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org.openscience.cdk.layout.chebi-ring-templates.smi Maven / Gradle / Ivy

# Layouts for use with the IdentityTemplateLibrary
# These layouts were generated from ring systems extracted from ChEBI release 118.
# The tools for creating this file are available in the 'cdk-build-util' 
# project (http://www.github.com/cdk/cdk-build-util).
O1C2CCCCC2NC3CCCCC13 |(.0,-1.5,;-1.3,-.75,;-2.6,-1.5,;-3.9,-.75,;-3.9,.75,;-2.6,1.5,;-1.3,.75,;.0,1.5,;1.3,.75,;2.6,1.5,;3.9,.75,;3.9,-.75,;2.6,-1.5,;1.3,-.75,)|
OC1N2C(C(O)C1C)C3C4CNC5CCCC(CC3C2(C)C)C54 |(4.96,.96,;3.74,.1,;2.32,.56,;1.44,-.65,;2.32,-1.86,;1.86,-3.29,;3.74,-1.4,;4.93,-2.3,;.0,-.19,;-1.32,-.94,;-1.74,-2.39,;-3.24,-2.44,;-3.75,-1.03,;-5.09,-.37,;-5.2,1.13,;-3.96,1.96,;-2.61,1.3,;-1.32,2.05,;.0,1.31,;1.44,1.77,;2.68,2.63,;1.34,3.27,;-2.56,-.16,)|
N1C2CCCCC2C3CCN4CC5CCCCC5CC4C13 |(-1.09,-1.98,;-2.58,-2.13,;-3.46,-3.35,;-4.95,-3.19,;-5.56,-1.82,;-4.68,-.61,;-3.19,-.77,;-2.08,.24,;-2.08,1.74,;-.78,2.49,;.52,1.74,;1.82,2.49,;3.12,1.74,;4.42,2.49,;5.72,1.74,;5.72,.24,;4.42,-.51,;3.12,.24,;1.82,-.51,;.52,.24,;-.78,-.51,)|
C1CCC2CC3CC4C(CCC5CC6CCCCC6CC54)CC3CC2C1 |(-7.09,-1.96,;-7.09,-.46,;-5.8,.29,;-4.5,-.46,;-3.2,.29,;-1.9,-.46,;-.6,.29,;.7,-.46,;.7,-1.96,;2.0,-2.71,;3.3,-1.96,;3.3,-.46,;4.6,.29,;4.6,1.79,;5.9,2.54,;5.9,4.04,;4.6,4.79,;3.3,4.04,;3.3,2.54,;2.0,1.79,;2.0,.29,;-.6,-2.71,;-1.9,-1.96,;-3.2,-2.71,;-4.5,-1.96,;-5.8,-2.71,)|
C1CC2CCC3CCC4CCC5CCC6CCC1C7C2C3C4C5C67 |(-2.6,-3.0,;-1.3,-3.75,;.0,-3.0,;1.3,-3.75,;2.6,-3.0,;2.6,-1.5,;3.9,-.75,;3.9,.75,;2.6,1.5,;2.6,3.0,;1.3,3.75,;.0,3.0,;-1.3,3.75,;-2.6,3.0,;-2.6,1.5,;-3.9,.75,;-3.9,-.75,;-2.6,-1.5,;-1.3,-.75,;.0,-1.5,;1.3,-.75,;1.3,.75,;.0,1.5,;-1.3,.75,)|
N1NNCN1 |(1.21,.39,;.75,-1.03,;-.75,-1.03,;-1.21,.39,;.0,1.28,)|
OC1C2CCCCC2C3CCCCC13 |(.01,-3.11,;.01,-1.61,;1.22,-.72,;2.69,-1.02,;3.68,.1,;3.21,1.51,;1.74,1.82,;.74,.7,;-.76,.7,;-1.75,1.82,;-3.21,1.51,;-3.68,.07,;-2.69,-1.04,;-1.21,-.73,)|
O1CC2CCCCC2C3CCC4CCCC4C3C1 |(.24,-2.93,;-1.25,-2.81,;-2.1,-1.57,;-3.56,-1.91,;-4.58,-.81,;-4.14,.62,;-2.67,.96,;-1.65,-.14,;-.26,.41,;-.26,1.91,;1.04,2.66,;2.34,1.91,;3.77,2.37,;4.65,1.16,;3.77,-.06,;2.34,.41,;1.04,-.34,;1.27,-1.83,)|
O1POC2COC(N3CN(C4CCCCC34)[Co]567N8C9CCC8CC%10N7C(CC%10)C%11N6C(CC%12N5C(CC%12)C9)C(CCCNCC1)C%11)C2 |(-4.53,-5.15,;-3.66,-6.82,;-3.66,-8.33,;-2.17,-8.17,;-1.16,-9.29,;.21,-8.68,;.05,-7.19,;1.16,-6.18,;1.01,-4.69,;2.38,-4.08,;3.38,-5.2,;4.88,-5.2,;5.63,-6.5,;4.88,-7.79,;3.38,-7.79,;2.63,-6.5,;.45,5.39,;2.01,6.84,;3.5,6.57,;4.2,7.94,;3.12,8.99,;1.78,8.31,;.5,9.05,;-.84,8.31,;-1.04,6.84,;-2.52,6.62,;-3.21,7.94,;-2.14,8.99,;-2.52,4.02,;-1.04,3.76,;-.84,2.3,;.5,1.54,;1.78,2.3,;2.01,3.76,;3.5,4.02,;4.2,2.66,;3.12,1.6,;4.26,5.3,;-2.14,1.6,;-3.44,.85,;-3.44,-.65,;-4.73,-1.4,;-4.73,-2.9,;-6.03,-3.65,;-6.03,-5.15,;-3.21,2.66,;-1.42,-6.88,)|
O1CCC2C1OC3CCC4C(OCC5CCCC54)C32 |(-4.86,-.74,;-4.86,.76,;-3.44,1.22,;-2.55,.01,;-3.44,-1.2,;-2.55,-2.42,;-1.13,-1.95,;.17,-2.7,;1.47,-1.95,;1.47,-.45,;.17,.3,;.17,1.8,;1.47,2.55,;2.77,1.8,;4.2,2.26,;5.08,1.05,;4.2,-.17,;2.77,.3,;-1.13,-.45,)|
OC1CCC2(C)C(C1)CC(O)C3C4CCC(C)C4(C)C(O)CC32 |(-5.67,-2.89,;-4.37,-2.14,;-4.37,-.64,;-3.07,.11,;-1.77,-.64,;-1.77,.86,;-1.77,-2.14,;-3.07,-2.89,;-.47,-2.89,;.83,-2.14,;2.12,-2.89,;.83,-.64,;2.12,.11,;3.55,-.35,;4.43,.86,;3.55,2.08,;3.94,3.52,;2.12,1.61,;2.12,3.11,;.83,2.36,;.83,3.86,;-.47,1.61,;-.47,.11,)|
OC1C(C)C2C3NC(CC4NC(CC5NC(CC6NC2C1C6C)C(C)C5C)C(C)C4C)C(C)C3C |(2.92,-6.01,;2.17,-4.72,;.29,-4.72,;-.46,-6.01,;-.1,-3.27,;-1.39,-2.51,;-1.61,-1.03,;-3.09,-.76,;-3.85,.53,;-3.09,1.82,;-1.61,2.08,;-1.39,3.56,;-.1,4.32,;1.23,3.56,;1.46,2.08,;2.94,1.82,;3.7,.53,;2.94,-.76,;1.46,-1.03,;1.23,-2.51,;2.56,-3.19,;3.66,-2.13,;5.11,-2.52,;3.66,3.18,;5.11,3.57,;2.56,4.25,;2.95,5.7,;-2.71,4.25,;-3.1,5.7,;-3.78,3.18,;-5.23,3.57,;-3.78,-2.13,;-5.23,-2.52,;-2.71,-3.19,;-2.71,-4.69,)|
CC1CCC2C(C1)C2(C)C |(3.33,1.35,;2.03,.6,;2.03,-.9,;.73,-1.65,;-.57,-.9,;-.57,.6,;.73,1.35,;-1.87,-.15,;-2.93,.91,;-2.93,-1.21,)|
S1SCC(C)C1 |(-.75,-1.5,;.75,-1.5,;1.21,-.07,;.0,.81,;.0,2.31,;-1.21,-.07,)|
O1CC2CCCCC2C3CCCCC13 |(-.46,-2.3,;-1.76,-1.56,;-1.76,-.05,;-3.06,.7,;-3.06,2.19,;-1.75,2.94,;-.45,2.19,;-.46,.7,;.83,-.05,;2.13,.7,;3.42,-.05,;3.42,-1.56,;2.13,-2.3,;.83,-1.56,)|
OC1CCCC(C)C1O |(2.6,.83,;1.3,.08,;1.3,-1.42,;-.0,-2.17,;-1.3,-1.42,;-1.3,.08,;-2.6,.83,;-.0,.83,;-.0,2.33,)|
N1C2CC3(NC(CC4NC(C(C)C4(C)C)C5(NC(CC1C(C)(C)C2C)C(C)C5(C)C)C)C(C)C3C)C |(1.67,1.43,;3.17,1.28,;3.73,-.1,;3.13,-1.49,;1.65,-1.7,;1.37,-3.17,;.03,-3.73,;-1.36,-3.22,;-1.59,-1.73,;-3.08,-1.51,;-3.76,-2.86,;-5.24,-3.1,;-2.69,-3.9,;-2.7,-5.4,;-1.25,-4.28,;-3.08,1.24,;-1.59,1.47,;-1.35,2.94,;.03,3.46,;1.35,2.9,;2.65,3.66,;2.65,5.17,;1.2,4.04,;3.77,2.66,;5.26,2.67,;-2.68,3.65,;-2.65,5.15,;-3.76,2.6,;-5.26,2.61,;-4.16,4.05,;-4.55,.85,;2.68,-3.87,;2.83,-5.36,;3.78,-2.85,;5.22,-2.46,;4.59,-1.09,)|
OC1NC(N)NC2N(C)CNC12 |(-.73,3.11,;-.71,1.63,;-2.03,.92,;-2.08,-.57,;-3.42,-1.28,;-.89,-1.37,;.59,-.67,;1.92,-1.18,;1.92,-2.68,;2.85,.0,;2.01,1.25,;.56,.83,)|
NC1CCCC(C)C1 |(2.27,-1.69,;.97,-.94,;-.33,-1.69,;-1.62,-.94,;-1.62,.56,;-.33,1.31,;-.33,2.81,;.97,.56,)|
P1CCCC1 |(-.0,1.28,;-1.21,.39,;-.75,-1.03,;.75,-1.03,;1.21,.39,)|
OC1CC(O)C(O)C(O)C1 |(-2.86,-1.65,;-1.56,-.9,;-.26,-1.65,;1.04,-.9,;2.34,-1.65,;1.04,.6,;2.34,1.35,;-.26,1.35,;-.26,2.85,;-1.56,.6,)|
N1CCCC2NCCCC12 |(-1.3,-1.5,;-2.6,-.75,;-2.6,.75,;-1.3,1.5,;.0,.75,;1.3,1.5,;2.6,.75,;2.6,-.75,;1.3,-1.5,;.0,-.75,)|
OC1N(NNC2CCCCC12)C |(.87,2.62,;.87,1.12,;2.17,.38,;2.17,-1.12,;.87,-1.88,;-.43,-1.12,;-1.73,-1.88,;-3.03,-1.12,;-3.03,.38,;-1.73,1.12,;-.43,.38,;3.46,1.12,)|
ClC1CC(OC1O)C |(1.43,-2.18,;.55,-.97,;-.95,-.97,;-1.42,.46,;-.2,1.34,;1.01,.46,;2.44,.92,;-2.84,.92,)|
OC1C(O)C(OC(O)(C)C1O)C |(-.22,-2.75,;-.22,-1.25,;-1.52,-.5,;-2.81,-1.25,;-1.52,1.0,;-.22,1.75,;1.08,1.0,;2.38,.25,;2.38,1.75,;1.08,-.5,;2.38,-1.25,;-2.81,1.75,)|
O1COC2CC3C(CN4CC3C5CCCCC45)CC12 |(-4.56,-1.52,;-5.44,-.31,;-4.56,.9,;-3.13,.44,;-1.83,1.19,;-.54,.44,;-.54,-1.06,;.64,-2.0,;2.1,-1.66,;.64,-.49,;.64,1.37,;2.1,1.04,;2.94,2.28,;4.44,2.17,;5.09,.82,;4.25,-.42,;2.75,-.31,;-1.83,-1.81,;-3.13,-1.06,)|
OC1CCC2(C)C(CCC3C4CCCC4(C)CCC32)C1 |(-5.32,-2.66,;-4.03,-1.91,;-4.03,-.41,;-2.73,.34,;-1.43,-.41,;-1.43,1.09,;-1.43,-1.91,;-.13,-2.66,;1.17,-1.91,;1.17,-.41,;2.47,.34,;3.9,-.13,;4.78,1.09,;3.9,2.3,;2.47,1.84,;2.47,3.34,;1.17,2.59,;-.13,1.84,;-.13,.34,;-2.73,-2.66,)|
O1CCC2CC3CCCCC3CC2C1 |(3.9,.75,;3.9,-.75,;2.6,-1.5,;1.3,-.75,;.0,-1.5,;-1.3,-.75,;-2.6,-1.5,;-3.9,-.75,;-3.9,.75,;-2.6,1.5,;-1.3,.75,;.0,1.5,;1.3,.75,;2.6,1.5,)|
ClC1CCCCC1 |(.0,2.57,;.0,1.07,;-1.3,.32,;-1.3,-1.18,;.0,-1.93,;1.3,-1.18,;1.3,.32,)|
OC1CCCC(N)C1 |(-2.6,1.12,;-1.3,.38,;-1.3,-1.12,;-.0,-1.88,;1.3,-1.12,;1.3,.38,;2.6,1.12,;-.0,1.12,)|
OC1CC2NC(C)CC2CC1O |(-3.35,1.5,;-2.05,.75,;-.75,1.5,;.55,.75,;1.98,1.21,;2.86,.0,;4.36,.0,;1.98,-1.21,;.55,-.75,;-.75,-1.5,;-2.05,-.75,;-3.35,-1.5,)|
OC1OC(C)C(O)C(O)C1N |(2.6,1.77,;1.3,1.02,;-.0,1.77,;-1.3,1.02,;-2.6,1.77,;-1.3,-.48,;-2.6,-1.23,;-.0,-1.23,;-.0,-2.73,;1.3,-.48,;2.6,-1.23,)|
O1C2CCC3CCCCC3C12 |(2.34,2.04,;2.36,.55,;2.36,-.95,;1.06,-1.71,;-.23,-.95,;-1.53,-1.71,;-2.83,-.95,;-2.83,.55,;-1.53,1.29,;-.23,.55,;1.06,1.29,)|
OC1CCCC(C)C1N |(2.02,-1.83,;.73,-1.08,;-.58,-1.85,;-1.87,-1.08,;-1.87,.42,;-.58,1.17,;-.59,2.66,;.73,.42,;2.02,1.17,)|
S1NCC2CCCCC12 |(1.71,-1.21,;2.6,-.0,;1.72,1.21,;.3,.75,;-1.0,1.5,;-2.31,.75,;-2.31,-.75,;-1.0,-1.5,;.29,-.75,)|
CC1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC43C |(6.5,2.26,;5.04,2.57,;4.43,3.94,;2.93,3.79,;2.62,2.32,;2.62,.82,;3.92,1.57,;3.92,.07,;2.62,-.68,;1.32,.07,;1.32,-1.43,;1.32,1.57,;.02,2.32,;-1.27,1.57,;-1.27,.07,;-2.57,-.68,;-2.57,.82,;-3.87,.07,;-5.17,-.68,;-5.17,-2.18,;-3.87,-2.93,;-5.17,-3.68,;-3.87,-4.43,;-2.57,-2.18,;-1.27,-2.93,;.02,-2.18,;.02,-.68,;.02,.82,)|
OC1CCC2(C)C(CCC3C4CCC(C)C4(C)C(O)CC32)C1 |(-5.57,-3.02,;-4.27,-2.27,;-4.27,-.77,;-2.97,-.02,;-1.68,-.77,;-1.68,.73,;-1.68,-2.27,;-.38,-3.02,;.92,-2.27,;.92,-.77,;2.22,-.02,;3.65,-.48,;4.53,.73,;3.65,1.95,;4.04,3.39,;2.22,1.48,;2.22,2.98,;.92,2.23,;.92,3.73,;-.38,1.48,;-.38,-.02,;-2.97,-3.02,)|
OC1CCCCC1(O)C |(2.31,.71,;1.01,-.04,;1.01,-1.54,;-.29,-2.29,;-1.59,-1.54,;-1.59,-.04,;-.29,.71,;.46,2.01,;-1.04,2.01,)|
C1CCC2C(C1)CC3CCC4CCCC5C6CCCCC6C2C3C45 |(-4.6,-2.34,;-4.6,-.84,;-3.3,-.09,;-2.0,-.84,;-2.0,-2.34,;-3.3,-3.09,;-.7,-3.09,;.59,-2.34,;1.89,-3.09,;3.19,-2.34,;3.19,-.84,;4.49,-.09,;4.49,1.41,;3.19,2.16,;1.89,1.41,;.59,2.16,;.59,3.66,;-.7,4.41,;-2.0,3.66,;-2.0,2.16,;-.7,1.41,;-.7,-.09,;.59,-.84,;1.89,-.09,)|
OB1OB2(O)OB(O)OB(O)(O1)O2 |(-3.4,.0,;-1.9,.0,;-1.33,1.39,;.06,1.96,;.06,3.46,;1.44,1.39,;2.02,.0,;3.52,.0,;1.44,-1.39,;.06,-1.96,;.06,-3.46,;-1.33,-1.39,;-.69,.0,)|
[Co]N1C2C(C)C3NC(CC4NC(C(C)C5NC(C)(C1C(C)C2(C)C)C(C)(C)C5C)C(C)(C)C4C)C(C)(C)C3C |(-.0,-.04,;-1.52,-1.59,;-1.29,-3.06,;-.0,-3.82,;-.0,-5.32,;1.32,-3.06,;1.55,-1.59,;3.03,-1.32,;3.79,-.03,;3.03,1.25,;1.55,1.52,;1.32,3.0,;-.0,3.75,;-.0,5.25,;-1.29,3.0,;-1.52,1.52,;-3.0,1.25,;-4.5,1.25,;-3.0,-1.32,;-3.68,-2.68,;-5.18,-2.68,;-2.62,-3.75,;-2.62,-5.25,;-3.92,-4.5,;-3.68,2.62,;-5.18,2.62,;-4.43,3.92,;-2.62,3.68,;-2.62,5.18,;2.65,3.68,;2.65,5.18,;3.95,4.43,;3.75,2.62,;5.25,2.62,;3.75,-2.68,;4.5,-3.98,;5.25,-2.68,;2.65,-3.75,;2.65,-5.25,)|
C1CC2CC3CCCC3(C1)C2 |(1.96,1.33,;2.61,-.02,;1.96,-1.37,;.5,-1.7,;-.68,-.77,;-2.1,-1.23,;-2.98,-.02,;-2.1,1.2,;-.68,.73,;.5,1.67,;1.02,.16,)|
O1CC2OCC3OB45OC(COC6COC(CCCCCC7OC3(O4)CCC7)C6)C8(OC(CCCCCC1C2)CCC8)O5 |(3.52,-6.57,;3.98,-5.14,;2.77,-4.26,;3.52,-2.96,;3.7,-1.26,;2.03,-.53,;.73,-1.28,;-.02,.02,;-.73,1.28,;-2.04,.53,;-3.7,1.26,;-3.52,2.96,;-2.77,4.26,;-3.98,5.14,;-3.52,6.57,;-2.02,6.57,;-.65,7.18,;.57,6.3,;1.94,6.91,;3.15,6.03,;3.6,4.62,;2.84,3.04,;1.73,2.02,;2.06,.54,;.76,1.28,;3.51,.08,;4.62,1.1,;4.29,2.58,;-1.55,5.14,;-2.02,-.59,;-1.74,-2.01,;-2.84,-3.04,;-3.6,-4.62,;-3.15,-6.02,;-1.94,-6.91,;-.57,-6.29,;.65,-7.18,;2.02,-6.57,;1.55,-5.14,;-4.3,-2.58,;-4.62,-1.1,;-3.51,-.08,;-.76,-1.28,)|
O1CCC2OC3CCCCC3CC2C1 |(3.9,.75,;3.9,-.75,;2.6,-1.5,;1.3,-.75,;-.0,-1.5,;-1.3,-.75,;-2.6,-1.5,;-3.9,-.75,;-3.9,.75,;-2.6,1.5,;-1.3,.75,;-.0,1.5,;1.3,.75,;2.6,1.5,)|
N1CN2CCCC32NCNC3C1 |(-2.21,1.47,;-2.21,-.03,;-.91,-.78,;-1.59,-2.51,;-.06,-2.53,;.79,-1.53,;.39,-.03,;1.81,-.42,;2.7,.72,;1.81,1.94,;.39,1.47,;-.91,2.22,)|
CC1CCCC(C)CCC(C)(C)CCC1 |(1.25,-3.73,;1.25,-2.23,;-.08,-1.52,;-1.41,-2.22,;-2.69,-1.43,;-2.63,.07,;-3.92,.81,;-1.3,.77,;-.84,2.2,;.67,2.2,;1.42,3.5,;2.17,2.2,;1.13,.77,;2.46,.06,;2.52,-1.44,)|
N1(C)CCN(C)CCN(C)CCN(C)CC1 |(-1.5,-.0,;-2.8,.75,;-2.25,1.3,;-1.3,2.25,;.0,1.5,;.75,2.8,;1.3,2.25,;2.25,1.3,;1.5,-.0,;2.8,-.75,;2.25,-1.3,;1.3,-2.25,;.0,-1.5,;-.75,-2.8,;-1.3,-2.25,;-2.25,-1.3,)|
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OC1CCC2(C)C3CCC4(C)C(C)CCC4C3CC5OC52C1 |(-5.44,-2.68,;-4.14,-1.93,;-4.14,-.43,;-2.84,.32,;-1.54,-.43,;-1.54,1.07,;-.24,.32,;-.24,1.82,;1.06,2.57,;2.36,1.82,;2.36,3.32,;3.78,2.28,;3.78,3.78,;4.67,1.07,;3.78,-.14,;2.36,.32,;1.06,-.43,;1.06,-1.93,;-.24,-2.68,;-1.54,-3.43,;-1.54,-1.93,;-2.84,-2.68,)|
C1CC2CCC3C(CCC4CCC5CC5C43)C2C1 |(4.76,1.12,;3.88,2.34,;2.46,1.88,;1.16,2.62,;-.14,1.88,;-.14,.38,;1.16,-.38,;1.16,-1.88,;-.14,-2.62,;-1.44,-1.88,;-2.74,-2.62,;-4.04,-1.88,;-4.04,-.38,;-4.04,1.12,;-2.74,.38,;-1.44,-.38,;2.46,.38,;3.88,-.09,)|
OC1CCC(S)CC1O |(-.29,-2.83,;-.29,-1.33,;-1.59,-.58,;-1.59,.92,;-.29,1.67,;-.29,3.17,;1.01,.92,;1.01,-.58,;2.31,-1.33,)|
FC1C(O)OC(C)C(O)C1O |(2.6,-1.23,;1.3,-.48,;1.3,1.02,;2.6,1.77,;-.0,1.77,;-1.3,1.02,;-2.6,1.77,;-1.3,-.48,;-2.6,-1.23,;-.0,-1.23,;-.0,-2.73,)|
N1C2CCCCC2C34CC5N6CCC(CC6C13)C5C4 |(-1.18,-1.07,;-2.49,-.34,;-3.76,-1.07,;-5.03,-.34,;-5.03,1.16,;-3.76,1.89,;-2.49,1.16,;.09,1.16,;1.36,1.89,;2.63,1.16,;2.63,-.34,;3.94,-1.07,;3.9,-2.58,;2.63,-3.27,;1.36,-2.54,;1.36,-1.07,;.09,-.34,;4.05,2.81,;-.26,2.81,)|
O1C(C)C1(C)C |(-.07,1.58,;-.81,.28,;-2.08,-.44,;.69,.24,;1.99,-.5,;.29,-1.16,)|
O1CC2CC1C3NCC4CCC2C43 |(-.56,-.84,;.54,-.84,;1.29,-1.77,;-.01,-2.52,;-1.3,-1.77,;-1.3,-.27,;-2.27,.89,;-1.46,2.18,;.01,1.8,;1.48,2.17,;2.28,.88,;1.29,-.27,;.01,.37,)|
S1[Fe]2S[Fe]3S[Fe]1S23 |(-1.12,.38,;-.29,1.21,;1.21,1.21,;1.21,-.29,;.38,-1.12,;-1.12,-1.12,;-.29,-.29,)|
*C1OC(C)C(O)C(O)C1O |(2.6,1.77,;1.3,1.02,;.0,1.77,;-1.3,1.02,;-2.6,1.77,;-1.3,-.48,;-2.6,-1.23,;.0,-1.23,;.0,-2.73,;1.3,-.48,;2.6,-1.23,)|
N1CC2CCCCC2C1 |(2.6,.0,;1.72,1.21,;.29,.75,;-1.01,1.5,;-2.31,.75,;-2.31,-.75,;-1.01,-1.5,;.29,-.75,;1.72,-1.21,)|
O1CNC2NCCCC12 |(1.73,-1.2,;2.6,.02,;1.71,1.23,;.29,.75,;-1.02,1.49,;-2.31,.73,;-2.3,-.77,;-1.0,-1.51,;.3,-.75,)|
CC1CCC2C(C)(C)CCCC2(C)C1C |(3.81,1.4,;2.51,.65,;2.51,-.85,;1.21,-1.6,;-.09,-.85,;-1.39,-1.6,;-1.39,-3.1,;-2.69,-2.35,;-2.69,-.85,;-2.69,.65,;-1.39,1.4,;-.09,.65,;-.09,2.15,;1.21,1.4,;1.21,2.9,)|
N1CCCCCCCCCCCCCCCCCC2CCCC3CC1CCC23 |(4.06,-1.51,;4.07,-.04,;5.34,.67,;5.36,2.13,;4.12,2.88,;4.15,4.42,;2.82,5.23,;1.51,4.42,;.19,5.2,;-1.13,4.42,;-2.45,5.2,;-3.77,4.42,;-3.73,2.89,;-5.06,2.08,;-5.02,.53,;-6.57,-2.22,;-5.18,-5.86,;-1.05,-5.87,;-1.05,-4.4,;-2.33,-3.51,;-2.28,-2.07,;-1.01,-1.38,;.25,-2.19,;1.51,-1.48,;2.78,-2.22,;2.78,-3.69,;1.48,-4.42,;.23,-3.66,)|
OC1NC(NC(C)C1)C |(2.6,-1.5,;1.3,-.75,;.0,-1.5,;-1.3,-.75,;-1.3,.75,;.0,1.5,;.0,3.0,;1.3,.75,;-2.6,-1.5,)|
O1CCCC2CCCCC12 |(1.3,1.5,;2.6,.75,;2.6,-.75,;1.3,-1.5,;.0,-.75,;-1.3,-1.5,;-2.6,-.75,;-2.6,.75,;-1.3,1.5,;.0,.75,)|
ClC1CCC(N)CC1 |(-2.6,-1.5,;-1.3,-.75,;-1.3,.75,;.0,1.5,;1.3,.75,;2.6,1.5,;1.3,-.75,;.0,-1.5,)|
ClC1CCC2N(C)C(O)OC2C1 |(-3.76,-1.6,;-2.54,-.84,;-2.54,.66,;-1.24,1.41,;.06,.66,;1.49,1.12,;2.0,2.53,;2.37,-.09,;3.84,-.11,;1.49,-1.3,;.06,-.84,;-1.24,-1.59,)|
C1CCC2CC3CC4CC5CCCCC5CC4CC3CC2C1 |(-6.5,.75,;-6.5,-.75,;-5.2,-1.5,;-3.9,-.75,;-2.6,-1.5,;-1.3,-.75,;-.0,-1.5,;1.3,-.75,;2.6,-1.5,;3.9,-.75,;5.2,-1.5,;6.5,-.75,;6.5,.75,;5.2,1.5,;3.9,.75,;2.6,1.5,;1.3,.75,;-.0,1.5,;-1.3,.75,;-2.6,1.5,;-3.9,.75,;-5.2,1.5,)|
ClC1C(Cl)C(O)C(Cl)C(Cl)C1O |(2.6,-1.5,;1.3,-.75,;1.3,.75,;2.6,1.5,;.0,1.5,;.0,3.0,;-1.3,.75,;-2.6,1.5,;-1.3,-.75,;-2.6,-1.5,;.0,-1.5,;.0,-3.0,)|
OC1CC2OC3C(C)C(O)C(C)C(O)C3C2(C)C(O)C1C |(5.26,-1.68,;3.96,-.93,;2.66,-1.68,;1.36,-.93,;.06,-1.68,;-1.24,-.93,;-2.54,-1.68,;-2.54,-3.18,;-3.83,-.93,;-5.13,-1.68,;-3.83,.57,;-5.13,1.32,;-2.54,1.32,;-2.54,2.82,;-1.24,.57,;1.36,.57,;1.36,2.07,;2.66,1.32,;2.66,2.82,;3.96,.57,;5.26,1.32,)|
OC1CCCC2C(C)C3C(O)C4C(N)C(O)C(C)C(O)C4(O)C(O)C3C(O)C12 |(-4.59,2.81,;-4.59,1.31,;-5.89,.56,;-5.89,-.94,;-4.59,-1.69,;-3.29,-.94,;-2.0,-1.69,;-2.0,-3.19,;-.7,-.94,;.6,-1.69,;.6,-3.19,;1.9,-.94,;3.2,-1.69,;3.2,-3.19,;4.5,-.94,;5.8,-1.69,;4.5,.56,;5.8,1.31,;3.2,1.31,;3.2,2.81,;1.9,.56,;1.9,2.06,;.6,1.31,;.6,2.81,;-.7,.56,;-2.0,1.31,;-2.0,2.81,;-3.29,.56,)|
OC1NOCC1N |(.38,2.26,;.38,.76,;1.59,-.12,;1.13,-1.55,;-.37,-1.55,;-.84,-.12,;-2.26,.34,)|
OC1CC2C(O)CC3C(CCC4(C)C(C)CCC34O)C2(C)CC1O |(-5.38,-2.63,;-4.06,-1.88,;-2.78,-2.63,;-1.49,-1.88,;-.18,-2.63,;-.2,-4.02,;1.09,-1.8,;1.12,-.37,;-.19,.37,;-.2,1.89,;1.11,2.65,;2.47,1.9,;2.47,3.4,;3.9,2.36,;3.9,3.86,;4.78,1.14,;3.89,-.07,;2.47,.38,;2.47,-1.12,;-1.49,-.39,;-1.5,1.13,;-2.78,.35,;-4.06,-.39,;-5.37,.38,)|
OC1CCC(O)C(O)C1 |(-.34,-3.01,;-.33,-1.62,;-1.58,-.95,;-1.59,.56,;-.27,1.31,;-.24,2.79,;1.03,.57,;2.33,1.28,;1.01,-.93,)|
O1[Pt]OCC1 |(-1.21,.39,;.0,1.28,;1.21,.39,;.75,-1.03,;-.75,-1.03,)|
NC1NCNC1C |(-2.02,-1.05,;-.59,-.58,;.62,-1.46,;1.84,-.58,;1.37,.84,;-.12,.84,;-1.11,1.98,)|
C1CCC2CC3CC4CC5CC6CC7CCCCC7CC6CC5CC4CC3CC2C1 |(9.09,-.75,;9.09,.75,;7.79,1.5,;6.5,.75,;5.2,1.5,;3.9,.75,;2.6,1.5,;1.3,.75,;.0,1.5,;-1.3,.75,;-2.6,1.5,;-3.9,.75,;-5.2,1.5,;-6.5,.75,;-7.79,1.5,;-9.09,.75,;-9.09,-.75,;-7.79,-1.5,;-6.5,-.75,;-5.2,-1.5,;-3.9,-.75,;-2.6,-1.5,;-1.3,-.75,;.0,-1.5,;1.3,-.75,;2.6,-1.5,;3.9,-.75,;5.2,-1.5,;6.5,-.75,;7.79,-1.5,)|
OC1O[Gd]234567OC(O)CN7(CCN5(CCN4(CC(O)O2)CC(O3)N)C1)CC(O6)N |(1.8,4.63,;1.41,3.18,;2.47,2.12,;-.42,-.16,;3.99,1.83,;3.82,.51,;4.78,-.12,;2.46,-.16,;1.08,-.16,;1.83,1.14,;.88,2.09,;-.42,1.34,;-1.72,2.09,;-2.67,1.14,;-1.92,-.16,;-3.39,.11,;-4.65,-.72,;-5.72,-.09,;-4.65,-1.95,;-2.67,-1.46,;-1.72,-2.41,;-.42,-1.66,;-1.71,-3.63,;-.04,2.79,;1.0,-1.79,;2.03,-2.51,;1.26,-3.87,;3.33,-2.11,)|
OC1OC2CC(O)C(O)CC2CC1 |(4.2,-1.38,;2.9,-.63,;1.61,-1.39,;.3,-.64,;-1.01,-1.39,;-2.3,-.64,;-3.58,-1.39,;-2.3,.86,;-3.6,1.61,;-1.01,1.61,;.3,.86,;1.58,1.62,;2.9,.89,)|
O1CC2C3OC3CC14C2CC56CCC(CCC54)C6 |(-1.05,2.44,;-2.74,.02,;-2.33,-1.26,;-3.63,-.51,;-5.05,.11,;-3.63,.97,;-2.33,1.72,;-1.05,.97,;-1.05,-.51,;.25,-1.26,;1.53,-.51,;1.83,-2.01,;3.83,-2.01,;4.13,-.51,;4.13,.97,;2.83,1.72,;1.53,.97,;2.83,-1.26,)|
O1CC2CC3CC4C5COC(CC5)C4CC3CC2C6OCCC16 |(5.01,-1.1,;3.71,-1.85,;2.42,-1.1,;1.12,-1.85,;-.18,-1.1,;-1.48,-1.85,;-2.78,-1.1,;-4.08,-1.85,;-6.2,-1.34,;-6.2,.86,;-4.08,1.15,;-5.38,.4,;-5.38,-1.1,;-2.78,.4,;-1.48,1.15,;-.18,.4,;1.12,1.15,;2.42,.4,;3.71,1.15,;4.03,2.62,;5.52,2.77,;6.13,1.4,;5.01,.4,)|
N1(C)CCCC1 |(.0,.81,;.0,2.31,;1.21,-.07,;.75,-1.5,;-.75,-1.5,;-1.21,-.07,)|
C1CC2CCCC3C(CCC4CC43)C2C1 |(-3.8,-.03,;-3.32,-1.45,;-1.82,-1.43,;-.97,-2.67,;.52,-2.78,;1.54,-1.68,;1.32,-.19,;.02,.56,;.02,2.06,;1.32,2.81,;2.62,2.06,;3.92,1.31,;2.62,.56,;-1.38,.01,;-2.6,.87,)|
CC1CCC2CCCCC2C1 |(3.54,1.36,;2.24,.61,;2.24,-.89,;.94,-1.64,;-.35,-.89,;-1.65,-1.64,;-2.95,-.89,;-2.95,.61,;-1.65,1.36,;-.35,.61,;.94,1.36,)|
N1CNC2NCCC2C1 |(-2.27,.78,;-2.27,-.78,;-1.03,-1.5,;.29,-.78,;1.7,-1.19,;2.61,.01,;1.7,1.18,;.29,.78,;-1.03,1.5,)|
NC12CC3CC(CC(C3)C1)C2 |(.29,3.29,;.29,1.79,;-1.01,1.04,;-1.01,-.46,;-1.82,-1.94,;-.52,-1.33,;.85,-1.94,;1.59,-.46,;.29,-1.21,;1.59,1.04,;-.52,.17,)|
O1COC2C1CC3CCNC4CC5CCCCC5C2C43 |(-3.05,2.71,;-3.94,1.51,;-3.06,.29,;-1.63,.74,;-1.62,2.25,;-.32,3.0,;.98,2.25,;2.27,3.0,;3.58,2.24,;3.57,.73,;2.25,-.01,;2.25,-1.51,;.97,-2.25,;.97,-3.74,;-.32,-4.48,;-1.61,-3.73,;-1.61,-2.24,;-.32,-1.51,;-.32,-.01,;.97,.74,)|
C1CCC2C(C1)CCC3CCCCC32 |(3.06,2.2,;1.76,2.95,;.46,2.2,;.46,.7,;1.76,-.05,;3.06,.7,;1.76,-1.55,;.46,-2.3,;-.83,-1.55,;-2.13,-2.3,;-3.43,-1.55,;-3.43,-.05,;-2.13,.7,;-.83,-.05,)|
O1CCCCC1 |(-.0,-1.5,;1.3,-.75,;1.3,.75,;-.0,1.5,;-1.3,.75,;-1.3,-.75,)|
N1CNC2NCNC3NCNC1N23 |(-2.6,.0,;-2.6,-1.5,;-1.3,-2.25,;.0,-1.5,;1.3,-2.25,;2.6,-1.5,;2.6,.0,;1.3,.75,;1.3,2.25,;.0,3.0,;-1.3,2.25,;-1.3,.75,;.0,.0,)|
O1C2CCC(CC2)CC3NCCC4CCC(OC5CCCC6CCNC(CC7CCCC1C7)C56)CC34 |(.0,-1.94,;1.3,-3.44,;2.6,-4.19,;3.9,-3.44,;3.9,-1.94,;2.6,-1.19,;1.3,-1.94,;5.2,-1.19,;5.2,.31,;6.5,1.06,;6.5,2.56,;5.2,3.31,;3.9,2.56,;2.6,3.31,;1.3,2.56,;1.3,1.06,;.0,.31,;-2.6,.31,;-1.3,1.06,;-1.3,2.56,;-2.6,3.31,;-3.9,2.56,;-5.2,3.31,;-6.5,2.56,;-6.5,1.06,;-5.2,.31,;-5.2,-1.19,;-3.9,-1.94,;-3.9,-3.44,;-2.6,-4.19,;-1.3,-3.44,;-1.3,-1.94,;-2.6,-1.19,;-3.9,1.06,;2.6,.31,;3.9,1.06,)|
OC1NCNC1C |(-.85,2.14,;-.53,.68,;-1.51,-.46,;-.78,-1.77,;.68,-1.44,;.83,.05,;2.15,.8,)|
C1CC1 |(-.75,-.43,;.0,.87,;.75,-.43,)|
OC1OC2CC3(C)CCCC(C)C3CC2C1C |(5.08,.17,;3.59,.18,;2.71,1.4,;1.27,.95,;-.02,1.71,;-1.32,.96,;-1.34,2.46,;-2.62,1.71,;-3.92,.96,;-3.92,-.54,;-2.62,-1.29,;-2.61,-2.79,;-1.33,-.54,;-.04,-1.29,;1.26,-.56,;2.69,-1.03,;3.15,-2.46,)|
C1CC2CC3CCC2CC13 |(2.35,-1.06,;1.37,-2.19,;.01,-1.6,;-1.47,-1.72,;-1.58,-.23,;-2.36,1.04,;-1.4,2.18,;.0,1.62,;1.49,1.73,;1.59,.24,)|
[As]12[As]3[As]1[As]23 |(-.94,-.17,;.83,-.02,;-.07,1.05,;.18,-.86,)|
OC1NC2CSC(C)C2N1 |(-.23,3.65,;-.23,2.15,;-1.43,1.25,;-.98,-.17,;-1.51,-1.6,;-.31,-2.5,;.97,-1.6,;2.24,-2.27,;.52,-.17,;.97,1.25,)|
N1CCC1C |(-1.16,.45,;-1.16,-1.05,;.34,-1.05,;.34,.45,;1.64,1.2,)|
N1CNC2CCCC3CCCC1C23 |(-1.3,2.25,;-.0,3.0,;1.3,2.25,;1.3,.75,;2.6,.0,;2.6,-1.5,;1.3,-2.25,;-.0,-1.5,;-1.3,-2.25,;-2.6,-1.5,;-2.6,.0,;-1.3,.75,;-.0,.0,)|
OC1CN(C)C1C |(-2.53,-.47,;-1.03,-.47,;.03,-1.53,;1.09,-.47,;2.39,.28,;.03,.59,;.03,2.09,)|
ClC1CC2C(C1Cl)C3(Cl)C(Cl)C(Cl)C2(Cl)C3(Cl)Cl |(4.35,-.14,;2.85,-.14,;1.97,-1.36,;.54,-.89,;.54,.61,;1.97,1.07,;2.36,2.52,;-.76,1.36,;-.76,2.86,;-2.06,.61,;-3.36,1.36,;-2.06,-.89,;-3.36,-1.64,;-.76,-1.64,;-.76,-3.14,;-.14,-.2,;-1.32,-.17,;.74,-.16,)|
CC1CC23CC1CCC3C4(C)CCCC(C)(C)C4C2C |(4.42,-2.48,;3.43,-1.45,;1.43,-1.45,;1.13,.04,;2.43,-.7,;3.73,.04,;3.73,1.53,;2.43,2.28,;1.13,1.53,;-1.45,1.53,;-1.05,2.98,;-2.73,2.28,;-4.03,1.53,;-4.03,.04,;-2.73,-.7,;-2.19,-2.44,;-3.92,-1.66,;-1.45,.04,;-.15,-.7,;-.14,-2.23,)|
O1CCCNCCNCCC2CCCC12 |(-1.0,-.07,;-2.3,-.82,;-2.3,-2.32,;-1.0,-3.07,;.3,-2.32,;1.6,-3.07,;2.9,-2.32,;2.9,-.82,;1.6,-.07,;1.6,1.43,;.3,2.18,;-.01,3.64,;-1.5,3.8,;-2.11,2.43,;-1.0,1.43,)|
OC1CCC2(C)C3CCC4(C)C(C)CCC4C3CCC2C1(C)C |(-5.26,-2.48,;-3.96,-1.73,;-3.96,-.23,;-2.66,.52,;-1.36,-.23,;-1.36,1.27,;-.06,.52,;-.06,2.02,;1.24,2.77,;2.54,2.02,;2.54,3.52,;3.96,2.48,;3.96,3.98,;4.85,1.27,;3.96,.05,;2.54,.52,;1.24,-.23,;1.24,-1.73,;-.06,-2.48,;-1.36,-1.73,;-2.66,-2.48,;-3.41,-3.78,;-1.91,-3.78,)|
O1BOBOB1 |(.0,1.5,;-1.3,.75,;-1.3,-.75,;.0,-1.5,;1.3,-.75,;1.3,.75,)|
S1SSSS1 |(.0,1.28,;-1.21,.39,;-.75,-1.03,;.75,-1.03,;1.21,.39,)|
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N1(C)CCCC(C)C1 |(-.32,-1.31,;-.33,-2.81,;-1.62,-.56,;-1.62,.94,;-.32,1.68,;.98,.94,;2.26,1.68,;.98,-.56,)|
ClC1CCC(O)CC1 |(-2.6,-1.5,;-1.3,-.75,;-1.3,.75,;-.0,1.5,;1.3,.75,;2.6,1.5,;1.3,-.75,;.0,-1.5,)|
S1BSB1 |(-.75,-.75,;.75,-.75,;.75,.75,;-.75,.75,)|
CC1CCCN1(C)C |(2.33,-.11,;.9,.36,;.44,1.78,;-1.06,1.78,;-1.53,.36,;-.31,-.53,;-1.13,-1.78,;.37,-1.86,)|
N1CCNC2CCCCC2C1 |(-2.35,1.35,;-3.0,.0,;-2.35,-1.35,;-.89,-1.69,;.28,-.75,;1.58,-1.5,;2.88,-.75,;2.88,.75,;1.58,1.5,;.28,.75,;-.89,1.69,)|
O1CC2OC3OCC(OC4OCC(OC5OCC(OC6OCC(OC7OCC(OC8OCC(OC1CC2)CC8)CC7)CC6)CC5)CC4)CC3 |(5.81,-.1,;5.04,-1.39,;5.81,-2.68,;5.04,-3.96,;3.75,-4.65,;2.55,-3.96,;1.26,-4.65,;1.26,-6.11,;-.03,-6.88,;-1.31,-6.19,;-1.31,-4.65,;-2.6,-3.96,;-3.8,-4.65,;-5.08,-3.96,;-5.86,-2.68,;-5.08,-1.39,;-5.86,-.1,;-7.31,-.1,;-8.09,1.18,;-7.31,2.38,;-5.86,2.38,;-5.08,3.67,;-5.86,4.96,;-5.08,6.24,;-1.31,6.24,;-.54,4.96,;.92,4.96,;1.6,6.24,;5.04,6.24,;5.81,4.96,;5.04,3.67,;5.81,2.38,;7.26,2.38,;8.04,1.18,;7.26,-.1,;8.04,-1.39,;7.26,-2.68,;8.04,3.67,;7.26,4.96,;.92,7.53,;-.54,7.53,;-7.31,4.96,;-8.09,3.67,;-8.09,-1.39,;-7.31,-2.68,;-3.8,-6.19,;-2.6,-6.88,;2.55,-6.88,;3.75,-6.11,)|
C1C2C3C4CC5C3C1C5C24 |(-2.33,-1.51,;-.4,-.25,;-.4,1.25,;1.1,1.25,;2.32,1.5,;.4,.25,;-1.1,.25,;-1.1,-1.25,;.4,-1.25,;1.1,-.25,)|
CC1(C)CCC1 |(.25,1.75,;.25,.25,;1.75,.25,;-1.25,.25,;-1.25,-1.25,;.25,-1.25,)|
N1CC2CCCC3CCCC1C23 |(-.91,-2.46,;.91,-2.46,;1.3,-1.01,;2.6,-.26,;2.6,1.24,;1.3,1.99,;-.0,1.24,;-1.3,1.99,;-2.6,1.24,;-2.6,-.26,;-1.3,-1.01,;-.0,-.26,)|
S1C2CCCCC2N(C)C3CCCCC13 |(-.0,-1.7,;1.3,-.95,;2.6,-1.7,;3.9,-.95,;3.9,.55,;2.6,1.3,;1.3,.55,;-.0,1.3,;-.0,2.8,;-1.3,.55,;-2.6,1.3,;-3.9,.55,;-3.9,-.95,;-2.6,-1.7,;-1.3,-.95,)|
B123B45B16B27B34B567 |(.0,.87,;-.75,.43,;.75,.43,;.75,-.43,;-.75,-.43,;.0,-.87,)|
OC1C(O)C(N)C(OC1C)N |(-2.6,-1.23,;-1.3,-.48,;-.0,-1.23,;-.0,-2.73,;1.3,-.48,;2.6,-1.23,;1.3,1.02,;-.0,1.77,;-1.3,1.02,;-2.6,1.77,;2.6,1.77,)|
OC1CC(C)C(C)C(C)(C)C1 |(-2.83,-1.87,;-1.53,-1.12,;-.24,-1.87,;1.06,-1.12,;2.36,-1.87,;1.06,.38,;2.36,1.13,;-.24,1.13,;.51,2.43,;-.99,2.43,;-1.53,.38,)|
O1CCCCCCCCCCCCCCCNC2CCC3C(CCC4OC1CC43)C2 |(-5.74,-4.36,;-5.74,-2.87,;-4.44,-2.1,;-4.43,-.62,;-3.14,.12,;-3.12,1.58,;-1.84,2.31,;-1.84,3.77,;-.58,4.5,;.68,3.77,;1.96,4.52,;3.24,3.78,;4.52,4.55,;5.85,3.83,;5.84,2.31,;4.54,1.57,;4.57,.07,;3.28,-.7,;3.31,-2.21,;2.01,-3.0,;.67,-2.27,;.66,-.75,;-.68,.0,;-2.0,-.77,;-1.97,-2.31,;-3.06,-3.01,;-2.77,-4.35,;-1.08,-4.34,;-.64,-3.05,;1.96,.04,)|
OC1NC(O)C(N)N1 |(2.82,1.07,;1.41,.4,;.94,-1.02,;-.56,-1.02,;-1.51,-2.2,;-1.02,.41,;-2.27,1.07,;.19,1.29,)|
SC1CCC2C(S)CC(S)CC2C1 |(4.0,1.5,;2.7,.75,;2.7,-.75,;1.4,-1.5,;.1,-.75,;-1.2,-1.5,;-1.2,-3.0,;-2.5,-.75,;-2.5,.75,;-3.8,1.5,;-1.2,1.5,;.1,.75,;1.4,1.5,)|
S1SC23N(CC1NC2)C4CCCCC4C3 |(1.73,-.1,;1.84,1.2,;.58,1.21,;.58,-.29,;1.88,-1.04,;3.18,-.29,;3.18,1.2,;1.88,1.96,;-.84,-.76,;-1.45,-2.13,;-2.95,-2.29,;-3.83,-1.07,;-3.22,.3,;-1.73,.46,;-.84,1.67,)|
C1CCC2C(C1)C3CCCC4CCC5CCCC2C5C43 |(-1.49,4.09,;-2.79,3.34,;-2.79,1.84,;-1.49,1.09,;-.2,1.84,;-.2,3.34,;1.1,1.09,;2.4,1.84,;3.7,1.09,;3.7,-.41,;2.4,-1.16,;2.4,-2.66,;1.1,-3.41,;-.2,-2.66,;-1.49,-3.41,;-2.79,-2.66,;-2.79,-1.16,;-1.49,-.41,;-.2,-1.16,;1.1,-.41,)|
O1[U]OP1 |(.0,1.06,;-1.06,.0,;.0,-1.06,;1.06,.0,)|
O1CCCC2OC3CCCCC3OC12 |(2.69,1.51,;3.96,.76,;3.96,-.81,;2.69,-1.49,;1.34,-.81,;-.09,-1.49,;-1.36,-.74,;-2.64,-1.49,;-3.91,-.74,;-3.91,.76,;-2.64,1.51,;-1.36,.76,;-.09,1.51,;1.34,.76,)|
OC1NC2CCCCC2C1O |(3.56,.24,;2.04,.24,;1.14,1.44,;-.29,1.03,;-1.6,1.74,;-2.86,1.03,;-2.86,-.55,;-1.6,-1.26,;-.29,-.55,;1.14,-.96,;1.61,-2.4,)|
SC1CCC2NC(N)NC2C1 |(-3.65,-1.36,;-2.35,-.61,;-2.35,.89,;-1.05,1.64,;.25,.89,;1.67,1.35,;2.56,.14,;4.06,.14,;1.67,-1.08,;.25,-.61,;-1.05,-1.36,)|
O1CC2CCCCC2CC3CCCCC13 |(.75,1.97,;-.75,1.97,;-1.69,.8,;-3.12,1.24,;-4.22,.22,;-3.88,-1.24,;-2.45,-1.68,;-1.35,-.66,;-.0,-1.31,;1.35,-.66,;2.45,-1.68,;3.88,-1.24,;4.22,.22,;3.12,1.24,;1.69,.8,)|
OC1OC(C)CC(O)C1C |(-2.34,-1.65,;-1.04,-.9,;.26,-1.65,;1.56,-.9,;2.86,-1.65,;1.56,.6,;.26,1.35,;.26,2.85,;-1.04,.6,;-2.34,1.35,)|
OC1CCCC2C(O)CC(NC12)C |(-1.6,-2.88,;-1.6,-1.39,;-2.9,-.63,;-2.9,.86,;-1.6,1.61,;-.3,.87,;1.0,1.61,;1.01,3.12,;2.3,.87,;2.3,-.64,;1.0,-1.38,;-.3,-.64,;3.6,-1.39,)|
OC1C(C)C(C)C2OC(C)(C)CCC2C1C |(-3.73,-1.59,;-2.44,-.84,;-2.44,.66,;-3.73,1.41,;-1.14,1.41,;-1.14,2.91,;.16,.66,;1.46,1.41,;2.76,.66,;4.06,1.41,;4.06,-.09,;2.76,-.84,;1.46,-1.59,;.16,-.84,;-1.14,-1.59,;-1.14,-3.09,)|
O1CCC2C1OC3CCC4CC5CCCCC5OC4C32 |(4.81,-1.35,;4.81,.15,;3.38,.61,;2.5,-.6,;3.38,-1.82,;2.5,-3.03,;1.07,-2.57,;-.23,-3.32,;-1.53,-2.57,;-1.53,-1.07,;-2.83,-.32,;-2.83,1.18,;-4.12,1.93,;-4.12,3.43,;-2.83,4.18,;-1.53,3.43,;-1.53,1.93,;-.23,1.18,;-.23,-.32,;1.07,-1.07,)|
N1NCCC1 |(.0,1.28,;1.21,.39,;.75,-1.03,;-.75,-1.03,;-1.21,.39,)|
N1CNC2NC3CCCCC3CC2C1 |(3.9,.75,;3.9,-.75,;2.6,-1.5,;1.3,-.75,;-.0,-1.5,;-1.3,-.75,;-2.6,-1.5,;-3.9,-.75,;-3.9,.75,;-2.6,1.5,;-1.3,.75,;-.0,1.5,;1.3,.75,;2.6,1.5,)|
C1CC2CC2C1 |(1.3,-.74,;.0,-1.5,;-1.27,-.75,;-1.31,.74,;-.01,1.5,;1.29,.76,)|
N1CCC2CCNCC2C1 |(-2.6,.75,;-2.6,-.75,;-1.3,-1.5,;.0,-.75,;1.3,-1.5,;2.6,-.75,;2.6,.75,;1.3,1.5,;.0,.75,;-1.3,1.5,)|
OC1CC(C)C(C)CC1O |(-.01,-3.01,;-.01,-1.52,;1.31,-.76,;1.31,.76,;2.6,1.51,;-.01,1.5,;-.01,3.0,;-1.3,.76,;-1.3,-.76,;-2.6,-1.49,)|
C1CCC2C(C1)C3CCCCC3C4CCCCC4C5CCCCC5C6CCCCC6C7CCCCC27 |(2.05,5.05,;3.35,4.3,;3.35,2.8,;2.05,2.05,;.75,2.8,;.75,4.3,;-.75,2.8,;-.75,4.3,;-2.05,5.05,;-3.35,4.3,;-3.35,2.8,;-2.05,2.05,;-2.8,.75,;-4.1,1.5,;-5.4,.75,;-5.4,-.75,;-4.1,-1.5,;-2.8,-.75,;-2.05,-2.05,;-3.35,-2.8,;-3.35,-4.3,;-2.05,-5.05,;-.75,-4.3,;-.75,-2.8,;.75,-2.8,;.75,-4.3,;2.05,-5.05,;3.35,-4.3,;3.35,-2.8,;2.05,-2.05,;2.8,-.75,;4.1,-1.5,;5.4,-.75,;5.4,.75,;4.1,1.5,;2.8,.75,)|
[Al]1Br[Al]Br1 |(1.06,.0,;.0,1.06,;-1.06,.0,;.0,-1.06,)|
S1CNC(C)C1C |(1.35,-.87,;1.82,.55,;.65,1.5,;-.59,.6,;-2.01,1.06,;-.15,-.83,;-1.06,-2.01,)|
OC1C(O)C2(C)CCC1C2(C)C |(2.53,-1.75,;1.23,-1.0,;1.23,.5,;2.53,1.25,;-.07,1.25,;-.07,2.75,;-1.36,.5,;-1.36,-1.0,;-.07,-1.75,;-.57,-.25,;-2.02,.14,;-2.02,-.64,)|
O1N2CO[Fe]1345ON(CO3)CCCC6NCC(NCC(NCCNCCNCCNC6)CCC2)CCCN(O4)CO5 |(-.42,.94,;-1.46,1.22,;-2.22,.46,;-1.52,-.17,;-.43,-.44,;-.42,-1.65,;-1.18,-2.42,;-2.22,-2.13,;-1.72,-1.11,;-.91,-3.46,;1.13,-3.47,;2.57,-2.55,;5.1,-2.85,;5.82,-.88,;5.82,1.22,;5.1,3.19,;3.75,4.8,;1.93,5.85,;-.14,6.21,;-2.2,5.85,;-4.02,4.8,;-5.37,3.19,;-6.09,1.22,;-6.09,-.88,;-5.37,-2.85,;-4.02,-4.46,;-2.2,-5.51,;-.14,-5.88,;1.93,-5.51,;3.75,-4.46,;-1.38,4.38,;-.98,3.02,;-1.74,2.26,;4.5,1.88,;3.42,1.55,;3.17,.45,;1.74,.01,;.4,.28,;1.74,-.88,;.4,-1.16,)|
OC1CCC2CC3N(C)CCC45C(OC1C24)C(O)CCC35 |(-3.19,3.85,;-1.88,3.1,;-.59,3.87,;.71,3.13,;.73,1.63,;2.04,.88,;2.05,-.62,;3.37,-1.36,;4.82,-.95,;3.34,.15,;.73,.14,;-.54,-.64,;-1.84,-1.39,;-3.35,.2,;-1.87,1.6,;-.56,.86,;-1.84,-2.89,;-3.12,-3.64,;-.54,-3.64,;.76,-2.89,;.76,-1.39,)|
O1CC2OC34CC(OCCCCC5NCCCC5C1)CCC4CCC2C3 |(3.09,-2.34,;3.83,-1.03,;3.23,.93,;.92,.93,;.13,3.04,;-1.17,2.29,;-2.47,3.04,;-3.69,1.5,;-2.94,.2,;-3.67,-1.1,;-2.91,-2.4,;-1.41,-2.38,;-.65,-3.67,;-1.39,-4.98,;-.62,-6.27,;.88,-6.26,;1.61,-4.95,;.85,-3.66,;1.59,-2.35,;-2.47,4.54,;-1.17,5.29,;.13,4.54,;1.43,5.29,;2.73,4.54,;2.73,3.04,;1.43,2.29,)|
O1CC2NCC3CCCC4O[Fe]567(OC8CCCC(CNC(C1)COCC(NCC9CCCC(O5)C9O6)COC2)C8O7)OC43 |(-1.48,-7.08,;-1.48,-8.58,;-2.78,-9.33,;6.31,-9.33,;6.31,6.42,;5.01,7.17,;5.01,8.67,;3.72,9.42,;2.42,8.67,;2.42,7.17,;1.12,6.42,;1.12,3.42,;3.72,1.92,;3.72,.42,;5.01,-.33,;5.01,-1.83,;3.72,-2.58,;2.42,-1.83,;1.12,-2.58,;1.12,-4.08,;-.18,-4.83,;-.18,-6.33,;-1.48,-4.08,;-2.78,-4.83,;-4.08,-4.08,;-5.38,-4.83,;-5.38,-.33,;-4.08,.42,;-4.08,1.92,;-5.38,2.67,;-5.38,4.17,;-4.08,4.92,;-2.78,4.17,;-1.48,4.92,;-2.78,2.67,;-1.48,1.92,;-5.38,-6.33,;-4.08,-7.08,;-4.08,-8.58,;2.42,-.33,;1.12,.42,;3.72,4.92,;3.72,6.42,)|
[As]C1CCC(N)CC1 |(.0,3.0,;.0,1.5,;-1.3,.75,;-1.3,-.75,;.0,-1.5,;.0,-3.0,;1.3,-.75,;1.3,.75,)|
O1CC2CC3CCCCC3C2C4CCCCC14 |(2.62,-1.8,;1.32,-2.55,;.02,-1.8,;-1.41,-2.26,;-2.29,-1.05,;-3.79,-1.05,;-4.54,.25,;-3.79,1.55,;-2.29,1.55,;-1.54,.25,;.02,-.3,;1.32,.45,;1.32,1.95,;2.62,2.7,;3.91,1.95,;3.91,.45,;2.62,-.3,)|
OC1NC(O)C2CC3CCC(O)CC3N(C)C2N1 |(5.05,-1.33,;3.75,-.58,;3.75,.92,;2.45,1.67,;2.45,3.17,;1.16,.92,;-.14,1.67,;-1.44,.92,;-2.74,1.67,;-4.04,.92,;-4.04,-.58,;-5.34,-1.33,;-2.74,-1.33,;-1.44,-.58,;-.14,-1.33,;-.14,-2.83,;1.16,-.58,;2.45,-1.33,)|
N1CCN2CCNC2C1 |(-2.31,.75,;-2.31,-.75,;-1.01,-1.5,;.29,-.75,;1.72,-1.21,;2.6,.0,;1.72,1.21,;.29,.75,;-1.01,1.5,)|
OC1C(C)CCCC1C |(.05,-2.34,;.01,-.82,;1.29,-.04,;2.62,-.78,;1.26,1.44,;-.03,2.14,;-1.32,1.4,;-1.32,-.12,;-2.56,-.9,)|
C1CC2CCCC2C1 |(-2.31,.0,;-1.43,-1.21,;.0,-.75,;1.43,-1.21,;2.31,.0,;1.43,1.21,;.0,.75,;-1.43,1.21,)|
IC1C(N)C(I)C(C)C(I)C1C |(2.6,1.49,;1.3,.75,;1.3,-.75,;2.59,-1.49,;.0,-1.5,;.01,-3.0,;-1.3,-.75,;-2.6,-1.5,;-1.3,.75,;-2.6,1.5,;.0,1.5,;.01,3.0,)|
OC1C(O)C(N)C(O)C(N)C1O |(2.6,-1.5,;1.3,-.75,;-.0,-1.5,;-.0,-3.0,;-1.3,-.75,;-2.6,-1.5,;-1.3,.75,;-2.6,1.5,;-.0,1.5,;-.0,3.0,;1.3,.75,;2.6,1.5,)|
C1CCC2C(C1)CCC3CCC4CCC5CCC6CCC7CCC8CCC9CCCCC9C8C7C6C5C4C32 |(1.66,4.33,;.31,3.69,;.22,2.17,;1.44,1.34,;2.79,1.99,;2.89,3.5,;3.99,1.18,;3.9,-.32,;2.56,-1.04,;2.53,-2.55,;1.23,-3.26,;-.09,-2.51,;-1.32,-3.36,;-2.72,-2.71,;-2.85,-1.32,;-4.25,-.74,;-4.4,.74,;-3.22,1.6,;-3.11,3.1,;-1.76,3.73,;-.53,2.83,;.94,3.14,;1.92,2.08,;1.42,.61,;2.4,-.34,;2.01,-1.84,;.6,-2.26,;.31,-3.77,;-1.08,-4.27,;-2.21,-3.32,;-1.92,-1.82,;-.53,-1.3,;-.02,.25,;-.82,1.33,;-1.89,.84,;-1.62,-.46,;-.09,-1.02,;1.31,-.25,)|
N12CCCC1CC2 |(-.31,-.75,;1.12,-1.21,;2.0,.0,;1.12,1.21,;-.31,.75,;-1.81,.75,;-1.81,-.75,)|
O1BOB2OBOB1O2 |(-1.3,1.39,;-1.88,.0,;-1.3,-1.39,;.08,-1.96,;1.47,-1.39,;2.04,.0,;1.47,1.39,;.08,1.96,;-.67,.0,)|
OC1C(C)CC2C1(O)CC(C)CC3C4C(O)(C(O)C(C)C32O)C4(C)C |(-4.33,-2.77,;-3.47,-1.54,;-3.96,-.12,;-5.39,.32,;-2.75,.78,;-1.53,-.08,;-1.97,-1.52,;-2.41,-2.95,;-1.13,-2.76,;.37,-2.87,;.92,-4.26,;1.39,-1.77,;1.17,-.29,;2.47,.46,;2.47,1.96,;3.77,2.71,;1.17,2.71,;1.17,4.21,;-.13,1.96,;-1.43,2.71,;-.13,.46,;-.13,-1.04,;3.77,1.21,;5.06,1.96,;5.06,.46,)|
C1CCC2CCCCC2CC1 |(3.0,.0,;2.35,-1.35,;.89,-1.69,;-.28,-.75,;-1.58,-1.5,;-2.88,-.75,;-2.88,.75,;-1.58,1.5,;-.28,.75,;.89,1.69,;2.35,1.35,)|
N1CCCCC1C |(-.37,1.29,;-1.67,.54,;-1.67,-.96,;-.37,-1.71,;.93,-.96,;.93,.54,;2.23,1.29,)|
O1C2CCCC3C2CCC4C5CCC6CC7N(CCCC7)CC6C5CC134 |(-4.05,-2.7,;-4.83,-4.03,;-6.12,-3.28,;-6.12,-1.78,;-4.83,-1.03,;-3.53,-1.78,;-3.53,-3.28,;-2.23,-4.03,;-.93,-3.28,;-.93,-1.78,;.37,-1.03,;1.67,-1.78,;2.97,-1.03,;2.97,.47,;4.27,1.22,;4.27,2.72,;2.97,3.47,;2.97,4.97,;4.27,5.72,;5.57,4.97,;5.57,3.47,;1.67,2.72,;1.67,1.22,;.37,.47,;-2.23,.47,;-2.23,-1.03,)|
FC1CCCCC1C |(2.27,.94,;.97,.19,;.97,-1.31,;-.33,-2.06,;-1.62,-1.31,;-1.62,.19,;-.33,.94,;-.33,2.44,)|
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ClC1CC(Cl)CC(N)C1 |(2.6,-1.5,;1.3,-.75,;.0,-1.5,;-1.3,-.75,;-2.6,-1.5,;-1.3,.75,;.0,1.5,;.0,3.0,;1.3,.75,)|
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[Hg]C1CCC(S)CC1 |(.0,-3.0,;.0,-1.5,;1.3,-.75,;1.3,.75,;.0,1.5,;.0,3.0,;-1.3,.75,;-1.3,-.75,)|
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S1CC1 |(.0,.87,;.75,-.43,;-.75,-.43,)|
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ClC1CC(C)C(O)CC1N |(2.59,-1.49,;1.29,-.74,;-.01,-1.49,;-1.3,-.75,;-2.6,-1.5,;-1.29,.74,;-2.59,1.49,;.0,1.49,;1.3,.75,;2.6,1.5,)|
N12CCCC3CCC4CCCC13C4CCC2 |(-1.2,-1.26,;-1.2,-2.76,;.1,-3.51,;1.4,-2.76,;1.4,-1.26,;2.7,-.51,;2.7,.99,;1.4,1.74,;.65,3.04,;-.96,3.04,;-.96,.55,;.1,-.51,;.1,.99,;-1.2,1.74,;-2.5,.99,;-2.5,-.51,)|
C1CCC2C(C1)CC34CCC(CCC23)C4 |(-3.82,-1.5,;-3.82,-.0,;-2.52,.75,;-1.22,-.0,;-1.22,-1.5,;-2.52,-2.25,;.2,-1.97,;1.09,-.75,;2.58,-.82,;3.57,.31,;3.3,1.78,;1.98,2.5,;.6,1.91,;.2,.46,;1.59,1.09,)|
CC1CCC23CC1C(C)(C)C3CCC2C |(3.85,.19,;2.35,.19,;1.7,1.54,;.24,1.87,;-.93,.94,;.77,.37,;1.7,-1.17,;.24,-1.5,;.24,-3.0,;1.54,-2.25,;-.93,-.56,;-2.36,-1.03,;-3.24,.19,;-2.36,1.4,;-2.82,2.83,)|
FC1CCCC(C)C1 |(2.27,-1.69,;.97,-.94,;-.33,-1.69,;-1.62,-.94,;-1.62,.56,;-.33,1.31,;-.33,2.81,;.97,.56,)|
N1CCC(C)C1C |(.78,1.33,;-.66,1.74,;-1.5,.5,;-.58,-.68,;-1.01,-1.81,;.83,-.17,;2.13,-.92,)|
O1CCCC2CC3C(OCC4C3OC5CCCCC54)CC12 |(4.38,-2.54,;5.68,-1.81,;5.7,-.31,;4.41,.45,;3.12,-.28,;1.84,.48,;.53,-.25,;.51,-1.75,;-.81,-2.49,;-2.1,-1.71,;-2.07,-.21,;-.76,.52,;-1.05,2.0,;-2.55,2.17,;-3.42,3.39,;-4.91,3.26,;-5.54,1.9,;-4.67,.67,;-3.18,.81,;1.79,-2.51,;3.09,-1.78,)|
OC1CC(C)CCC1N |(2.31,-1.33,;1.02,-.58,;1.02,.92,;-.29,1.67,;-.3,3.16,;-1.58,.92,;-1.58,-.58,;-.29,-1.35,;-.3,-2.83,)|
N1C2CCCCC2C34CCN5CCC(CC5C13)C4 |(-1.05,-.91,;-2.35,-.16,;-3.65,-.91,;-4.95,-.16,;-4.95,1.34,;-3.65,2.09,;-2.35,1.34,;.25,1.34,;1.54,2.09,;2.84,1.34,;2.84,-.16,;4.14,-.91,;4.14,-2.4,;2.84,-3.15,;1.54,-2.4,;1.54,-.91,;.25,-.16,;1.02,2.64,)|
CC1CCC2(C)C1CCC3C4(C)CCCC(C)(C)C4CCC32C |(3.68,4.03,;3.68,2.53,;4.56,1.31,;3.68,.1,;2.25,.56,;2.25,-.94,;2.25,2.06,;.96,2.81,;-.34,2.06,;-.34,.56,;-1.64,-.19,;-1.64,1.31,;-2.94,.56,;-4.24,-.19,;-4.24,-1.69,;-2.94,-2.44,;-2.55,-3.89,;-3.33,-3.89,;-1.64,-1.69,;-.34,-2.44,;.96,-1.69,;.96,-.19,;.96,1.31,)|
*C1OC(C)C(O)C1 |(2.86,.86,;1.41,.47,;.21,1.34,;-1.0,.47,;-2.43,.93,;-.57,-.95,;-1.43,-2.16,;.95,-.95,)|
OC1CCC2(C)CC(O)C3C(C)CC(O)C(C(O)C2C1C)C3(C)C |(5.72,-1.45,;4.64,-.9,;4.64,.61,;3.36,1.34,;2.06,.61,;2.57,2.38,;.78,2.49,;-1.3,2.49,;-1.83,3.81,;-2.47,1.28,;-3.96,1.28,;-4.71,2.56,;-4.71,-.01,;-3.96,-1.31,;-4.96,-2.5,;-2.47,-1.31,;-.03,-2.42,;.04,-3.6,;2.06,-.9,;3.36,-1.63,;3.42,-3.12,;-1.74,-.01,;-.33,.97,;-.2,-.66,)|
O1CCC2C3OCC42C1CC5CCCCC5C4CC3 |(2.31,-2.27,;3.6,-1.51,;3.59,-.01,;2.28,.73,;2.29,2.21,;1.05,2.27,;.14,1.31,;1.0,-.04,;1.01,-1.54,;-.3,-2.29,;-1.59,-1.54,;-2.89,-2.29,;-4.19,-1.54,;-4.19,-.04,;-2.89,.72,;-1.6,-.04,;-.3,.71,;-.31,2.21,;.99,2.96,)|
ClC1CCCC(N)C1 |(-2.27,1.69,;-.97,.94,;.33,1.69,;1.62,.94,;1.62,-.56,;.33,-1.31,;.33,-2.81,;-.97,-.56,)|
N1C2CCCCC3CCCC(C3)C4CCCC(CCCCC1CCC2)C4 |(.06,-2.68,;-1.24,-3.43,;-2.61,-3.43,;-3.4,-2.11,;-2.75,-.82,;-3.66,.41,;-3.02,1.78,;-3.77,3.08,;-3.02,4.38,;-1.52,4.38,;-.77,3.08,;-1.52,1.78,;.73,3.08,;1.48,4.38,;2.98,4.38,;3.73,3.08,;2.98,1.78,;3.62,.41,;2.71,-.82,;3.36,-2.11,;2.58,-3.43,;1.36,-3.43,;1.36,-4.93,;.06,-5.68,;-1.24,-4.93,;1.48,1.78,)|
S1CC2CCCCC2C(C)C3CCCCC13 |(.75,2.15,;-.75,2.15,;-1.69,.98,;-3.12,1.42,;-4.22,.4,;-3.88,-1.06,;-2.45,-1.51,;-1.35,-.49,;-.0,-1.14,;-.0,-2.64,;1.35,-.49,;2.45,-1.51,;3.88,-1.06,;4.22,.4,;3.12,1.42,;1.69,.98,)|
SC1CCC(N)CC1 |(2.6,1.5,;1.3,.75,;1.3,-.75,;-.0,-1.5,;-1.3,-.75,;-2.6,-1.5,;-1.3,.75,;-.0,1.5,)|
O1CCC2CCCC3C(CC4C3C5CCC64C7OCCC7CCCC56)C12 |(-3.73,-2.42,;-5.21,-2.69,;-5.92,-1.36,;-4.88,-.28,;-5.21,1.18,;-4.27,2.35,;-2.77,2.35,;-1.84,1.18,;-2.17,-.28,;-.89,-1.05,;.24,-.07,;-.34,1.31,;.79,2.3,;2.31,3.06,;3.21,.73,;1.74,.06,;2.67,-1.11,;2.21,-2.54,;3.42,-3.42,;4.63,-2.54,;4.17,-1.11,;5.11,.06,;4.78,1.52,;3.42,2.17,;2.07,1.53,;-3.53,-.93,)|
N1CC2CCCC34C1C(CC23)C5CCC6CC5C4C6 |(-2.54,-.71,;-2.54,-3.61,;-2.15,-2.16,;-3.45,-1.41,;-3.45,.09,;-2.15,.84,;-.85,.09,;-.85,1.59,;1.78,-2.02,;.32,-2.35,;-.85,-1.41,;2.44,-.66,;3.94,-.66,;3.94,3.1,;1.57,3.1,;2.55,1.98,;1.78,.69,;.32,1.02,;.19,2.52,)|
N1CCNCCNCCNCCCCNCCNCCNCC1 |(1.8,-4.12,;.48,-4.83,;-.8,-4.05,;-2.11,-4.77,;-3.41,-4.0,;-3.4,-2.5,;-4.69,-1.74,;-4.7,-.24,;-3.41,.52,;-2.1,-.22,;-.54,1.82,;-1.84,2.57,;-1.84,4.07,;-.55,4.83,;.76,4.09,;2.07,4.83,;3.36,4.07,;3.35,2.57,;4.63,1.79,;4.59,.29,;3.27,-.43,;3.2,-1.93,;1.87,-2.62,)|
OC1CC(C)CC(C)C1C |(-.26,2.85,;-.26,1.35,;-1.56,.6,;-1.56,-.9,;-2.86,-1.65,;-.26,-1.65,;1.04,-.9,;2.34,-1.65,;1.04,.6,;2.34,1.35,)|
O1CCCC2C1CCC3CC4C(OC32)COC5CCCCC54 |(-5.2,1.47,;-5.21,2.97,;-3.92,3.74,;-2.62,3.0,;-2.6,1.51,;-3.89,.75,;-3.89,-.75,;-2.59,-1.51,;-1.29,-.75,;.01,-1.5,;1.31,-.75,;1.32,.76,;.01,1.52,;-1.29,.76,;2.61,1.51,;3.91,.75,;3.9,-.76,;5.19,-1.51,;5.18,-3.01,;3.87,-3.75,;2.58,-2.98,;2.6,-1.49,)|
ClC1NCC(C)CC1 |(-2.6,-1.5,;-1.3,-.75,;.0,-1.5,;1.3,-.75,;1.3,.75,;2.6,1.5,;.0,1.5,;-1.3,.75,)|
C1CCC2CC3C(CCC4CCCCC43)CC2C1 |(-4.83,-1.38,;-4.83,.12,;-3.54,.88,;-2.24,.12,;-.94,.88,;.36,.12,;.36,-1.38,;1.66,-2.12,;2.96,-1.38,;2.96,.12,;4.26,.88,;4.26,2.38,;2.96,3.12,;1.66,2.38,;1.66,.88,;-.94,-2.12,;-2.24,-1.38,;-3.54,-2.12,)|
ClC1SC(C)CN1 |(-2.71,-.21,;-1.21,-.21,;-.33,1.0,;1.1,.54,;2.4,1.29,;1.1,-.96,;-.33,-1.43,)|
[Se]1[Se][Se][Se][Se][Se][Se][Se]1 |(.75,-1.81,;1.81,-.75,;1.81,.75,;.75,1.81,;-.75,1.81,;-1.81,.75,;-1.81,-.75,;-.75,-1.81,)|
OC1NCC(OP(O)(O)OC2C(O)C(OC2C)N3CN(C4CC(C)C(C)CC34)[Co]567(O)N8C9C(C)C%10N7C(C(C)C%10(C)CC1)C%11(N6C(C(C)C%12N5C(CC8C(C)(C)C9C)C(C)C%12(C)C)C(C)C%11(C)C)C)C |(-5.88,-1.14,;-4.58,-1.89,;-4.58,-3.38,;-5.88,-4.13,;-5.88,-5.63,;-4.57,-6.26,;-4.57,-7.76,;-5.32,-9.06,;-6.01,-8.15,;-3.5,-8.82,;-2.01,-8.66,;-1.26,-7.36,;-1.87,-5.99,;.2,-7.68,;.36,-9.17,;-1.01,-9.78,;-1.32,-11.24,;1.32,-6.67,;1.16,-5.18,;2.53,-4.57,;3.54,-5.68,;5.04,-5.68,;5.79,-6.98,;7.29,-6.98,;5.04,-8.28,;5.79,-9.58,;3.54,-8.28,;2.79,-6.98,;.6,4.9,;-.29,10.02,;2.16,3.27,;1.94,1.81,;.66,1.05,;.66,-.45,;-.69,1.81,;-.89,3.27,;-2.37,3.53,;-3.06,2.17,;-4.36,1.42,;-1.98,1.11,;-1.98,-.39,;-3.28,.36,;-3.28,-1.14,;-2.37,6.13,;-.89,6.36,;-.69,7.82,;.66,8.56,;.66,10.06,;1.94,7.82,;2.16,6.36,;3.66,6.08,;4.41,4.81,;3.66,3.53,;4.35,2.17,;5.75,2.7,;5.51,1.22,;3.27,1.11,;3.5,-.37,;4.35,7.45,;5.65,8.2,;3.27,8.5,;4.57,9.25,;3.27,10.0,;-1.98,8.5,;-2.2,9.99,;-3.06,7.45,;-4.36,6.7,;-4.12,8.51,;-3.81,5.74,;-7.18,-6.38,)|
ClC1C(O)C2(OC(O)(C)C(C)C2C3COC(C)CC13)C |(-.22,3.72,;-.21,2.22,;-1.51,1.47,;-2.8,2.21,;-1.51,-.03,;-2.62,-1.03,;-2.02,-2.4,;-2.03,-3.89,;-3.32,-3.14,;-.53,-2.24,;.47,-3.36,;-.21,-.78,;1.08,-.04,;2.38,-.79,;3.7,-.04,;3.7,1.47,;5.0,2.21,;2.39,2.24,;1.09,1.47,;-2.81,.72,)|
O1COC2CC3C(CCC4C3NCC5CCCCC54)CC12 |(5.08,2.18,;5.96,.96,;5.08,-.25,;3.65,.21,;2.35,-.54,;1.05,.21,;1.05,1.71,;-.25,2.46,;-1.54,1.71,;-1.54,.21,;-.25,-.54,;-.25,-2.04,;-1.54,-2.79,;-2.84,-2.04,;-4.14,-2.79,;-5.44,-2.04,;-5.44,-.54,;-4.14,.21,;-2.84,-.54,;2.35,2.46,;3.65,1.71,)|
OC1CCC2CC3N(CCC4CC(O)C(O)CC34)CC2C1O |(5.04,4.14,;3.69,3.39,;2.39,4.15,;1.09,3.42,;1.09,1.92,;-.23,1.15,;-.24,-.34,;1.05,-1.1,;1.08,-2.61,;-.27,-3.36,;-1.57,-2.6,;-2.87,-3.34,;-4.2,-2.56,;-5.5,-3.3,;-4.19,-1.07,;-5.48,-.31,;-2.87,-.3,;-1.54,-1.08,;2.39,-.39,;2.38,1.17,;3.72,1.88,;5.01,1.12,)|
NC1CCCCC1N |(-.33,2.44,;-.33,.94,;-1.62,.19,;-1.62,-1.31,;-.33,-2.06,;.97,-1.31,;.97,.19,;2.27,.94,)|
C1CC2CC3CCC4CC5CCC6CC7CCC8CC9CCC%10CC%11CCC%12CC1C%13CC%12C%11CC%10C9CC8C7CC6C5CC4C3CC2%13 |(-3.9,5.25,;-2.6,6.0,;-1.3,5.25,;.0,6.0,;1.3,5.25,;2.6,6.0,;3.9,5.25,;3.9,3.75,;5.2,3.0,;5.2,1.5,;6.5,.75,;6.5,-.75,;5.2,-1.5,;5.2,-3.0,;3.9,-3.75,;3.9,-5.25,;2.6,-6.0,;1.3,-5.25,;.0,-6.0,;-1.3,-5.25,;-2.6,-6.0,;-3.9,-5.25,;-3.9,-3.75,;-5.2,-3.0,;-5.2,-1.5,;-6.5,-.75,;-6.5,.75,;-5.2,1.5,;-5.2,3.0,;-3.9,3.75,;-2.6,3.0,;-2.6,1.5,;-3.9,.75,;-3.9,-.75,;-2.6,-1.5,;-2.6,-3.0,;-1.3,-3.75,;.0,-3.0,;1.3,-3.75,;2.6,-3.0,;2.6,-1.5,;3.9,-.75,;3.9,.75,;2.6,1.5,;2.6,3.0,;1.3,3.75,;.0,3.0,;-1.3,3.75,)|
FC12C(O)CC3(C)C(CC(C)C3(O)C)C2CCC4CC(O)CCC41C |(-.67,-1.5,;-.67,-.0,;-.67,1.47,;-1.97,2.22,;.66,2.23,;1.93,1.47,;1.93,3.01,;1.93,-.0,;3.36,-.47,;4.21,.72,;5.27,-.05,;3.36,1.94,;4.67,2.67,;3.36,3.48,;.66,-.72,;.66,-2.25,;-.67,-3.0,;-1.97,-2.25,;-3.24,-3.0,;-4.55,-2.25,;-5.89,-3.03,;-4.55,-.72,;-3.24,-.0,;-1.97,-.72,;-1.97,.75,)|
O1CCC2CCCCC12 |(1.72,-1.21,;2.6,.0,;1.72,1.21,;.29,.75,;-1.01,1.5,;-2.31,.75,;-2.31,-.75,;-1.01,-1.5,;.29,-.75,)|
N1NCCNC1 |(1.3,.75,;.0,1.5,;-1.3,.75,;-1.3,-.75,;.0,-1.5,;1.3,-.75,)|
O1NC1 |(.0,.87,;-.75,-.43,;.75,-.43,)|
O1[W]O[W]O[W]1 |(-1.3,.75,;.0,1.5,;1.3,.75,;1.3,-.75,;.0,-1.5,;-1.3,-.75,)|
OC1OC2C(CCC3(C)CCC(O)C(C)C23)C1C |(3.17,-3.54,;2.42,-2.24,;.93,-2.08,;.62,-.62,;1.92,.13,;1.92,1.63,;.62,2.38,;-.68,1.63,;-.68,3.13,;-1.98,2.38,;-3.28,1.63,;-3.28,.13,;-4.58,-.62,;-1.98,-.62,;-1.98,-2.12,;-.68,.13,;3.03,-.87,;4.48,-.48,)|
S1C2CCCCC2NC3CCCCC13 |(-.0,-1.5,;-1.3,-.75,;-2.6,-1.5,;-3.9,-.75,;-3.9,.75,;-2.6,1.5,;-1.3,.75,;-.0,1.5,;1.3,.75,;2.6,1.5,;3.9,.75,;3.9,-.75,;2.6,-1.5,;1.3,-.75,)|
OC1OC(C)C(C)C(O)C1 |(-2.86,-1.65,;-1.56,-.9,;-.26,-1.65,;1.04,-.9,;2.34,-1.65,;1.04,.6,;2.34,1.35,;-.26,1.35,;-.26,2.85,;-1.56,.6,)|
OC1CCC2CC3N(C)CCC4(CCCCC34)C2C1 |(-3.5,3.69,;-2.2,2.94,;-.9,3.69,;.4,2.94,;.4,1.44,;1.7,.69,;1.7,-.81,;3.0,-1.56,;4.45,-1.17,;3.02,-.06,;.4,-.06,;-.9,-.81,;-2.2,-1.56,;-2.2,-3.06,;-.9,-3.81,;.4,-3.06,;.4,-1.56,;-.9,.69,;-2.2,1.44,)|
Cl1[Au]Cl[Au]1 |(.0,-1.06,;-1.06,.0,;.0,1.06,;1.06,.0,)|
N12CCC3CCCC(C13)C4CCCCC4C2 |(1.28,-1.43,;3.08,-1.55,;3.69,-.18,;2.58,.82,;2.58,2.32,;1.28,3.07,;-.02,2.32,;-.02,.82,;1.28,.07,;-1.32,.07,;-2.62,.82,;-3.92,.07,;-3.92,-1.43,;-2.62,-2.18,;-1.32,-1.43,;-.02,-2.18,)|
N1C2CCCCC2C34CCN5CCCC6(CCC13CC6)C54 |(-.92,-2.57,;-2.09,-1.66,;-3.56,-1.93,;-4.53,-.79,;-4.04,.62,;-2.57,.89,;-1.59,-.26,;-.05,-.26,;-1.26,.67,;-.83,2.1,;.66,2.12,;1.69,3.21,;3.15,2.87,;3.58,1.43,;2.53,.32,;2.3,-.83,;1.46,-1.58,;.33,-1.74,;1.77,-2.17,;2.86,-1.15,;1.11,.71,)|
S1[Fe]S[Fe]1 |(-.75,-.75,;.75,-.75,;.75,.75,;-.75,.75,)|
O1COC2CC3C(COC4CCC5CCNC5C43)CC12 |(-4.08,-2.62,;-4.98,-1.43,;-4.13,-.21,;-2.7,-.64,;-1.43,.15,;-.11,-.57,;-.07,-2.06,;1.24,-2.79,;2.52,-2.01,;2.54,-.52,;3.85,.29,;3.89,1.83,;2.45,2.58,;2.11,4.08,;.58,4.08,;-.03,2.81,;1.2,1.79,;1.17,.21,;-1.35,-2.85,;-2.67,-2.13,)|
C1CCC2CC(CC1)C3CCCCC3C2 |(3.58,1.1,;3.56,-.11,;2.68,-1.17,;1.27,-1.17,;1.27,.34,;-.04,1.1,;1.02,2.16,;2.52,2.16,;-1.34,.34,;-2.64,1.09,;-3.94,.34,;-3.94,-1.17,;-2.64,-1.92,;-1.34,-1.17,;-.04,-1.93,)|
N12CN3CN(C1)CN(C2)C3 |(1.61,-.13,;.31,-.88,;-.99,-.13,;-.99,1.37,;.31,2.12,;1.61,1.37,;-.46,.56,;-.46,-1.06,;.87,-1.61,;-1.8,-1.61,)|
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NC1NCNC2NCNC12 |(-.92,2.67,;-.92,1.17,;-2.22,.42,;-2.22,-1.08,;-.92,-1.83,;.38,-1.08,;1.91,-1.46,;2.73,-.21,;1.78,.96,;.38,.42,)|
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OC1CCC(N)C2CC3CC4C(N)C(O)C(C)C(O)C4(O)C(O)C3C(O)C12 |(-4.47,-2.69,;-4.47,-1.19,;-5.77,-.44,;-5.77,1.06,;-4.47,1.81,;-4.47,3.31,;-3.17,1.06,;-1.88,1.81,;-.58,1.06,;.72,1.81,;2.02,1.06,;3.32,1.81,;3.32,3.31,;4.62,1.06,;5.92,1.81,;4.62,-.44,;5.92,-1.19,;3.32,-1.19,;3.32,-2.69,;2.02,-.44,;2.02,-1.94,;.72,-1.19,;.72,-2.69,;-.58,-.44,;-1.88,-1.19,;-1.88,-2.69,;-3.17,-.44,)|
ClC1CCC(C)C(Cl)C1 |(-2.6,-1.83,;-1.3,-1.08,;.0,-1.83,;1.3,-1.08,;1.3,.42,;2.6,1.17,;.0,1.17,;-.0,2.67,;-1.3,.42,)|
OC1NC(O)CC(N1)C |(.0,-3.0,;.0,-1.5,;-1.3,-.75,;-1.3,.75,;-2.6,1.5,;.0,1.5,;1.3,.75,;1.3,-.75,;2.6,1.5,)|
O1C2C1C3CC2C4C5CCC(C5)C34 |(-3.67,.0,;-2.37,.75,;-2.37,-.75,;-1.07,-1.5,;-.65,-.01,;-1.07,1.5,;.23,.75,;1.53,1.5,;2.83,.75,;2.83,-.75,;1.53,-1.5,;2.04,.01,;.23,-.75,)|
O1CCC2CCCC3CCCC3C12 |(-.37,-2.42,;.9,-3.25,;2.06,-2.3,;1.54,-.89,;2.41,.32,;2.01,1.77,;.63,2.35,;-.69,1.63,;-2.02,2.34,;-3.09,1.3,;-2.44,-.04,;-.96,.16,;.03,-.97,)|
OC1CC2CC(C1C)C2(C)C |(3.32,-.21,;1.82,-.22,;1.08,-1.53,;-.42,-1.54,;-1.18,-.25,;-.43,1.05,;1.06,1.07,;1.79,2.38,;-1.63,-.25,;-2.71,.79,;-2.7,-1.3,)|
OC1NC(N)NC(C)C1C |(-2.34,-1.65,;-1.04,-.9,;.26,-1.65,;1.56,-.9,;2.86,-1.65,;1.56,.6,;.26,1.35,;.26,2.85,;-1.04,.6,;-2.34,1.35,)|
ClC12C(O)CC3(C)C(CC(C)C3(O)C)C2CCC4CC(O)CCC41C |(-.68,-1.55,;-.68,-.05,;-.68,1.45,;-1.98,2.2,;.62,2.2,;1.92,1.45,;1.92,2.95,;1.92,-.05,;3.34,-.51,;4.23,.7,;5.73,.7,;3.34,1.92,;3.34,3.7,;4.64,2.67,;.62,-.8,;.62,-2.3,;-.68,-3.05,;-1.98,-2.3,;-3.28,-3.05,;-4.58,-2.3,;-5.88,-3.05,;-4.58,-.8,;-3.28,-.05,;-1.98,-.8,;-1.98,.7,)|
O1CCC2CC3NC(CC4C3NC5CCCCC54)C2C1 |(5.3,.39,;5.3,-1.11,;4.0,-1.86,;2.67,-1.11,;1.61,-2.17,;.11,-2.17,;.11,-.17,;1.61,1.45,;.11,1.45,;-.95,.39,;-.95,-1.11,;-2.38,-1.57,;-3.26,-.36,;-4.75,-.2,;-5.36,1.17,;-4.48,2.38,;-2.99,2.22,;-2.38,.85,;2.67,.39,;4.0,1.14,)|
OC1OCCCC1 |(2.23,1.29,;.93,.54,;-.37,1.29,;-1.67,.54,;-1.67,-.96,;-.37,-1.71,;.93,-.96,)|
CC1CCC(C)C2CCC(C)C2C1 |(2.94,-2.37,;2.0,-1.2,;2.65,.15,;2.0,1.51,;.54,1.84,;.2,3.3,;-.64,.91,;-2.06,1.37,;-2.94,.15,;-2.06,-1.06,;-2.53,-2.48,;-.64,-.59,;.54,-1.53,)|
C1CC2CCC34CCC(CCC3CC2C1)C4 |(-4.46,-.63,;-3.58,-1.84,;-2.16,-1.38,;-.98,-2.31,;.48,-1.98,;1.13,-.63,;1.62,.79,;3.96,1.92,;3.47,.5,;2.82,1.85,;1.32,1.96,;.48,.72,;-.98,1.06,;-2.16,.12,;-3.58,.59,;2.62,-.74,)|
OC1C(C)C2C3NC(CC4N5[Mg]N6C(CC7NC(CC5C(C)C4C)C(C)C7C)C(C)C1C62)C(C)C3C |(2.92,-6.03,;2.17,-4.73,;.29,-4.73,;-.46,-6.03,;-.09,-3.28,;-1.38,-2.52,;-1.61,-1.04,;-3.09,-.78,;-3.85,.51,;-3.09,1.8,;-1.61,2.07,;-.09,.51,;1.46,-1.04,;2.94,-.78,;3.7,.51,;2.94,1.8,;1.46,2.07,;1.23,3.55,;-.09,4.31,;-1.38,3.55,;-2.71,4.23,;-3.1,5.68,;-3.77,3.17,;-5.22,3.56,;2.56,4.23,;2.95,5.68,;3.66,3.17,;5.11,3.56,;3.66,-2.14,;5.11,-2.53,;2.56,-3.21,;1.23,-2.52,;-3.77,-2.14,;-5.22,-2.53,;-2.71,-3.21,;-2.71,-4.71,)|
OC1CCC(C)C(C)C1 |(-2.9,-1.33,;-1.58,-.58,;-1.58,.92,;-.29,1.67,;1.0,.92,;2.32,1.67,;1.0,-.58,;2.32,-1.33,;-.29,-1.33,)|
C1CC2CCC3CC4CCC5CCC6CCC7CC8CCC1C9C2C3C%10C4C5C6C7C%10C89 |(-5.2,-.75,;-5.2,.75,;-3.9,1.5,;-3.9,3.0,;-2.6,3.75,;-1.3,3.0,;.0,3.75,;1.3,3.0,;2.6,3.75,;3.9,3.0,;3.9,1.5,;5.2,.75,;5.2,-.75,;3.9,-1.5,;3.9,-3.0,;2.6,-3.75,;1.3,-3.0,;-.0,-3.75,;-1.3,-3.0,;-2.6,-3.75,;-3.9,-3.0,;-3.9,-1.5,;-2.6,-.75,;-2.6,.75,;-1.3,1.5,;-.0,.75,;1.3,1.5,;2.6,.75,;2.6,-.75,;1.3,-1.5,;-.0,-.75,;-1.3,-1.5,)|
OC1CCC2(C)C3CCC4(C)C(C)CCC4(C)C3CCC2C1(C)C |(-5.39,-2.46,;-4.06,-1.68,;-4.06,-.15,;-2.75,.57,;-1.47,-.15,;-1.47,1.32,;-.17,.57,;-.17,2.04,;1.16,2.81,;2.43,2.04,;2.43,3.58,;3.85,2.51,;3.85,4.05,;4.7,1.29,;3.85,.1,;2.43,.57,;2.43,-.93,;1.16,-.15,;1.16,-1.68,;-.17,-2.42,;-1.47,-1.68,;-2.75,-2.42,;-2.36,-3.87,;-3.13,-3.87,)|
N1(C)CCCCC1 |(-.0,-1.07,;-.0,-2.57,;-1.3,-.32,;-1.3,1.18,;-.0,1.93,;1.3,1.18,;1.3,-.32,)|
ON1CCCCC1S |(-.33,-2.44,;-.33,-.94,;-1.62,-.19,;-1.62,1.31,;-.33,2.06,;.97,1.31,;.97,-.19,;2.27,-.94,)|
SC1CCC2CCC(S)CC2C1 |(-3.9,1.25,;-2.6,.5,;-2.6,-1.0,;-1.3,-1.75,;-.0,-1.0,;1.3,-1.75,;2.6,-1.0,;2.6,.5,;3.9,1.25,;1.3,1.25,;-.0,.5,;-1.3,1.25,)|
[As]1CCCC1 |(-1.28,.0,;-.39,1.21,;1.03,.75,;1.03,-.75,;-.39,-1.21,)|
S1CCSCCSCC1 |(-.0,-1.37,;1.44,-1.71,;2.22,-.43,;1.21,.7,;.76,2.13,;-.75,2.13,;-1.2,.7,;-2.21,-.44,;-1.46,-1.73,)|
CC1C2CCCCC2C(C)C3C4CCCCC4CCC13 |(-.84,-3.56,;-.84,-2.06,;-2.14,-1.31,;-3.44,-2.06,;-4.74,-1.31,;-4.74,.19,;-3.44,.94,;-2.14,.19,;-.84,.94,;-.84,2.44,;.46,.19,;1.75,.94,;1.75,2.44,;3.05,3.19,;4.35,2.44,;4.35,.94,;3.05,.19,;3.05,-1.31,;1.75,-2.06,;.46,-1.31,)|
OC1CCC2C(N(C)C3C(O)(C)C(O)C4(C)CCCN5CCC32C54)C1 |(-6.38,-1.59,;-5.0,-.81,;-5.0,.66,;-3.72,1.39,;-2.39,.66,;-2.39,-.81,;-1.11,-1.59,;-1.11,-3.19,;.12,-.81,;1.41,-1.59,;2.78,-2.37,;1.41,-3.19,;2.73,-.81,;4.38,-1.78,;2.73,.66,;3.97,-.08,;4.02,1.39,;4.02,2.85,;2.73,3.63,;1.36,2.85,;-1.2,2.85,;-1.16,1.34,;.12,.61,;1.41,1.3,;-3.72,-1.59,)|
O1CCC2CC3CCCCC3CC12 |(3.04,1.2,;3.92,-.02,;3.02,-1.24,;1.59,-.76,;.29,-1.49,;-1.0,-.74,;-2.29,-1.49,;-3.59,-.74,;-3.59,.76,;-2.29,1.51,;-.99,.76,;.3,1.5,;1.6,.75,)|
C1CCC2CC3CC4CC5C(CCC6CC7CC8CC9CCCCC9CC8CC7CC65)CC4CC3CC2C1 |(-10.19,-3.35,;-10.19,-1.85,;-8.89,-1.1,;-7.59,-1.85,;-6.29,-1.1,;-4.99,-1.85,;-3.69,-1.1,;-2.39,-1.85,;-1.09,-1.1,;.2,-1.85,;.2,-3.35,;1.5,-4.11,;2.8,-3.35,;2.8,-1.85,;4.1,-1.1,;4.1,.4,;5.4,1.15,;5.4,2.65,;6.7,3.4,;6.7,4.89,;8.0,5.64,;8.0,7.14,;6.7,7.89,;5.4,7.14,;5.4,5.64,;4.1,4.89,;4.1,3.4,;2.8,2.65,;2.8,1.15,;1.5,.4,;1.5,-1.1,;-1.09,-4.11,;-2.39,-3.35,;-3.69,-4.11,;-4.99,-3.35,;-6.29,-4.11,;-7.59,-3.35,;-8.89,-4.11,)|
OC1CCC(O)(C)C1C |(-1.33,2.62,;-.94,1.17,;-1.82,-.05,;-.94,-1.26,;.49,-.8,;.49,-2.3,;1.78,-1.55,;.49,.7,;1.78,1.45,)|
C1CC2CCC3CCCC4CCC(C1)C2C34 |(-3.25,-1.88,;-1.95,-2.62,;-.65,-1.88,;.65,-2.62,;1.95,-1.88,;1.95,-.38,;3.25,.38,;3.25,1.88,;1.95,2.62,;.65,1.88,;-.65,2.62,;-1.95,1.88,;-1.95,.38,;-3.25,-.38,;-.65,-.38,;.65,.38,)|
OC1CCC2C(OCC3C2OC4CC(O)CCC43)C1 |(-5.56,2.79,;-4.26,2.04,;-4.26,.55,;-2.96,-.2,;-1.67,.55,;-1.67,2.04,;-.37,2.79,;.93,2.04,;.93,.55,;-.37,-.2,;-.06,-1.67,;1.44,-1.83,;2.32,-3.04,;3.81,-2.88,;4.7,-4.05,;4.42,-1.51,;3.54,-.3,;2.05,-.46,;-2.96,2.79,)|
O1COC2CC3CCC4CCCCC4CNCCC3CC12 |(-4.74,2.71,;-5.61,1.51,;-4.75,.31,;-3.33,.76,;-2.05,.01,;-.76,.76,;.55,.02,;.54,-1.49,;1.83,-2.26,;1.84,-3.78,;3.15,-4.56,;4.47,-3.78,;4.47,-2.25,;3.15,-1.5,;3.15,.01,;1.85,.76,;1.83,2.27,;.53,3.01,;-.76,2.25,;-2.05,2.99,;-3.33,2.25,)|
N1NNCCN1 |(1.3,-.75,;1.3,.75,;.0,1.5,;-1.3,.75,;-1.3,-.75,;.0,-1.5,)|
O1CCC2C1CC3C2CCC4C5CCCCC5CCC43 |(5.13,1.23,;5.13,2.73,;3.71,3.2,;2.82,1.98,;3.71,.77,;2.82,-.44,;1.4,.02,;1.4,1.52,;.1,2.27,;-1.2,1.52,;-1.2,.02,;-2.5,-.73,;-3.8,.02,;-5.1,-.73,;-5.1,-2.23,;-3.8,-2.98,;-2.5,-2.23,;-1.2,-2.98,;.1,-2.23,;.1,-.73,)|
C1CCC2CCCC2CC1 |(-2.71,-.0,;-2.06,1.35,;-.6,1.69,;.57,.75,;2.0,1.21,;2.88,-.0,;2.0,-1.21,;.57,-.75,;-.6,-1.69,;-2.06,-1.35,)|
OC1N2C3CC(C1C)C4C2CC5(C4O)C3NC6CCCCC65 |(4.69,-.4,;3.52,-1.1,;2.21,-.37,;.94,-1.1,;.94,-2.57,;2.21,-3.3,;3.48,-2.61,;4.79,-3.34,;3.63,2.79,;2.21,1.13,;.94,1.86,;-.34,1.13,;-.68,2.79,;-1.45,4.31,;-.34,-.37,;-1.61,-1.1,;-2.92,-.37,;-4.19,-1.1,;-5.46,-.37,;-5.46,1.13,;-4.19,1.86,;-2.92,1.13,)|
N1CCC2CC3NC12CC4NC(CC4)CC5NC6C(CCCC6C7NC(CC7)C3)C5 |(.39,4.23,;.85,5.34,;2.33,5.1,;2.56,3.62,;3.62,2.56,;2.94,1.22,;1.46,1.54,;1.23,2.94,;-.02,3.69,;-1.2,2.94,;-1.44,1.54,;-2.92,1.22,;-3.6,2.56,;-2.54,3.62,;-3.67,.04,;-2.92,-1.15,;-1.44,-1.3,;-1.2,-2.87,;-2.54,-3.55,;-2.54,-5.05,;-1.24,-5.8,;-.02,-5.12,;-.02,-3.62,;1.23,-2.87,;1.46,-1.24,;2.94,-1.15,;3.62,-2.49,;2.56,-3.55,;3.69,.04,;-3.6,-2.49,)|
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl |(-2.6,-1.5,;-1.3,-.75,;.0,-1.5,;.0,-3.0,;1.3,-.75,;2.6,-1.5,;1.3,.75,;2.6,1.5,;.0,1.5,;.0,3.0,;-1.3,.75,;-2.6,1.5,)|
CC12CCCC2C3CCC4CCCCC4(C)C3CC1 |(2.19,3.2,;2.19,1.7,;3.62,2.16,;4.5,.95,;3.62,-.27,;2.19,.2,;.89,-.55,;.89,-2.05,;-.41,-2.8,;-1.71,-2.05,;-3.01,-2.8,;-4.3,-2.05,;-4.3,-.55,;-3.01,.2,;-1.71,-.55,;-1.71,.95,;-.41,.2,;-.41,1.7,;.89,2.45,)|
OC1CC2N(C)C(CC2)C1C |(.24,2.77,;.24,1.27,;1.59,.62,;1.93,-.84,;.23,-1.21,;.23,.29,;-1.44,-.84,;-.51,-2.02,;.99,-2.02,;-1.11,.62,;-2.41,1.37,)|
O1CC2C1CCC3CCC4CCCC(C4)CC32 |(4.91,-1.33,;3.61,-2.08,;2.31,-1.33,;3.61,-.58,;3.61,.92,;2.31,1.67,;1.01,.92,;-.07,2.37,;-1.57,2.37,;-2.63,1.31,;-4.13,1.31,;-4.88,.01,;-4.13,-1.29,;-2.63,-1.29,;-1.88,.01,;-.45,-2.35,;1.01,-.58,)|
OC1NCC(C)CC1 |(-2.6,-1.5,;-1.3,-.75,;.0,-1.5,;1.3,-.75,;1.3,.75,;2.6,1.5,;.0,1.5,;-1.3,.75,)|
O1CCC2C1CCC3CCCOC32 |(-3.06,1.15,;-2.45,2.52,;-.96,2.36,;-.65,.9,;-1.95,.15,;-1.95,-1.35,;-.65,-2.1,;.65,-1.35,;1.95,-2.1,;3.25,-1.35,;3.25,.15,;1.95,.9,;.65,.15,)|
OC1N2C(SCC(C)C2C)C1N |(-2.86,-1.39,;-1.8,-.33,;-.3,-.33,;-.3,1.17,;.99,1.92,;2.31,1.17,;2.31,-.35,;3.6,-1.09,;.99,-1.11,;.98,-2.61,;-1.8,1.17,;-4.13,1.79,)|
OC1NCCC(N)C(O)NC(C)C(O)NC(C)C(O)NC(C)C(O)NC(C)C(O)NC(C)C(O)NC1C |(-3.51,1.84,;-3.5,.34,;-2.19,-.4,;-.63,1.64,;-1.93,2.38,;-1.93,3.88,;-3.24,4.62,;-.64,4.65,;-.65,6.15,;.67,3.91,;1.98,4.65,;1.98,6.15,;3.27,3.89,;4.57,4.62,;3.25,2.39,;4.54,1.6,;5.85,2.33,;4.5,.1,;5.77,-.68,;3.18,-.61,;3.11,-2.12,;4.38,-2.91,;1.78,-2.81,;.52,-2.0,;1.71,-4.3,;.39,-5.02,;.36,-6.52,;-.89,-4.24,;-.85,-2.74,;-2.21,-4.95,;-3.5,-4.19,;-4.8,-4.94,;-3.49,-2.69,;-2.18,-1.95,;-4.78,-1.93,;-4.79,-.42,;-6.1,.3,)|
CC1CCCCC1C |(-.33,2.44,;-.33,.94,;-1.62,.19,;-1.62,-1.31,;-.33,-2.06,;.97,-1.31,;.97,.19,;2.27,.94,)|
OC1CCC2C(CCC3CCCCC32)C1 |(4.07,2.75,;2.77,2.0,;1.47,2.75,;.17,2.0,;.17,.5,;1.47,-.25,;1.47,-1.75,;.17,-2.5,;-1.13,-1.75,;-2.42,-2.5,;-3.72,-1.75,;-3.72,-.25,;-2.42,.5,;-1.13,-.25,;2.77,.5,)|
N1CNC2NCNC12 |(1.43,1.21,;2.31,.0,;1.43,-1.21,;.0,-.75,;-1.43,-1.21,;-2.31,.0,;-1.43,1.21,;.0,.75,)|
*N1CC(C)C2CCCCC12 |(-.44,-3.16,;.17,-1.79,;1.64,-1.48,;1.79,.02,;3.09,.77,;.42,.63,;-.04,2.05,;-1.51,2.37,;-2.51,1.25,;-2.05,-.18,;-.58,-.49,)|
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C1CCC2CC3C(CC2C1)CC4CCCCC43 |(-4.78,1.16,;-4.78,-.34,;-3.48,-1.09,;-2.18,-.34,;-.89,-1.09,;.41,-.34,;.41,1.16,;-.89,1.91,;-2.18,1.16,;-3.48,1.91,;1.84,1.63,;2.72,.41,;4.21,.26,;4.82,-1.11,;3.94,-2.33,;2.45,-2.17,;1.84,-.8,)|
OC1CCCC2C(O)CCCC12 |(1.3,3.0,;1.3,1.5,;2.6,.75,;2.6,-.75,;1.3,-1.5,;.0,-.75,;-1.3,-1.5,;-1.3,-3.0,;-2.6,-.75,;-2.6,.75,;-1.3,1.5,;.0,.75,)|
OC1OC2CC3OCCC3C(O)C2CC1 |(4.59,1.6,;3.29,.85,;1.99,1.6,;.69,.85,;-.61,1.6,;-1.91,.85,;-3.33,1.31,;-4.22,.1,;-3.33,-1.11,;-1.91,-.65,;-.61,-1.4,;-.61,-2.9,;.69,-.65,;1.99,-1.4,;3.29,-.65,)|
C1CC2CC3CC4CC5CCC6CC7CC8CC9CCCC%10CC%11CC%12CC%13CCC%14CC%15CC%16CC(C1)C2C%17C3C%18C4C%19C5C6C%20C7C%21C8C(C9%10)C%11C%22C%12C%23C%13C%14C%24C%15C(C%16%17)C%18C%25C%19C%20C(C%21%22)C%23C%24%25 |(-9.09,-5.25,;-7.79,-6.0,;-6.5,-5.25,;-5.2,-6.0,;-3.9,-5.25,;-2.6,-6.0,;-1.3,-5.25,;-.0,-6.0,;1.3,-5.25,;2.6,-6.0,;3.9,-5.25,;3.9,-3.75,;5.2,-3.0,;5.2,-1.5,;6.5,-.75,;6.5,.75,;7.79,1.5,;7.79,3.0,;9.09,3.75,;9.09,5.25,;7.79,6.0,;6.5,5.25,;5.2,6.0,;3.9,5.25,;2.6,6.0,;1.3,5.25,;-.0,6.0,;-1.3,5.25,;-2.6,6.0,;-3.9,5.25,;-3.9,3.75,;-5.2,3.0,;-5.2,1.5,;-6.5,.75,;-6.5,-.75,;-7.79,-1.5,;-7.79,-3.0,;-9.09,-3.75,;-6.5,-3.75,;-5.2,-3.0,;-3.9,-3.75,;-2.6,-3.0,;-1.3,-3.75,;-.0,-3.0,;1.3,-3.75,;2.6,-3.0,;2.6,-1.5,;3.9,-.75,;3.9,.75,;5.2,1.5,;5.2,3.0,;6.5,3.75,;3.9,3.75,;2.6,3.0,;1.3,3.75,;-.0,3.0,;-1.3,3.75,;-2.6,3.0,;-2.6,1.5,;-3.9,.75,;-3.9,-.75,;-5.2,-1.5,;-2.6,-1.5,;-1.3,-.75,;-.0,-1.5,;1.3,-.75,;1.3,.75,;2.6,1.5,;-.0,1.5,;-1.3,.75,)|
N1CCC2CCCCC2C1 |(2.6,-.75,;2.6,.75,;1.3,1.5,;.0,.75,;-1.3,1.5,;-2.6,.75,;-2.6,-.75,;-1.3,-1.5,;.0,-.75,;1.3,-1.5,)|
BrC1CC(C)CC(Br)C1O |(2.6,-1.2,;1.3,-.45,;1.3,1.05,;-.0,1.8,;-.0,3.3,;-1.3,1.05,;-1.3,-.45,;-2.6,-1.2,;-.0,-1.2,;-.0,-2.7,)|
ClC1CC(N)CCC1C |(2.31,-1.33,;1.01,-.58,;-.29,-1.33,;-1.59,-.58,;-2.89,-1.33,;-1.59,.92,;-.29,1.67,;1.01,.92,;2.31,1.67,)|
C1CCCC2CCCCCCC2CC1 |(-3.62,-.75,;-3.62,.75,;-2.56,1.81,;-1.06,1.81,;.0,.75,;1.06,1.81,;2.56,1.81,;3.62,.75,;3.62,-.75,;2.56,-1.81,;1.06,-1.81,;.0,-.75,;-1.06,-1.81,;-2.56,-1.81,)|
S1CNC(C)C1 |(-1.16,1.17,;-1.65,-.2,;-.46,-1.12,;.76,-.26,;2.19,-.75,;.32,1.17,)|
C1CC2CC3(CCCC3C1)CCC4CC42 |(-1.41,-2.71,;.09,-2.71,;1.02,-1.54,;.69,-.08,;-.67,.57,;-.87,2.06,;-2.34,2.32,;-3.05,1.0,;-2.02,-.08,;-2.35,-1.55,;.27,1.74,;1.77,1.75,;2.7,.57,;3.8,-.45,;2.37,-.89,)|
O1C2CCCC3CNCCC4(CCCCC14)C23 |(-1.72,1.8,;-1.99,.33,;-3.29,-.42,;-3.29,-1.92,;-1.99,-2.67,;-.69,-1.92,;.48,-2.86,;1.94,-2.52,;2.59,-1.17,;1.94,.18,;.37,.64,;1.87,.64,;2.62,1.94,;1.87,3.23,;.37,3.23,;-.38,1.94,;-.69,-.42,)|
N1C2CCCCC2C34CCN5CCC(CC13)CC54 |(-.37,-2.48,;-1.58,-1.6,;-3.05,-1.91,;-4.05,-.8,;-3.59,.63,;-2.12,.94,;-1.12,-.17,;.38,-.17,;-.99,.44,;-.83,1.93,;.64,2.24,;1.64,3.36,;4.32,.32,;3.32,-.8,;2.31,-1.91,;.85,-1.6,;2.85,.63,;1.39,.94,)|
ClC1CC(Cl)C(O)C(O)C1Cl |(-2.83,-1.36,;-1.53,-.61,;-1.53,.89,;-.24,1.64,;-.24,3.14,;1.06,.89,;2.36,1.64,;1.06,-.61,;2.36,-1.36,;-.24,-1.36,;-.24,-2.86,)|
[H]1B[H]B1 |(.0,1.06,;1.06,.0,;.0,-1.06,;-1.06,.0,)|
S1SC(C)CC1 |(-1.17,-1.22,;.33,-1.22,;.8,.2,;2.09,.95,;-.42,1.08,;-1.63,.2,)|
O1C(C)CCC1C |(.0,.95,;1.21,.07,;2.51,.82,;.75,-1.36,;-.75,-1.36,;-1.21,.07,;-2.51,.82,)|
C12C3C4C1C5C2C3C45 |(1.08,1.12,;.42,.38,;.42,-1.12,;1.08,-.38,;-.42,-.38,;-.42,1.12,;-1.08,.38,;-1.08,-1.12,)|
*N1CNCC1C |(-.84,2.13,;-.53,.66,;-1.53,-.45,;-.78,-1.75,;.69,-1.44,;.84,.05,;2.14,.8,)|
N12CCCCC1C3CCCCC3CC2 |(1.76,-.05,;3.06,.7,;3.06,2.2,;1.76,2.95,;.46,2.2,;.46,.7,;-.83,-.05,;-2.13,.7,;-3.43,-.05,;-3.43,-1.55,;-2.13,-2.3,;-.83,-1.55,;.46,-2.3,;1.76,-1.55,)|
[As]1[As][As]1 |(.75,-.43,;-.75,-.43,;.0,.87,)|
S1[Fe]2S3[Fe]S4[Fe]3S2[Fe]54S[Fe]67S8[Fe]9S%10[Fe]8S57[Fe]1%10S96 |(-.5,1.9,;.72,1.42,;2.22,1.42,;3.28,.36,;3.28,-1.14,;2.22,-.08,;.72,-.08,;1.78,-1.14,;.66,-2.06,;-.64,-1.31,;-2.14,-1.31,;-2.96,-.34,;-2.96,1.16,;-2.14,.19,;-.64,.19,;-1.46,1.16,;-1.46,-.34,)|
OS1(O)N(C)CC(N)C2CC(S)SC21 |(-1.89,2.3,;-.83,1.24,;.23,2.3,;-2.12,.49,;-3.42,1.24,;-2.12,-1.01,;-.83,-1.76,;-.83,-3.26,;.47,-1.01,;1.9,-1.47,;2.78,-.26,;4.28,-.26,;1.9,.95,;.47,.49,)|
N1CCCC1 |(.0,-1.28,;-1.21,-.39,;-.75,1.03,;.75,1.03,;1.21,-.39,)|
OC1NC(N)NC(N)N1 |(.0,3.0,;.0,1.5,;-1.3,.75,;-1.3,-.75,;-2.6,-1.5,;.0,-1.5,;1.3,-.75,;2.6,-1.5,;1.3,.75,)|
S1NSN1 |(-.75,-.75,;-.75,.75,;.75,.75,;.75,-.75,)|
N1CC2CCCC3(C1)C2CCC45CCC(CC4)CC53 |(-2.62,-.67,;-2.62,-3.75,;-2.23,-2.3,;-3.53,-1.55,;-3.53,-.05,;-2.23,.7,;-.93,-.05,;-.93,1.45,;-.93,-1.55,;.37,-2.3,;1.67,-1.55,;1.67,-.05,;3.78,.32,;3.78,2.59,;1.67,2.95,;2.96,2.2,;2.96,.7,;.37,2.2,;.37,.7,)|
OC1CCC2C3CCCCC3CCC2C1O |(3.82,2.77,;2.52,2.02,;1.22,2.77,;-.08,2.02,;-.08,.52,;-1.38,-.23,;-2.68,.52,;-3.98,-.23,;-3.98,-1.73,;-2.68,-2.48,;-1.38,-1.73,;-.08,-2.48,;1.22,-1.73,;1.22,-.23,;2.52,.52,;3.82,-.23,)|
CC1C2CCC(C2)C1(C)C |(-1.91,1.63,;-.61,.88,;.69,1.63,;1.99,.88,;1.99,-.62,;.69,-1.37,;1.24,.13,;-.61,-.62,;-1.36,-1.92,;-2.11,-.62,)|
OC1CCCC2C(O)C3C(CCC4CC(C)CC(O)C43)C(O)C12 |(-3.56,-3.69,;-3.56,-2.19,;-4.86,-1.44,;-4.86,.07,;-3.56,.81,;-2.26,.07,;-.96,.81,;-.96,2.31,;.34,.07,;.34,-1.44,;1.64,-2.19,;2.94,-1.44,;2.94,.07,;4.24,.81,;4.24,2.31,;5.54,3.06,;2.94,3.06,;1.64,2.31,;.34,3.06,;1.64,.81,;-.96,-2.19,;-.96,-3.69,;-2.26,-1.44,)|
O1CCCC1 |(-.0,-1.28,;1.21,-.39,;.75,1.03,;-.75,1.03,;-1.21,-.39,)|
N1CCC2NCCCC2C1 |(-2.6,-.75,;-2.6,.75,;-1.3,1.5,;.0,.75,;1.3,1.5,;2.6,.75,;2.6,-.75,;1.3,-1.5,;.0,-.75,;-1.3,-1.5,)|
C1CC2CCCC3C4CCCC5CCCC(C(C1)C23)C54 |(-3.9,.75,;-3.9,-.75,;-2.6,-1.5,;-2.6,-3.0,;-1.3,-3.75,;-.0,-3.0,;-.0,-1.5,;1.3,-.75,;2.6,-1.5,;3.9,-.75,;3.9,.75,;2.6,1.5,;2.6,3.0,;1.3,3.75,;-.0,3.0,;-.0,1.5,;-1.3,.75,;-2.6,1.5,;-1.3,-.75,;1.3,.75,)|
OC1NC2CCC(O)C(O)C2CC1C |(3.71,1.83,;2.41,1.07,;1.11,1.82,;-.19,1.07,;-1.49,1.82,;-2.79,1.06,;-2.79,-.44,;-4.09,-1.19,;-1.48,-1.18,;-1.47,-2.69,;-.19,-.42,;1.11,-1.17,;2.41,-.42,;3.72,-1.17,)|
OC1OC2CC(C)CCCC(C)CC(O)C2C1C |(.51,-4.48,;.48,-2.98,;-.75,-2.11,;-.31,-.67,;-1.26,.49,;-2.75,.33,;-3.48,-.97,;-3.36,1.69,;-2.25,2.7,;-.95,1.95,;.4,2.63,;.37,4.13,;1.76,2.01,;2.12,.55,;3.48,-.05,;1.2,-.65,;1.69,-2.07,;3.11,-2.52,)|
C1CCC1 |(.75,.75,;.75,-.75,;-.75,-.75,;-.75,.75,)|
O1CCC2CCC3CCCCC3C12 |(.98,-2.36,;2.47,-2.52,;3.08,-1.15,;1.97,-.15,;1.97,1.35,;.67,2.1,;-.63,1.35,;-1.99,2.1,;-3.29,1.35,;-3.29,-.15,;-1.99,-.9,;-.63,-.15,;.67,-.9,)|
C1CCC2C(C1)CC3C4CCCCC4C5CCCC2C53 |(-5.13,-1.31,;-5.13,.19,;-3.83,.94,;-2.53,.19,;-2.53,-1.31,;-3.83,-2.06,;-1.23,-2.06,;.07,-1.31,;2.66,-1.31,;3.96,-2.06,;5.26,-1.31,;5.26,.19,;3.96,.94,;2.66,.19,;1.36,.94,;1.36,2.44,;.07,3.19,;-1.23,2.44,;-1.23,.94,;.07,.19,)|
OC1C(C)CC2C1CC(C)CC3C4C(O)(C(O)C(C)C23O)C4(C)C |(-4.43,-2.89,;-3.57,-1.66,;-4.06,-.24,;-5.49,.2,;-2.86,.66,;-1.63,-.21,;-2.07,-1.64,;-1.23,-2.88,;.27,-2.99,;.82,-4.39,;1.29,-1.89,;1.07,-.41,;2.37,.34,;2.37,1.84,;3.66,2.59,;1.07,2.59,;1.07,4.09,;-.23,1.84,;-1.53,2.59,;-.23,.34,;-.23,-1.16,;3.67,1.09,;4.96,1.84,;4.96,.34,)|
N1(C)CCCCC1C |(-.33,-.94,;-.33,-2.44,;-1.62,-.19,;-1.62,1.31,;-.33,2.06,;.97,1.31,;.97,-.19,;2.27,-.94,)|
NC1NCN(C)C2NCNC12 |(-.83,2.99,;-.83,1.5,;-2.12,.76,;-2.12,-.75,;-.83,-1.51,;-.83,-3.0,;.48,-.75,;1.91,-1.21,;2.78,-.0,;1.91,1.22,;.48,.76,)|
OC1NC(C)C(N1)C |(-3.0,-.02,;-1.5,-.02,;-.62,1.2,;.81,.73,;2.02,1.61,;.81,-.77,;-.62,-1.23,;2.11,-1.52,)|
N1(C)C2CCCCC2CCC3CCCCC13 |(.0,-1.14,;.0,-2.64,;1.35,-.49,;2.45,-1.51,;3.88,-1.06,;4.22,.4,;3.12,1.42,;1.69,.98,;.75,2.15,;-.75,2.15,;-1.69,.98,;-3.12,1.42,;-4.22,.4,;-3.88,-1.06,;-2.45,-1.51,;-1.35,-.49,)|
OC1C(C)C(C)C(O)C(C)C1C |(-.0,3.0,;-.0,1.5,;-1.3,.75,;-2.6,1.5,;-1.3,-.75,;-2.6,-1.5,;-.0,-1.5,;-.0,-3.0,;1.3,-.75,;2.6,-1.5,;1.3,.75,;2.6,1.5,)|
OC1N(C)CC1 |(-1.85,-1.26,;-.79,-.2,;.71,-.2,;2.01,-.95,;.71,1.3,;-.79,1.3,)|
S1CC2CCCCC2CC3CCCCC13 |(.75,1.97,;-.75,1.97,;-1.69,.8,;-3.12,1.24,;-4.22,.22,;-3.88,-1.24,;-2.45,-1.68,;-1.35,-.66,;-.0,-1.31,;1.35,-.66,;2.45,-1.68,;3.88,-1.24,;4.22,.22,;3.12,1.24,;1.69,.8,)|
OC1CCCC2C1CCC3CCCCC32 |(4.07,-.05,;2.77,.7,;2.77,2.2,;1.47,2.95,;.17,2.2,;.17,.7,;1.47,-.05,;1.47,-1.55,;.17,-2.3,;-1.13,-1.55,;-2.42,-2.3,;-3.72,-1.55,;-3.72,-.05,;-2.42,.7,;-1.13,-.05,)|
O1CCN2CC3CCCC4(C12)C3CCC56CCC(CC5)CC64 |(-1.51,2.97,;-3.01,2.97,;-3.47,1.54,;-2.26,.66,;-2.26,-1.7,;-1.77,-2.98,;-3.07,-2.23,;-3.07,-.73,;-1.77,.02,;-.47,-.73,;-1.05,1.54,;-.47,-2.23,;.83,-2.98,;2.13,-2.23,;2.13,-.73,;3.42,.02,;3.42,1.52,;2.13,2.27,;4.24,1.9,;4.24,-.37,;.83,1.52,;.83,.02,)|
O1COC2CC3C(CCN4CCCC45CCCC35)CC12 |(-4.55,-1.91,;-5.43,-.69,;-4.55,.52,;-3.12,.06,;-1.83,.81,;-.53,.06,;-.53,-1.44,;.65,-2.38,;2.11,-2.04,;2.76,-.69,;4.25,-.49,;4.51,.98,;3.19,1.7,;2.11,.66,;2.88,1.95,;1.89,3.08,;.51,2.49,;.65,.99,;-1.83,-2.19,;-3.12,-1.44,)|
O1CCC2OC2CCCCCCC3CCCCC3C1 |(.27,1.59,;1.57,2.34,;2.87,1.6,;2.87,.1,;4.16,.86,;4.18,-.65,;4.18,-2.17,;2.88,-2.93,;1.58,-2.18,;.28,-2.93,;-1.02,-2.18,;-1.02,-.68,;-2.32,.07,;-3.63,-.69,;-4.92,.07,;-4.92,1.57,;-3.63,2.32,;-2.33,1.58,;-1.03,2.33,)|
CC1CCC2CCCC(C)C2(C)C1 |(3.7,-.98,;2.4,-.23,;2.4,1.27,;1.1,2.02,;-.2,1.27,;-1.5,2.02,;-2.8,1.27,;-2.8,-.23,;-1.5,-.98,;-1.5,-2.48,;-.2,-.23,;-.2,-1.73,;1.1,-.98,)|
N1CC2CCC3C4CCC5CCCCC5C4CCC23C1 |(1.86,3.8,;3.29,3.33,;3.29,1.83,;4.17,.62,;3.29,-.59,;1.86,-.13,;.56,-.88,;.56,-2.38,;-.74,-3.13,;-2.04,-2.38,;-3.34,-3.13,;-4.64,-2.38,;-4.64,-.88,;-3.34,-.13,;-2.04,-.88,;-.74,-.13,;-.74,1.37,;.56,2.12,;1.86,1.37,;.98,2.58,)|
O1COCCC1 |(1.3,-.75,;.0,-1.5,;-1.3,-.75,;-1.3,.75,;-.0,1.5,;1.3,.75,)|
O1C2CCCC(C2)CC3NCCC4CCCC(OC5CCC(CC5)CC6NCCC7CCC1CC67)C34 |(-3.86,3.73,;-3.86,.73,;-2.56,1.48,;-1.26,.73,;-1.26,-.77,;-2.56,-1.52,;-3.86,-.77,;-2.56,-3.02,;-1.26,-3.77,;-2.56,-4.52,;-2.56,-6.02,;-1.26,-6.77,;.04,-6.02,;1.33,-6.77,;2.63,-6.02,;2.63,-4.52,;1.33,-3.77,;2.63,-3.02,;2.63,-1.52,;1.33,-.77,;1.33,.73,;2.63,1.48,;3.93,.73,;3.93,-.77,;2.63,2.98,;1.33,3.73,;2.63,4.48,;2.63,5.98,;1.34,6.73,;.04,5.98,;-1.26,6.73,;-2.56,5.98,;-2.56,4.48,;-1.26,3.73,;.04,4.48,;.04,-4.52,)|
OC1C2CCCCC2C(O)C3CC(C)CCC13 |(-.31,-3.09,;-.31,-1.59,;-1.6,-.84,;-2.9,-1.59,;-4.2,-.84,;-4.2,.66,;-2.9,1.41,;-1.6,.66,;-.31,1.41,;-.31,2.91,;.99,.66,;2.29,1.41,;3.59,.66,;4.89,1.41,;3.59,-.84,;2.29,-1.59,;.99,-.84,)|
[Al]1Cl[Al]Cl1 |(1.06,.01,;-.01,1.05,;-1.05,.01,;-.01,-1.07,)|
N1CCC2CNC3CCCC(C1)C32 |(-.21,-3.05,;1.28,-2.85,;2.04,-1.56,;1.52,-.16,;2.4,1.05,;1.52,2.27,;.09,1.8,;-1.21,2.55,;-2.51,1.8,;-2.51,.3,;-1.21,-.45,;-1.29,-2.02,;.09,.3,)|
NC1CCC(N)CC1 |(2.97,.02,;1.49,.02,;.75,1.31,;-.76,1.29,;-1.5,-.01,;-2.98,-.03,;-.73,-1.3,;.75,-1.29,)|
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O1POCCOP1 |(.01,-1.91,;-1.42,-1.11,;-1.42,.39,;-.67,1.68,;.67,1.68,;1.42,.39,;1.42,-1.11,)|
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N12C3CCC1CC4N5C(CC4)C6CCC7CC8N(C76)[Mg]25N9C(CCC9C8)C3 |(-1.63,1.94,;-1.4,3.42,;-2.73,4.1,;-3.79,3.04,;-3.11,1.68,;-3.86,.39,;-3.11,-.9,;-1.63,-1.17,;-1.4,-2.64,;-2.73,-3.32,;-3.79,-2.26,;-.12,-3.4,;.27,-4.84,;2.15,-4.84,;2.53,-3.32,;3.63,-2.26,;2.91,-.9,;1.44,-1.17,;1.21,-2.64,;-.12,.39,;1.44,1.94,;1.21,3.42,;2.53,4.1,;3.63,3.04,;2.91,1.68,;3.67,.39,;-.12,4.17,)|
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CC1CCC2CC(C)CCC2C1 |(3.9,1.5,;2.6,.75,;2.6,-.75,;1.3,-1.5,;.0,-.75,;-1.3,-1.5,;-2.6,-.75,;-3.9,-1.5,;-2.6,.75,;-1.3,1.5,;.0,.75,;1.3,1.5,)|
OC1CC(O)C(C)C1C |(-1.16,-2.64,;-.71,-1.22,;-1.61,-.01,;-.73,1.22,;-1.2,2.64,;.7,.75,;2.0,1.51,;.7,-.75,;2.0,-1.5,)|
OC1CC(C)CC(O)C1O |(-2.6,-1.2,;-1.3,-.45,;-1.3,1.05,;.0,1.8,;.0,3.3,;1.3,1.05,;1.3,-.45,;2.6,-1.2,;.0,-1.2,;.0,-2.7,)|
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*C1CCC(O)C1* |(1.87,1.82,;.57,1.07,;-.86,1.54,;-1.74,.33,;-.86,-.89,;-1.41,-2.27,;.57,-.42,;1.87,-1.18,)|
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NC1NNCC2CCCCC12 |(1.18,2.73,;1.18,1.23,;2.48,.48,;2.48,-1.02,;1.18,-1.77,;-.12,-1.02,;-1.42,-1.77,;-2.72,-1.02,;-2.72,.48,;-1.42,1.23,;-.12,.48,)|
OC1CC2OC3CCCC(C)C3NC2C4C(O)CC(NC14)C |(3.97,-2.41,;2.69,-1.68,;1.38,-2.44,;.06,-1.69,;-1.24,-2.44,;-2.54,-1.69,;-3.84,-2.44,;-5.12,-1.69,;-5.12,-.19,;-3.84,.54,;-3.85,2.03,;-2.54,-.19,;-1.26,.56,;.04,-.19,;1.35,.58,;1.32,2.11,;.04,2.84,;2.64,2.89,;3.98,2.14,;3.98,.62,;2.67,-.16,;5.25,2.9,)|
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OC1CCC2(C)C(CCC3(C)C2CCC4C5CC(C)(C)CCC5(C)CCC43C)C1(C)C |(-6.58,-3.25,;-5.28,-2.5,;-5.28,-1.0,;-3.98,-.25,;-2.68,-1.0,;-2.68,.5,;-2.68,-2.5,;-1.38,-3.25,;-.08,-2.5,;-.08,-1.0,;-.08,.5,;-1.38,-.25,;-1.38,1.25,;-.08,2.0,;1.22,1.25,;2.52,2.0,;2.52,3.5,;3.81,4.25,;3.06,5.55,;4.57,5.55,;5.11,3.5,;5.11,2.0,;3.81,1.25,;5.11,.5,;3.81,-.25,;2.52,-1.0,;1.22,-.25,;1.22,-1.75,;-3.98,-3.25,;-4.73,-4.89,;-3.29,-4.83,)|
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OC1COC(C)C1O |(-1.83,-1.86,;-1.08,-.56,;-1.54,.87,;-.33,1.75,;.88,.87,;2.31,1.33,;.42,-.56,;1.17,-1.86,)|
SC1CCC2CCCCC2C1 |(3.54,1.36,;2.24,.61,;2.24,-.89,;.94,-1.64,;-.35,-.89,;-1.65,-1.64,;-2.95,-.89,;-2.95,.61,;-1.65,1.36,;-.35,.61,;.94,1.36,)|
O1CCCC2CC3CC4CC5CC6OCC(C5)C64OC3CC12 |(4.46,1.09,;5.75,.33,;5.75,-1.18,;4.44,-1.91,;3.15,-1.16,;1.85,-1.91,;.56,-1.15,;-.75,-1.9,;-2.04,-1.14,;-3.34,-1.89,;-4.64,-1.14,;-4.64,.36,;-3.34,1.12,;-3.33,2.69,;-1.91,3.14,;-1.28,1.94,;-3.5,-.57,;-2.04,.37,;-.74,1.12,;.57,.35,;1.86,1.1,;3.17,.34,)|
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OC1CN(C)CCC1O |(2.07,1.32,;1.04,.67,;1.04,-.83,;-.26,-1.58,;-.24,-3.41,;-1.56,-.83,;-1.56,.67,;-.26,1.42,;-.29,2.58,)|
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OC1O[Sb]23OC(O)C(O2)C4O[Sb]5(OC(O)C(O5)C1O3)OC4O |(-3.26,-3.52,;-2.38,-2.31,;-2.85,-.88,;-1.63,.0,;-2.85,.88,;-2.38,2.31,;-3.26,3.52,;-.88,2.31,;-.42,.88,;.88,2.31,;.42,.88,;1.63,.0,;2.85,-.88,;2.38,-2.31,;3.26,-3.52,;.88,-2.31,;.42,-.88,;-.88,-2.31,;-.42,-.88,;2.85,.88,;2.38,2.31,;3.26,3.52,)|
O1CCC2OCCC12 |(-.98,1.59,;-2.19,.71,;-1.73,-.71,;-.23,-.71,;.98,-1.59,;2.19,-.71,;1.73,.71,;.23,.71,)|
N1CCC23CCCCC3C1CC4CCCCC42 |(3.06,-1.41,;3.08,.09,;.46,.09,;-.84,-.66,;-2.14,-1.41,;-2.14,-2.91,;-.84,-3.66,;.46,-2.91,;.46,-1.41,;1.76,-.66,;1.76,.84,;.46,1.59,;.46,3.09,;-.84,3.84,;-2.14,3.09,;-2.14,1.59,;-.84,.84,)|
ClC1C(O)OC2CC(O)CCC2C1C |(-3.53,1.39,;-2.23,.64,;-2.23,-.86,;-3.53,-1.61,;-.93,-1.61,;.37,-.86,;1.67,-1.61,;2.97,-.86,;4.27,-1.61,;2.97,.64,;1.67,1.39,;.37,.64,;-.93,1.39,;-.93,2.89,)|
OC1CC(C)CCC1C |(2.31,-1.33,;1.01,-.58,;1.01,.92,;-.29,1.67,;-.29,3.17,;-1.59,.92,;-1.59,-.58,;-.29,-1.33,;-.29,-2.83,)|
CC1CC1C |(-2.05,.71,;-.75,-.04,;.0,-1.34,;.75,-.04,;2.05,.71,)|
S1CCC2C1NC3CCCCC32 |(3.14,.07,;3.13,1.56,;1.7,2.03,;.83,.81,;1.71,-.41,;.83,-1.62,;-.6,-1.15,;-1.89,-1.9,;-3.19,-1.15,;-3.19,.34,;-1.89,1.09,;-.6,.34,)|
OC1CC2(C)C(O)CC1C2(C)C |(2.24,-1.75,;.94,-1.0,;.94,.5,;-.36,1.25,;-.36,2.75,;-1.66,.5,;-2.95,1.25,;-1.66,-1.0,;-.36,-1.75,;.1,-.25,;1.55,.14,;1.55,-.64,)|
N1CCC2CCC3NC4CCCCC4C3CC1C2 |(2.33,.66,;3.83,.66,;4.58,-.64,;3.83,-1.94,;2.33,-1.94,;1.58,-.64,;.09,-.64,;-.92,-1.76,;-2.29,-1.15,;-3.66,-1.76,;-4.87,-.87,;-4.72,.62,;-3.35,1.23,;-2.13,.35,;-.67,.66,;.09,1.96,;1.58,1.96,;2.33,3.26,)|
OC1CCNC1C |(1.02,2.05,;.14,.83,;-1.36,.83,;-1.82,-.59,;-.61,-1.47,;.6,-.59,;2.03,-1.06,)|
OC1OCC(C)C2CCC(C)C12 |(1.02,-2.78,;1.02,-1.28,;2.32,-.53,;2.32,.97,;1.02,1.72,;1.02,3.22,;-.28,.97,;-1.71,1.43,;-2.59,.22,;-1.71,-.99,;-2.17,-2.42,;-.28,-.53,)|
N1CC(NC1C)C |(-.39,-1.44,;1.05,-1.04,;1.13,.47,;-.28,1.0,;-1.2,-.18,;-2.71,-.09,;2.39,1.28,)|
CC1(C)C2CCC1(C)CC2 |(1.57,.45,;.03,-.3,;1.57,-1.05,;-.45,-1.8,;.85,-1.05,;.85,.45,;-.45,1.2,;-.45,2.7,;-1.75,.45,;-1.75,-1.05,)|
N1CNC2NCCNC2C1 |(2.6,.75,;2.6,-.75,;1.3,-1.5,;.0,-.75,;-1.3,-1.5,;-2.6,-.75,;-2.6,.75,;-1.3,1.5,;.0,.75,;1.3,1.5,)|
N1NCNC1 |(1.21,.39,;.0,1.28,;-1.21,.39,;-.75,-1.03,;.75,-1.03,)|
OC1CC(C)CCC1(O)C |(2.34,1.09,;1.04,.34,;1.04,-1.16,;-.26,-1.91,;-.26,-3.41,;-1.56,-1.16,;-1.56,.34,;-.26,1.09,;.49,2.39,;-1.01,2.39,)|
N12CCN(CC1)CCC2 |(.56,-1.69,;1.73,-.75,;1.73,.75,;.56,1.69,;-.61,.75,;-.61,-.75,;-.9,1.35,;-1.55,.0,;-.9,-1.35,)|
OC1CCCC2CCCCC12 |(1.18,2.73,;1.18,1.23,;2.48,.48,;2.48,-1.02,;1.18,-1.77,;-.12,-1.02,;-1.42,-1.77,;-2.72,-1.02,;-2.72,.48,;-1.42,1.23,;-.12,.48,)|
O1CCN23CCN45CCO[Gd]167835OCCN8(CC2)CCN7(CCO6)CC4 |(2.9,-2.28,;1.84,-3.34,;.39,-2.95,;-.0,-1.5,;-1.3,-2.25,;-2.25,-1.3,;-1.5,.0,;-2.95,-.39,;-3.34,-1.84,;-2.28,-2.9,;.0,.0,;2.28,2.9,;3.34,1.84,;2.95,.39,;1.5,.0,;2.25,-1.3,;1.3,-2.25,;2.25,1.3,;1.3,2.25,;.0,1.5,;-.39,2.95,;-1.84,3.34,;-2.9,2.28,;-1.3,2.25,;-2.25,1.3,)|
O1C2N3C4CCCCC4C5C3C6N(C1CCC2)C7CCCCC7C6C8CNCC85 |(.03,-2.28,;1.33,-3.03,;1.75,-1.13,;3.12,-.52,;4.49,-1.13,;5.7,-.25,;5.54,1.24,;4.17,1.85,;2.96,.97,;1.49,1.28,;.74,-.02,;-.76,-.02,;-1.76,-1.13,;-1.26,-3.03,;-1.26,-4.53,;.03,-5.28,;1.33,-4.53,;-3.13,-.52,;-4.5,-1.13,;-5.72,-.25,;-5.56,1.24,;-4.19,1.85,;-2.98,.97,;-1.51,1.28,;-.76,2.58,;-1.22,4.01,;-.01,4.89,;1.21,4.01,;.74,2.58,)|
O1CC2CCCCCCCC2C1 |(2.18,2.64,;2.56,1.25,;1.35,.46,;1.73,-1.11,;.98,-2.38,;-.67,-3.13,;-2.08,-2.53,;-2.99,-1.11,;-2.62,.47,;-1.41,1.36,;.24,1.36,;.74,2.7,)|
OC1CCC2C(NC3C(NCCC32)C)C1 |(-4.99,-.32,;-3.52,-.0,;-3.07,1.45,;-1.64,1.77,;-.57,.67,;-1.02,-.78,;.13,-1.57,;1.38,-.73,;2.79,-1.0,;3.73,.11,;3.3,1.49,;1.88,1.74,;.83,.67,;3.29,-2.41,;-2.54,-1.1,)|
O1CC2OC3OCC(OC4OCC(OC5OCC(OC6OCC(OC7OCC(OC1CC2)CC7)CC6)CC5)CC4)CC3 |(-.65,-8.52,;.85,-8.5,;1.59,-7.2,;4.15,-7.3,;5.56,-4.84,;7.06,-4.82,;7.79,-3.52,;7.03,-2.23,;8.4,.26,;6.97,2.39,;7.71,3.7,;6.94,4.99,;5.44,4.97,;3.91,7.12,;1.42,7.23,;.65,8.52,;-.85,8.5,;-1.58,7.2,;-4.2,7.26,;-5.55,4.84,;-7.05,4.82,;-7.79,3.52,;-7.02,2.23,;-8.39,-.26,;-6.97,-2.39,;-7.7,-3.7,;-6.94,-4.99,;-5.44,-4.97,;-3.97,-7.08,;-1.41,-7.23,;-.68,-5.92,;.82,-5.91,;-4.7,-3.66,;-5.47,-2.37,;-5.52,2.24,;-4.79,3.55,;-.82,5.91,;.68,5.92,;4.71,3.66,;5.47,2.37,;5.53,-2.24,;4.79,-3.55,)|
OC1CCCC1 |(-.02,2.31,;-.01,.81,;1.2,-.05,;.77,-1.49,;-.73,-1.49,;-1.21,-.09,)|
OC1C(O)C(O)C(N)C(O)C1O |(.03,-3.0,;.0,-1.5,;1.32,-.73,;2.56,-1.5,;1.31,.79,;2.62,1.54,;-.02,1.48,;-.04,2.98,;-1.28,.73,;-2.6,1.5,;-1.28,-.77,;-2.61,-1.53,)|
N12CCCCC1CC3C(C2)C4CCCCC4C5CCCCC53 |(2.82,-.76,;4.13,-1.52,;5.43,-.77,;5.43,.73,;4.13,1.48,;2.83,.73,;1.55,1.49,;.24,.75,;.24,-.74,;1.53,-1.51,;-1.07,-1.5,;-1.06,-2.99,;-2.36,-3.74,;-3.66,-2.99,;-3.66,-1.49,;-2.36,-.74,;-2.36,.76,;-3.67,1.51,;-3.67,3.01,;-2.36,3.77,;-1.05,3.01,;-1.05,1.51,)|
O1C2CCC3CCNC(CC4CCCC(C4)C5CCCC(CC6NCCC7CCCC1C67)C5)C3C2 |(-.41,-1.24,;2.26,1.05,;2.26,2.55,;3.56,3.3,;4.86,2.55,;6.16,3.3,;7.46,2.55,;7.46,1.05,;6.16,.3,;6.16,-1.2,;4.86,-1.95,;4.86,-3.45,;3.56,-4.2,;2.26,-3.45,;2.26,-1.95,;3.56,-1.2,;-2.24,-1.95,;-2.24,-3.45,;-3.54,-4.2,;-4.84,-3.45,;-4.84,-1.95,;-6.13,-1.2,;-6.13,.3,;-7.43,1.05,;-7.43,2.55,;-6.13,3.3,;-4.84,2.55,;-3.54,3.3,;-2.24,2.55,;-2.24,1.05,;-3.54,.3,;-4.84,1.05,;-3.54,-1.2,;4.86,1.05,;3.56,.3,)|
ClC1CC(Br)CCC1O |(.0,-2.67,;.0,-1.17,;1.3,-.42,;1.3,1.08,;2.6,1.83,;.0,1.83,;-1.3,1.08,;-1.3,-.42,;-2.6,-1.17,)|
N1CNC2CCCCC2C1 |(2.6,-.75,;2.6,.75,;1.3,1.5,;.0,.75,;-1.3,1.5,;-2.6,.75,;-2.6,-.75,;-1.3,-1.5,;.0,-.75,;1.3,-1.5,)|
OC1CC2CCCCC2CC1O |(3.25,1.5,;1.95,.75,;.65,1.5,;-.65,.75,;-1.95,1.5,;-3.25,.75,;-3.25,-.75,;-1.95,-1.5,;-.65,-.75,;.65,-1.5,;1.95,-.75,;3.25,-1.5,)|
OC1N2CC3CC(CN4CCC(O)CC43)C2CCC1 |(3.41,2.76,;3.37,1.26,;2.01,.54,;.92,1.6,;-.55,1.6,;-.85,-.65,;.92,-2.01,;-.55,-2.01,;-1.6,-.96,;-3.0,-1.71,;-4.26,-.96,;-4.26,.54,;-5.59,1.26,;-3.0,1.26,;-1.6,.54,;2.01,-.96,;3.37,-1.71,;4.63,-.96,;4.63,.54,)|
O1CCCC2CC3CCCCC3CC12 |(2.6,1.5,;3.9,.75,;3.9,-.75,;2.6,-1.5,;1.3,-.75,;.0,-1.5,;-1.3,-.75,;-2.6,-1.5,;-3.9,-.75,;-3.9,.75,;-2.6,1.5,;-1.3,.75,;.0,1.5,;1.3,.75,)|
N12CCCC3(C)CCN4C5CCCCC5C(CC1)C4C23 |(2.86,.45,;4.16,-.3,;4.16,-1.8,;2.86,-2.55,;1.56,-1.8,;1.56,-3.3,;.26,-2.55,;-1.04,-1.8,;-1.04,-.3,;-2.34,.45,;-3.64,-.3,;-4.94,.45,;-4.94,1.95,;-3.64,2.7,;-2.34,1.95,;.26,1.95,;1.56,2.7,;2.86,1.95,;.26,.45,;1.56,-.3,)|
N1CCNCC1 |(.0,1.5,;1.3,.75,;1.3,-.75,;.0,-1.5,;-1.3,-.75,;-1.3,.75,)|
C1CCC2C(C1)C3CCCC4C5C6CCCCC6C7CCCC(C2C34)C75 |(-5.73,-2.03,;-5.73,-.53,;-4.43,.22,;-3.13,-.53,;-3.13,-2.03,;-4.43,-2.78,;-1.5,-2.6,;-.75,-3.9,;.75,-3.9,;1.5,-2.6,;.75,-1.3,;1.5,.0,;3.13,.53,;4.43,-.22,;5.73,.53,;5.73,2.03,;4.43,2.78,;3.13,2.03,;1.5,2.6,;.75,3.9,;-.75,3.9,;-1.5,2.6,;-.75,1.3,;-1.5,.0,;-.75,-1.3,;.75,1.3,)|
C1CCC2C3CCC2C(C1)C3 |(-2.71,.04,;-2.06,1.39,;-.6,1.72,;.58,.79,;2.0,1.25,;2.88,.04,;2.0,-1.18,;.58,-.71,;-.6,-1.65,;-2.06,-1.31,;-.02,-.36,)|
OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(O)C)C5(O)CC42OC13O |(-7.63,-3.98,;-6.33,-3.23,;-6.33,-1.73,;-5.03,-.98,;-3.73,-1.73,;-3.73,-.23,;-3.73,-3.23,;-2.43,-3.98,;-1.13,-3.23,;-1.13,-1.73,;.17,-.98,;.17,-2.48,;1.47,-1.73,;2.77,-.98,;4.07,-1.73,;2.77,.52,;2.77,2.02,;1.47,1.27,;1.47,2.77,;2.77,3.52,;2.77,5.02,;4.07,5.77,;4.07,7.27,;5.36,5.02,;5.36,3.52,;4.07,2.77,;4.07,1.27,;4.82,-.03,;5.57,1.27,;.17,.52,;.17,2.02,;-2.43,.52,;-2.43,-.98,;-4.25,-2.65,;-5.03,-3.98,;-5.03,-5.48,)|
OC1CCC2CCCCC12 |(1.96,2.38,;1.5,.95,;2.38,-.26,;1.5,-1.48,;.07,-1.01,;-1.23,-1.76,;-2.52,-1.01,;-2.52,.49,;-1.23,1.24,;.07,.49,)|
C1CCC2C(C1)CC3CCCC4CCC2C43 |(-4.05,-1.04,;-4.02,.45,;-2.71,1.18,;-1.43,.4,;-1.47,-1.1,;-2.77,-1.82,;-.19,-1.89,;1.13,-1.18,;2.46,-1.89,;3.74,-1.1,;3.68,.4,;2.35,1.11,;1.88,2.54,;.37,2.54,;-.09,1.11,;1.13,.28,)|
OC1CCCC2C(O)C3CC(C)CC(O)C3C(O)C12 |(-2.87,2.76,;-2.87,1.26,;-4.17,.51,;-4.17,-.99,;-2.87,-1.74,;-1.57,-.99,;-.27,-1.74,;-.27,-3.24,;1.03,-.99,;2.33,-1.74,;3.62,-.99,;4.92,-1.74,;3.62,.51,;2.33,1.26,;2.32,2.76,;1.03,.51,;-.27,1.26,;-.27,2.76,;-1.57,.51,)|
[Te]1CCCC1 |(-.0,1.28,;1.21,.39,;.75,-1.03,;-.75,-1.03,;-1.21,.39,)|
[H]1B234[H]B564[H]B786[H]B138B257 |(.0,2.05,;-.75,.75,;-2.05,.0,;-.75,-.75,;.0,-2.05,;.75,-.75,;2.05,.0,;.75,.75,;.0,.0,)|
O1CCCCCOC2CCN3CCC(C1)C32 |(2.1,1.5,;1.71,2.95,;.65,4.01,;-.65,4.01,;-1.71,2.95,;-2.1,1.5,;-1.04,.44,;-1.43,-1.01,;-2.31,-2.22,;-1.43,-3.44,;-.0,-2.97,;1.43,-3.44,;2.31,-2.22,;1.43,-1.01,;1.04,.44,;-.0,-1.47,)|
OC1NC2CCCC(O)C2CC1 |(3.7,-1.64,;2.36,-.86,;1.08,-1.64,;-.21,-.86,;-1.52,-1.64,;-2.81,-.86,;-2.81,.63,;-1.52,1.37,;-1.52,2.87,;-.21,.63,;1.08,1.37,;2.36,.63,)|
O1CCCC2NC3CNCNC3NC12 |(2.6,-1.5,;3.9,-.75,;3.9,.75,;2.6,1.5,;1.3,.75,;-.0,1.5,;-1.3,.75,;-2.6,1.5,;-3.9,.75,;-3.9,-.75,;-2.6,-1.5,;-1.3,-.75,;-.0,-1.5,;1.3,-.75,)|
N1C(C)CCC2CCCCC12 |(.94,-1.37,;2.24,-.62,;3.54,-1.37,;2.25,.89,;.95,1.64,;-.36,.88,;-1.65,1.64,;-2.95,.89,;-2.95,-.61,;-1.65,-1.36,;-.36,-.61,)|
CC1CCC2C3CCC4CCCCC4(C)C3CCC12C |(3.44,3.48,;3.44,1.98,;4.32,.76,;3.44,-.45,;2.01,.01,;.71,-.74,;.71,-2.24,;-.59,-2.99,;-1.89,-2.24,;-3.19,-2.99,;-4.49,-2.24,;-4.49,-.74,;-3.19,.01,;-1.89,-.74,;-1.89,.76,;-.59,.01,;-.59,1.51,;.71,2.26,;2.01,1.51,;2.01,3.01,)|
O1C2NCC3CCCC24C3CC1C56CCC(CC5)CC64 |(-.08,-.53,;-.93,1.38,;-2.9,-.59,;-2.94,-3.63,;-2.22,-2.26,;-3.5,-1.53,;-3.5,.01,;-2.22,.7,;-.93,.01,;-.93,-1.53,;.36,-2.26,;1.64,-1.53,;1.64,.01,;4.17,.01,;4.21,2.97,;1.64,2.97,;2.88,2.2,;2.88,.7,;.36,2.2,;.36,.7,)|
C1CCC2CCCCC2C1 |(-2.6,.75,;-2.6,-.75,;-1.3,-1.5,;.0,-.75,;1.3,-1.5,;2.6,-.75,;2.6,.75,;1.3,1.5,;.0,.75,;-1.3,1.5,)|
OC1CCC(C)CC1O |(-.29,-2.83,;-.29,-1.33,;-1.59,-.58,;-1.59,.92,;-.29,1.67,;-.29,3.17,;1.01,.92,;1.01,-.58,;2.31,-1.33,)|
C1CCC2CC3CC4CC5CC6CCCCC6CC5CC4CC3CC2C1 |(-7.79,.75,;-7.79,-.75,;-6.5,-1.5,;-5.2,-.75,;-3.9,-1.5,;-2.6,-.75,;-1.3,-1.5,;.0,-.75,;1.3,-1.5,;2.6,-.75,;3.9,-1.5,;5.2,-.75,;6.5,-1.5,;7.79,-.75,;7.79,.75,;6.5,1.5,;5.2,.75,;3.9,1.5,;2.6,.75,;1.3,1.5,;.0,.75,;-1.3,1.5,;-2.6,.75,;-3.9,1.5,;-5.2,.75,;-6.5,1.5,)|
C1CCC2CC3C(CC2C1)C4CC5CCCCC5CC4C6CC7CCCCC7CC6C8CC9CCCCC9CC38 |(-.75,7.01,;.75,7.01,;1.5,5.71,;.75,4.41,;1.5,3.11,;.75,1.81,;-.75,1.81,;-1.5,3.11,;-.75,4.41,;-1.5,5.71,;-1.81,.75,;-3.11,1.5,;-4.41,.75,;-5.71,1.5,;-7.01,.75,;-7.01,-.75,;-5.71,-1.5,;-4.41,-.75,;-3.11,-1.5,;-1.81,-.75,;-.75,-1.81,;-1.5,-3.11,;-.75,-4.41,;-1.5,-5.71,;-.75,-7.01,;.75,-7.01,;1.5,-5.71,;.75,-4.41,;1.5,-3.11,;.75,-1.81,;1.81,-.75,;3.11,-1.5,;4.41,-.75,;5.71,-1.5,;7.01,-.75,;7.01,.75,;5.71,1.5,;4.41,.75,;3.11,1.5,;1.81,.75,)|
S1CCCC1C |(-.44,-1.13,;-1.65,-.25,;-1.19,1.18,;.31,1.18,;.77,-.25,;2.2,-.71,)|
OC1C(C)C2C3N4C(CC5N6C(CC7N8C(CC9N(C2C1C9C)[Mg]684)C(C)C7C)C(C)C5C)C(C)C3C |(2.92,-6.03,;2.17,-4.73,;.29,-4.73,;-.46,-6.03,;-.09,-3.28,;-1.38,-2.52,;-1.61,-1.04,;-3.09,-.78,;-3.85,.51,;-3.09,1.8,;-1.61,2.07,;-1.38,3.55,;-.09,4.31,;1.23,3.55,;1.46,2.07,;2.94,1.8,;3.7,.51,;2.94,-.78,;1.46,-1.04,;1.23,-2.52,;2.56,-3.21,;3.66,-2.14,;5.11,-2.53,;-.09,.51,;3.66,3.17,;5.11,3.56,;2.56,4.23,;2.95,5.68,;-2.71,4.23,;-3.1,5.68,;-3.77,3.17,;-5.22,3.56,;-3.77,-2.14,;-5.22,-2.53,;-2.71,-3.21,;-2.71,-4.71,)|
O1CCCC2CCC3CCCCC3C12 |(.44,-2.18,;1.73,-2.95,;3.04,-2.21,;3.06,-.7,;1.76,.05,;1.77,1.55,;.46,2.31,;-.83,1.56,;-2.12,2.29,;-3.41,1.55,;-3.41,.06,;-2.12,-.69,;-.83,.05,;.45,-.69,)|
OC1CCC(C)CC1 |(-2.6,-1.5,;-1.32,-.75,;.03,-1.5,;1.3,-.75,;1.3,.75,;2.58,1.5,;.03,1.5,;-1.32,.75,)|
O1C2CC3C4CCC(C)C4(C)CCC3C5(C)CCCCC125 |(-1.74,-3.63,;-.5,-2.8,;.8,-2.05,;.8,-.55,;2.1,.2,;3.52,-.27,;4.4,.95,;3.52,2.16,;3.52,3.66,;2.1,1.7,;2.1,3.2,;.8,2.45,;-.5,1.7,;-.5,.2,;-1.8,-.55,;-1.8,.95,;-3.1,.2,;-4.4,-.55,;-4.4,-2.05,;-3.1,-2.8,;-1.8,-2.05,)|
C12C3C4C5C1*2345 |(-1.32,-.1,;-.72,-1.08,;.71,-1.08,;1.31,-.1,;-.01,.62,;.02,1.72,)|
C1CCC2C(C1)C3CCCC4CCCC2C43 |(-3.93,-.75,;-3.94,.75,;-2.65,1.51,;-1.34,.77,;-1.34,-.73,;-2.62,-1.49,;.08,-1.2,;.76,-2.54,;2.25,-2.63,;3.07,-1.37,;2.39,-.01,;3.11,1.31,;2.33,2.6,;.82,2.55,;.1,1.23,;.92,.0,)|
O1[Bi]OC2CCCCC12 |(-1.72,1.21,;-2.6,.0,;-1.72,-1.21,;-.29,-.75,;1.01,-1.5,;2.31,-.75,;2.31,.75,;1.01,1.5,;-.29,.75,)|
OC1CC(O)C2C(O)OC(C)CC2C1 |(-3.9,1.71,;-2.6,.96,;-2.6,-.54,;-1.3,-1.29,;-1.3,-2.79,;-.0,-.54,;1.3,-1.29,;1.3,-2.79,;2.6,-.54,;2.6,.96,;3.9,1.71,;1.3,1.71,;-.0,.96,;-1.3,1.71,)|
O1CC2O[Sb]13OCC(O3)C4O[Sb]5(OCC2O5)OC4 |(2.85,-.88,;2.38,-2.31,;.88,-2.31,;.42,-.88,;1.63,.0,;2.85,.88,;2.38,2.31,;.88,2.31,;.42,.88,;-.88,2.31,;-.42,.88,;-1.63,.0,;-2.85,-.88,;-2.38,-2.31,;-.88,-2.31,;-.42,-.88,;-2.85,.88,;-2.38,2.31,)|
OC1CCCC2C(O)C3CC(C)C(C)C(O)C3C(O)C12 |(-3.12,-2.7,;-3.12,-1.2,;-4.42,-.45,;-4.42,1.05,;-3.12,1.8,;-1.82,1.05,;-.52,1.8,;-.52,3.3,;.78,1.05,;2.08,1.8,;3.38,1.05,;4.68,1.8,;3.38,-.45,;4.68,-1.2,;2.08,-1.2,;2.08,-2.7,;.78,-.45,;-.52,-1.2,;-.52,-2.7,;-1.82,-.45,)|
N1CCCC1C |(1.21,-.07,;.75,-1.5,;-.75,-1.5,;-1.21,-.07,;-.0,.81,;-.0,2.31,)|
OC1CCC(N)CC1C |(-.29,-2.83,;-.29,-1.33,;-1.59,-.58,;-1.59,.92,;-.29,1.67,;-.29,3.17,;1.01,.92,;1.01,-.58,;2.31,-1.33,)|
N1CCC23C4NCCC3(C1NC5CCCCC52)C6CCCCC6N4 |(1.95,-2.62,;1.95,-4.12,;-.65,-1.12,;-.65,.38,;-.65,1.88,;-1.95,2.62,;-1.95,4.12,;.65,1.12,;.65,-.38,;.65,-1.88,;-.65,-2.62,;-1.95,-1.88,;-3.25,-2.62,;-4.55,-1.88,;-4.55,-.38,;-3.25,.38,;-1.95,-.38,;1.95,.38,;3.25,-.38,;4.55,.38,;4.55,1.88,;3.25,2.62,;1.95,1.88,;.65,2.62,)|
C1CCC2CC3CC4C(CCC5CC6CC7CCCCC7CC6CC54)CC3CC2C1 |(6.37,5.47,;5.07,6.22,;3.77,5.47,;3.77,3.98,;2.47,3.23,;2.47,1.73,;1.17,.97,;1.17,-.53,;2.47,-1.27,;2.47,-2.77,;1.17,-3.52,;-.13,-2.77,;-1.43,-3.52,;-2.73,-2.77,;-4.03,-3.52,;-5.33,-2.77,;-6.62,-3.52,;-7.92,-2.77,;-7.92,-1.27,;-6.62,-.53,;-5.33,-1.27,;-4.03,-.53,;-2.73,-1.27,;-1.43,-.53,;-.13,-1.27,;3.77,-.53,;3.77,.97,;5.07,1.73,;5.07,3.23,;6.37,3.98,)|
SC1CCCCC1C |(2.27,.94,;.97,.19,;.97,-1.31,;-.33,-2.06,;-1.62,-1.31,;-1.62,.19,;-.33,.94,;-.33,2.44,)|
OC1CCC2CCCCC2C1O |(3.46,1.12,;2.17,.38,;2.17,-1.12,;.87,-1.88,;-.43,-1.12,;-1.73,-1.88,;-3.03,-1.12,;-3.03,.38,;-1.73,1.12,;-.43,.38,;.87,1.12,;.87,2.62,)|
N1C2CCCCC2C3CCCCC13 |(-.0,1.84,;1.21,.96,;2.68,1.27,;3.68,.16,;3.22,-1.27,;1.75,-1.58,;.75,-.47,;-.75,-.47,;-1.75,-1.58,;-3.22,-1.27,;-3.68,.16,;-2.68,1.27,;-1.21,.96,)|
FC1CC2C3CC(C)C(O)(C)C3(C)CC(O)C2(F)C4(C)CCC(O)CC14 |(-.67,-4.34,;-.67,-2.85,;.66,-2.08,;.66,-.59,;1.95,.18,;3.39,-.28,;4.27,.95,;5.77,.97,;3.39,2.14,;4.83,1.76,;3.39,3.68,;1.95,1.67,;1.95,3.12,;.66,2.45,;-.67,1.67,;-1.96,2.45,;-.67,.18,;-.67,-1.26,;-1.96,-.59,;-1.96,.95,;-3.3,.18,;-4.58,-.59,;-4.58,-2.03,;-5.92,-2.8,;-3.3,-2.85,;-1.96,-2.08,)|
OC1CC(O)C(C)CC1O |(-2.6,-1.5,;-1.3,-.75,;-1.3,.75,;-.0,1.5,;-.0,3.0,;1.3,.75,;2.6,1.5,;1.3,-.75,;-.0,-1.5,;-.0,-3.0,)|
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(O)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C42Cl |(-3.44,-.69,;-2.14,-1.44,;-2.89,-2.74,;-.21,-.18,;-.21,-1.68,;-.21,1.32,;-.67,2.75,;1.29,1.32,;1.62,2.79,;2.51,1.58,;3.26,2.88,;.59,.33,;.59,1.82,;-.91,.33,;-2.37,.66,;-.91,-1.18,;-1.06,-2.67,;.59,-1.18,;.88,-2.65,;1.29,-.18,;2.4,-1.19,)|
N1CCCCCCCCCCCCCCCC2CCCC1C2 |(.22,.96,;1.51,1.71,;2.81,.96,;4.11,1.71,;5.41,.96,;5.41,-.54,;4.11,-1.29,;4.11,-2.79,;2.81,-3.54,;1.51,-2.79,;.22,-3.54,;-1.08,-2.79,;-3.25,-2.94,;-3.68,-1.29,;-4.97,-.54,;-4.97,.96,;-3.68,1.71,;-3.68,3.21,;-2.38,3.96,;-1.08,3.21,;-1.08,1.71,;-2.38,.96,)|
O1C2C1C3CCCCC3C4CCCCC24 |(3.29,.0,;1.99,.75,;1.99,-.75,;.69,-1.5,;.69,-3.0,;-.61,-3.75,;-1.91,-3.0,;-1.91,-1.5,;-.61,-.75,;-.61,.75,;-1.91,1.5,;-1.91,3.0,;-.61,3.75,;.69,3.0,;.69,1.5,)|
N1CC(C)C2CCCCC12 |(1.5,-1.48,;2.38,-.27,;1.5,.94,;1.97,2.37,;.08,.49,;-1.22,1.24,;-2.52,.5,;-2.53,-1.0,;-1.23,-1.76,;.07,-1.01,)|
N1CC(C)CC(C)C1 |(.0,1.88,;1.3,1.12,;1.3,-.38,;2.6,-1.12,;.0,-1.12,;-1.3,-.38,;-2.6,-1.12,;-1.3,1.12,)|
OC1C(O)C(O)C(C)C(C)C1O |(-2.6,-1.5,;-1.3,-.75,;-1.3,.75,;-2.6,1.5,;-.0,1.5,;-.0,3.0,;1.3,.75,;2.6,1.5,;1.3,-.75,;2.6,-1.5,;-.0,-1.5,;-.0,-3.0,)|
O1P2OP3OP1OP(O2)O3 |(.43,-.75,;.0,.0,;.43,.75,;1.3,.75,;1.3,-.75,;.0,-1.5,;-1.3,-.75,;-1.3,.75,;-.87,.0,;.0,1.5,)|
O1CCC2CC3CCCCC3NC12 |(3.02,-1.21,;3.9,-.01,;3.02,1.21,;1.6,.76,;.29,1.5,;-1.0,.75,;-2.29,1.5,;-3.59,.74,;-3.58,-.76,;-2.28,-1.5,;-.99,-.75,;.29,-1.49,;1.6,-.75,)|
OC1C2CCCCC2SC3C(C)CCC(N)C13 |(-.3,2.71,;-.3,1.27,;-1.54,.55,;-2.83,1.32,;-4.14,.58,;-4.14,-.92,;-2.83,-1.66,;-1.54,-.89,;-.3,-1.61,;.95,-.89,;2.24,-1.66,;2.22,-3.1,;3.54,-.92,;3.54,.58,;2.24,1.32,;2.22,2.76,;.95,.55,)|
N1CC(C)CCC1C |(.0,-1.5,;-1.3,-.75,;-1.3,.75,;-2.6,1.5,;.0,1.5,;1.3,.75,;1.3,-.75,;2.6,-1.5,)|
N1C2CN3C4CCCCC4CC3C12 |(4.1,-.75,;2.8,-1.5,;1.37,-1.96,;.49,-.75,;-.94,-.28,;-2.24,-1.03,;-3.54,-.28,;-3.54,1.22,;-2.24,1.97,;-.94,1.22,;.49,1.68,;1.37,.47,;2.8,.0,)|
[Re]1N2CCCC3CCC4CCCN1C4C23 |(-3.2,.0,;-1.44,-1.5,;-1.44,-3.0,;-.14,-3.75,;1.16,-3.0,;1.16,-1.5,;2.46,-.75,;2.46,.75,;1.16,1.5,;1.16,3.0,;-.14,3.75,;-1.44,3.0,;-1.44,1.5,;-.14,.75,;-.14,-.75,)|
OC1CC(C)C(C)C(C)C1 |(-2.86,-1.65,;-1.56,-.9,;-.26,-1.65,;1.04,-.9,;2.34,-1.65,;1.04,.6,;2.34,1.35,;-.26,1.35,;-.26,2.85,;-1.56,.6,)|
N1C(C)CCCC1C |(.01,-1.13,;1.3,-.38,;2.59,-1.12,;1.3,1.12,;.01,1.88,;-1.3,1.12,;-1.3,-.38,;-2.61,-1.13,)|
OC1CC2(OCC(C)(C1)C2(O)C)C |(-2.93,-1.61,;-1.63,-.86,;-.33,-1.61,;.97,-.86,;-.51,-.64,;-1.03,.35,;-.33,1.39,;-.35,2.93,;-1.63,.64,;.97,.64,;2.27,-.11,;2.27,1.39,;2.27,-1.61,)|
OC1CCC2C(CC1O)C(N)CCC3CC(O)C(O)C(O)C32 |(-2.07,-4.61,;-1.84,-3.22,;-.34,-2.91,;.34,-1.59,;-.34,-.27,;-1.79,.09,;-2.93,-.81,;-2.93,-2.31,;-4.29,-3.04,;-2.38,1.41,;-3.93,1.41,;-1.79,2.78,;-.34,3.09,;.84,2.19,;2.16,2.96,;3.43,2.19,;4.8,2.91,;3.43,.69,;4.8,-.04,;2.16,-.04,;2.16,-1.54,;.84,.69,)|
N1C2CCCC1CCC2 |(.01,-.73,;-1.95,.09,;-1.37,1.48,;-.01,2.04,;1.37,1.47,;1.95,.07,;1.37,-1.28,;.01,-1.84,;-1.37,-1.29,)|
O1C2OC3CC1CC4(NCNCC34)C2 |(2.16,2.01,;1.06,2.42,;-.04,2.01,;-.04,.51,;1.06,-.12,;2.16,.51,;1.49,-1.07,;.46,-.44,;-.52,-2.03,;-2.0,-1.4,;-3.1,-2.03,;-2.12,-.44,;-1.02,-1.07,;.46,1.13,)|
OC1OCC2C3CCC(C)C3(C)CCC2C4(C)CC(O)C(O)CC14 |(-1.65,-4.32,;-.9,-3.02,;.59,-3.13,;1.61,-2.03,;1.39,-.55,;2.69,.2,;4.12,-.26,;5.0,.95,;4.12,2.16,;4.12,3.66,;2.69,1.7,;2.69,3.2,;1.39,2.45,;.09,1.7,;.09,.2,;-1.3,-.35,;-.92,1.1,;-2.33,.75,;-3.79,.42,;-4.85,1.48,;-4.23,-1.01,;-5.68,-1.4,;-3.21,-2.12,;-1.75,-1.78,)|
OC1NCCCCC1N |(-.28,2.65,;-.28,1.15,;-1.63,.49,;-1.97,-.97,;-1.03,-2.14,;.47,-2.14,;1.41,-.97,;1.07,.49,;2.24,1.43,)|
O1CCC2CC3N4C2(C1)C5N6C(CC5)CC7N8C(CC7)CC9N(C(CC9)C3)[Co]864 |(-6.2,1.13,;-5.51,2.96,;-4.58,3.57,;-3.07,2.4,;-1.99,3.45,;-.66,2.75,;-.9,1.28,;-2.38,1.04,;-4.13,-.03,;-2.38,-1.7,;-.91,-1.92,;-.67,-3.4,;-1.99,-4.08,;-3.07,-3.05,;.71,-3.91,;2.05,-3.35,;2.32,-1.88,;3.8,-1.67,;4.45,-3.04,;3.36,-4.06,;4.4,-.29,;3.84,1.09,;2.35,1.23,;2.04,2.69,;3.32,3.46,;4.45,2.46,;.71,3.26,;.63,-.38,)|
N1CCCC2C1CCC3CCCNC32 |(-2.13,2.3,;-3.43,1.55,;-3.43,.05,;-2.13,-.7,;-.83,.05,;-.83,1.55,;.46,2.3,;1.76,1.55,;1.76,.05,;3.06,-.7,;3.06,-2.2,;1.76,-2.95,;.46,-2.2,;.46,-.7,)|
O1C(C)C(C)C2C1CC3C4CCC5CCCCC5(C)C4CCC32C |(4.75,.73,;4.75,2.23,;6.05,2.98,;3.33,2.7,;3.33,4.2,;2.45,1.48,;3.33,.27,;2.45,-.94,;1.02,-.48,;-.28,-1.23,;-.28,-2.73,;-1.58,-3.48,;-2.88,-2.73,;-4.18,-3.48,;-5.47,-2.73,;-5.47,-1.23,;-4.18,-.48,;-2.88,-1.23,;-2.88,.27,;-1.58,-.48,;-1.58,1.02,;-.28,1.77,;1.02,1.02,;1.02,2.52,)|
N12CCCC1CCC2 |(.0,-.75,;1.43,-1.21,;2.31,.0,;1.43,1.21,;.0,.75,;-1.43,1.21,;-2.31,.0,;-1.43,-1.21,)|
O1C2CCC(CC2)CC3NCCC4CCCC(OC5CCC6CCNC(CC7CCCC1C7)C6C5)C34 |(.2,-3.4,;-1.3,-3.4,;-2.6,-4.15,;-3.9,-3.4,;-3.9,-1.9,;-2.6,-1.15,;-1.3,-1.9,;-5.2,-1.15,;-5.2,.35,;-6.5,1.1,;-6.5,2.6,;-5.2,3.35,;-3.9,2.6,;-2.6,3.35,;-1.3,2.6,;-1.3,1.1,;-2.6,.35,;-.01,.35,;1.29,1.1,;1.29,2.6,;2.59,3.35,;3.89,2.6,;5.19,3.35,;6.49,2.6,;6.49,1.1,;5.19,.35,;5.19,-1.15,;3.89,-1.9,;3.89,-3.4,;2.59,-4.15,;1.29,-3.4,;1.29,-1.9,;2.59,-1.15,;3.89,1.1,;2.59,.35,;-3.9,1.1,)|
N12CCCCC1CC3CCC4C5CCC6CCCCC6C5CC4C3C2 |(2.81,3.36,;2.81,4.86,;4.11,5.61,;5.4,4.86,;5.4,3.36,;4.11,2.61,;4.11,1.11,;2.81,.36,;2.81,-1.14,;1.51,-1.89,;.21,-1.14,;-1.09,-1.89,;-1.09,-3.39,;-2.39,-4.14,;-3.69,-3.39,;-4.99,-4.14,;-6.29,-3.39,;-6.29,-1.89,;-4.99,-1.14,;-3.69,-1.89,;-2.39,-1.14,;-2.39,.36,;.21,.36,;1.51,1.11,;1.51,2.61,)|
S1CNC2CCCCC12 |(1.72,1.21,;2.6,.0,;1.72,-1.21,;.29,-.75,;-1.01,-1.5,;-2.31,-.75,;-2.31,.75,;-1.01,1.5,;.29,.75,)|
OC1CCC(O)C(C)C1 |(-.29,-3.17,;-.29,-1.67,;-1.59,-.92,;-1.59,.58,;-.29,1.33,;-.29,2.83,;1.01,.58,;2.31,1.33,;1.01,-.92,)|
O1[Si]O[Si]O[Si]O[Si]1 |(1.38,1.38,;.0,1.96,;-1.38,1.38,;-1.96,.0,;-1.38,-1.38,;.0,-1.96,;1.38,-1.38,;1.96,.0,)|
S1CCCN2CCC12 |(.7,1.5,;2.0,.75,;2.0,-.75,;.7,-1.5,;-.6,-.75,;-2.1,-.75,;-2.1,.75,;-.6,.75,)|
N12C3CC4N5C(CC6N7C(CC8N(C(CC1C(C)C3C)C(C)C8C)[Mg]257)C(C)C6C)C(C)C4C |(-1.54,1.56,;-3.02,1.29,;-3.78,.0,;-3.02,-1.29,;-1.54,-1.56,;-1.31,-3.04,;-.02,-3.79,;1.31,-3.04,;1.53,-1.56,;3.01,-1.29,;3.77,.0,;3.01,1.29,;1.53,1.56,;1.31,3.04,;-.02,3.79,;-1.31,3.04,;-2.64,3.72,;-3.03,5.17,;-3.7,2.66,;-5.15,3.04,;2.63,3.72,;3.02,5.17,;3.73,2.66,;5.18,3.04,;-.02,.0,;3.73,-2.66,;5.18,-3.04,;2.63,-3.72,;3.02,-5.17,;-2.64,-3.72,;-3.03,-5.17,;-3.7,-2.66,;-5.15,-3.04,)|
OB1(O)OOB(O)(O)OO1 |(-.75,-2.8,;-.0,-1.5,;.75,-2.8,;1.3,-.75,;1.3,.75,;-.0,1.5,;.75,2.8,;-.75,2.8,;-1.3,.75,;-1.3,-.75,)|
N1C2CCCCC2C3CCN4CC5CCC4C(C5)C13 |(-1.33,-.78,;-2.63,-.03,;-3.93,-.78,;-5.23,-.03,;-5.23,1.47,;-3.93,2.22,;-2.63,1.47,;-.03,1.47,;.73,2.39,;2.23,2.39,;3.31,1.15,;3.31,-1.73,;2.56,-3.03,;3.86,-2.28,;3.86,-.78,;2.56,-.03,;1.26,-.78,;1.26,-2.28,;-.03,-.03,)|
N1CC(C)C(C)C1C |(-1.75,.33,;-.87,1.54,;.56,1.08,;1.86,1.83,;.56,-.42,;1.86,-1.17,;-.87,-.88,;-1.33,-2.31,)|
S1C2CCCCC2CC3CCCCC13 |(.0,-1.44,;-1.25,-.72,;-2.54,-1.49,;-3.84,-.75,;-3.84,.75,;-2.54,1.49,;-1.25,.72,;.0,1.44,;1.25,.72,;2.54,1.49,;3.84,.75,;3.84,-.75,;2.54,-1.49,;1.25,-.72,)|
N1C2CCC1CC3NC(CC3)CC4NC(CC4)CC5NC(CC5)C2 |(-1.54,1.55,;-3.01,1.29,;-3.69,2.65,;-2.63,3.71,;-1.31,3.03,;-.02,3.79,;1.3,3.03,;1.53,1.55,;3.01,1.29,;3.73,2.65,;2.63,3.71,;3.77,.0,;3.01,-1.29,;1.53,-1.55,;1.3,-3.03,;2.63,-3.71,;3.73,-2.65,;-.02,-3.79,;-1.31,-3.03,;-1.54,-1.55,;-3.01,-1.29,;-3.69,-2.65,;-2.63,-3.71,;-3.77,.0,)|
ClC1CCCC(O)C1O |(-.58,-2.67,;-.58,-1.17,;-1.88,-.42,;-1.88,1.08,;-.58,1.83,;.72,1.08,;2.02,1.83,;.72,-.42,;2.02,-1.17,)|
CC1CCCC(C)C2CC(C)(C)C2CC1 |(-1.23,3.77,;-1.24,2.27,;.06,1.52,;1.36,2.27,;2.66,1.52,;2.66,.02,;3.96,-.73,;1.36,-.73,;.91,-2.23,;-.79,-2.23,;-1.18,-3.67,;-2.23,-2.6,;-1.24,-.73,;-2.54,.02,;-2.54,1.52,)|
O1COC2C1CCC3CCC4CC5OCOC5CC4CCNCC23 |(5.11,3.84,;5.98,2.61,;5.11,1.41,;3.68,1.87,;3.68,3.37,;2.41,4.12,;1.09,3.38,;1.08,1.88,;-.22,1.13,;-.21,-.38,;-1.51,-1.13,;-2.79,-.38,;-4.09,-1.13,;-5.54,-.66,;-6.42,-1.88,;-5.55,-3.07,;-4.1,-2.63,;-2.8,-3.39,;-1.5,-2.64,;-.27,-3.35,;1.04,-2.61,;1.06,-1.12,;2.37,-.38,;2.38,1.12,)|
OC1CC2CCCCC2C3CCCCC13 |(2.86,-2.15,;1.56,-1.4,;.26,-2.15,;-1.04,-1.4,;-2.34,-2.15,;-3.64,-1.4,;-3.64,.1,;-2.34,.85,;-1.04,.1,;.26,.85,;.26,2.35,;1.56,3.1,;2.86,2.35,;2.86,.85,;1.56,.1,)|
O1CCC2CCCC2C1 |(-2.31,-.75,;-2.31,.75,;-1.01,1.5,;.29,.75,;1.72,1.21,;2.6,-.0,;1.72,-1.21,;.29,-.75,;-1.01,-1.5,)|
O1CCC2CC3NC12CC4NC(CC4)CC5NC(CC5)CC6NC(CC6)C3 |(-4.55,1.41,;-5.12,2.64,;-4.12,3.65,;-3.19,2.4,;-2.12,3.46,;-.78,2.74,;-1.03,1.28,;-2.51,1.04,;-3.22,-.34,;-2.51,-1.71,;-1.03,-1.93,;-.79,-3.41,;-2.12,-4.09,;-3.19,-3.06,;.59,-3.92,;1.94,-3.36,;2.2,-1.89,;3.69,-1.69,;4.34,-3.05,;3.25,-4.07,;4.29,-.3,;3.72,1.09,;2.23,1.23,;1.92,2.7,;3.21,3.46,;4.33,2.47,;.59,3.25,)|
OC1CCC(N)C(C)C1 |(-.29,3.17,;-.29,1.67,;-1.59,.92,;-1.59,-.58,;-.29,-1.33,;-.29,-2.83,;1.01,-.58,;2.31,-1.33,;1.01,.92,)|
S1SSS1 |(.75,-.75,;-.75,-.75,;-.75,.75,;.75,.75,)|
OC1OCC2NC(O)C3CCCC4O[Fe]567(OC8CCCC(C(O)NC1COC(O)C(NC(O)C9CCCC(O5)C9O6)COC2O)C8O7)OC43 |(-4.0,-2.3,;-4.0,-3.8,;-2.7,-4.55,;-1.41,-3.8,;-.11,-4.55,;1.19,-3.8,;1.19,-2.3,;-.11,-1.55,;2.49,-1.55,;3.79,-2.3,;5.09,-1.55,;5.09,-.05,;3.79,.7,;3.79,2.2,;1.19,3.7,;-1.41,5.2,;-2.7,4.45,;-4.0,5.2,;-5.3,4.45,;-5.3,2.95,;-4.0,2.2,;-4.0,.7,;-2.7,-.05,;-5.3,-.04,;-5.3,-4.55,;-5.3,-6.05,;-4.0,-6.8,;-4.0,-8.3,;-5.3,-9.05,;-2.7,-9.05,;6.39,-9.05,;6.39,6.7,;7.69,7.45,;5.09,7.45,;5.09,8.95,;3.79,9.7,;2.49,8.95,;2.49,7.45,;1.19,6.7,;3.79,6.7,;3.79,5.2,;-1.41,-8.3,;-1.41,-6.8,;-.11,-6.05,;1.19,-6.8,;-2.7,2.95,;-1.41,2.2,;1.19,.7,;2.49,-.05,)|
O1C2CCCC3CC4NCCC5(C1C6CCC45CC6)C23 |(-2.96,.72,;-1.9,1.78,;-1.9,3.28,;-.6,4.03,;.7,3.28,;.7,1.78,;2.0,1.03,;2.0,-.47,;3.3,-1.22,;3.3,.28,;.7,.28,;-.6,-.47,;-1.9,-1.22,;-1.9,-2.72,;-1.15,-1.42,;-.05,-2.52,;.7,-1.22,;.7,-2.72,;-.6,-3.47,;-.6,1.03,)|
IC1CC(C)CCC1O |(-2.31,1.33,;-1.01,.58,;.29,1.33,;1.59,.58,;2.89,1.33,;1.59,-.92,;.29,-1.67,;-1.01,-.92,;-2.31,-1.67,)|
OC1CCCC2CC3CCCC(O)C3C(O)C12 |(2.6,2.47,;2.6,.97,;3.9,.22,;3.9,-1.28,;2.6,-2.03,;1.3,-1.28,;.0,-2.03,;-1.3,-1.28,;-2.6,-2.03,;-3.9,-1.28,;-3.9,.22,;-2.6,.97,;-2.6,2.47,;-1.3,.22,;.0,.97,;.0,2.47,;1.3,.22,)|
ClC1CC(C)CCC1O |(-2.32,1.35,;-1.03,.59,;.26,1.35,;1.63,.59,;2.92,1.35,;1.63,-.93,;.26,-1.69,;-1.03,-.93,;-2.32,-1.69,)|
O1[Rh]2OCO[Rh]2OC1 |(-.66,1.55,;-.66,-.56,;-1.96,-1.31,;-1.29,-1.74,;.47,-1.31,;1.77,-.56,;1.77,1.55,;.56,2.37,)|
OC1NC2CCCCC2CC1 |(3.54,1.35,;2.25,.6,;.95,1.37,;-.36,.62,;-1.65,1.37,;-2.95,.62,;-2.95,-.89,;-1.65,-1.63,;-.36,-.89,;.94,-1.63,;2.24,-.89,)|
O1OC2CCC1C2 |(-1.32,-.82,;-1.32,.82,;.13,1.21,;1.56,.75,;1.56,-.75,;.13,-1.21,;-.75,-.0,)|
*C1OC(C)C(O)C1O |(2.64,1.16,;1.21,.7,;.0,1.58,;-1.21,.7,;-2.64,1.17,;-.75,-.72,;-1.63,-1.94,;.75,-.72,;1.63,-1.94,)|
O1CC1C |(-.75,-1.02,;.75,-1.02,;.0,.28,;.0,1.77,)|
S1CCCC1 |(-.0,-1.28,;-1.21,-.39,;-.75,1.03,;.75,1.03,;1.21,-.39,)|
O1CC2CCCC2C3CCC4OC5OC6OC6C5C4C13 |(.4,1.69,;1.7,2.44,;3.0,1.69,;4.42,2.15,;5.31,.94,;4.42,-.28,;3.0,.19,;1.7,-.56,;1.7,-2.06,;.4,-2.81,;-.9,-2.06,;-2.33,-2.53,;-3.21,-1.31,;-4.63,-.85,;-4.63,.65,;-4.32,2.12,;-3.21,1.11,;-2.33,-.1,;-.9,-.56,;.4,.19,)|
CC1CCC2C(CCC3C(C)(C)CCCC23C)C1 |(4.47,3.08,;3.17,2.33,;1.88,3.08,;.58,2.33,;.58,.83,;1.88,.08,;1.88,-1.42,;.58,-2.17,;-.72,-1.42,;-2.02,-2.17,;-2.02,-3.67,;-3.32,-2.92,;-3.32,-1.42,;-3.32,.08,;-2.02,.83,;-.72,.08,;-.72,1.58,;3.17,.83,)|
OC1OC(C)(C)CC1 |(-2.79,.41,;-1.36,-.06,;-.15,.82,;1.06,-.06,;2.49,.41,;1.06,1.44,;.6,-1.48,;-.9,-1.48,)|
[Pb]123[Pb]45[Pb]67[Pb]18[Pb]29%10[Pb]%11%12[Pb]349[Pb]56%11[Pb]87%12%10 |(1.5,.0,;.0,1.5,;-1.5,.0,;.0,-1.5,;1.06,-1.06,;.0,.0,;1.06,1.06,;-1.06,1.06,;-1.06,-1.06,)|
N12CN(CCC1)CCC2 |(.67,1.83,;.67,-.16,;-.83,-1.79,;.67,-1.79,;1.73,-.73,;1.73,.77,;-1.89,-.73,;-1.89,.77,;-.83,1.83,)|
O1COCOC1 |(-1.3,.75,;.0,1.5,;1.3,.75,;1.3,-.75,;.0,-1.5,;-1.3,-.75,)|
CC1C2CCCCC2CCC3CCCCC31 |(.0,-2.64,;.0,-1.14,;1.35,-.49,;2.45,-1.51,;3.88,-1.06,;4.22,.4,;3.12,1.42,;1.69,.98,;.75,2.15,;-.75,2.15,;-1.69,.98,;-3.12,1.42,;-4.22,.4,;-3.88,-1.06,;-2.45,-1.51,;-1.35,-.49,)|
N1C2CCCCC2C3CC4N5CC(C)C(CC5C13)C4C |(-1.41,-1.92,;-2.77,-1.31,;-4.14,-1.92,;-5.36,-1.04,;-5.2,.45,;-3.83,1.06,;-2.62,.18,;-1.15,.49,;-.4,1.79,;1.1,1.79,;1.85,.49,;3.35,.49,;4.1,-.81,;5.6,-.81,;3.35,-2.11,;1.85,-2.11,;1.1,-.81,;-.4,-.81,;1.85,3.09,;3.15,3.84,)|
OC1NC(N)NC2NCCNC12 |(.87,-2.88,;.87,-1.38,;2.17,-.62,;2.17,.88,;3.46,1.62,;.87,1.62,;-.43,.88,;-1.73,1.62,;-3.03,.88,;-3.03,-.62,;-1.73,-1.38,;-.43,-.62,)|
N1NC2NCNCC2C1 |(2.6,.0,;1.72,-1.21,;.29,-.75,;-1.01,-1.5,;-2.31,-.75,;-2.31,.75,;-1.01,1.5,;.29,.75,;1.72,1.21,)|
N1CCNCCC2CNC3C2CCCC3C4CCCC(CCC1)C4 |(3.4,-1.15,;5.08,-.33,;5.08,1.89,;3.51,2.82,;2.74,4.29,;1.18,4.28,;.37,2.93,;1.29,1.74,;.44,.5,;-1.0,.92,;-1.05,2.42,;-2.36,3.12,;-3.64,2.34,;-3.59,.84,;-2.27,.13,;-2.22,-1.35,;-3.5,-2.14,;-3.45,-3.64,;-2.13,-4.35,;-.86,-3.55,;.46,-4.25,;1.73,-3.46,;1.69,-1.96,;-.91,-2.05,)|
OC1CCC2(C)C(C1)C(C)CC3C4CCC(O)(C)C4(C)CC(O)C32 |(-5.64,-2.88,;-4.34,-2.13,;-4.34,-.63,;-3.04,.12,;-1.74,-.63,;-1.74,.87,;-1.74,-2.13,;-3.04,-2.88,;-.44,-2.88,;-.44,-4.38,;.86,-2.13,;.86,-.63,;2.16,.12,;3.58,-.35,;4.46,.87,;3.58,2.08,;4.88,2.83,;3.58,3.58,;2.16,1.62,;2.16,3.12,;.86,2.37,;-.44,1.62,;-1.74,2.37,;-.44,.12,)|
OC1NC(N)CCN1C |(2.33,-1.3,;1.01,-.58,;1.01,.92,;-.31,1.67,;-.31,3.17,;-1.6,.92,;-1.6,-.61,;-.28,-1.33,;-.25,-2.83,)|
N1C2CCCCC2C34C5CN6CCCC7(CCC13C(C5)C7)C64 |(-1.08,-2.45,;-2.25,-1.53,;-3.72,-1.81,;-4.69,-.66,;-4.19,.74,;-2.73,1.01,;-1.75,-.14,;-.22,-.14,;-1.44,.77,;-1.02,2.2,;.47,2.23,;1.49,3.32,;2.95,2.99,;3.38,1.55,;2.35,.44,;3.82,-1.26,;1.76,-3.22,;.17,-1.61,;1.61,-2.04,;1.47,-.18,;2.69,-1.02,;.93,.82,)|
O1CCC2CCCCCCC3OC3C12 |(1.0,-2.39,;2.49,-2.55,;3.1,-1.18,;1.99,-.17,;1.99,1.69,;.72,2.49,;-.58,1.74,;-1.88,2.49,;-3.18,1.74,;-3.21,-.17,;-1.91,-.92,;-.61,-1.67,;-.61,-.17,;.69,-.92,)|
OC1CCCC(S)C1O |(2.02,-1.83,;.72,-1.08,;-.58,-1.83,;-1.88,-1.08,;-1.88,.42,;-.58,1.17,;-.58,2.67,;.72,.42,;2.02,1.17,)|
OC1OCC23CCCC1(C)C3C(C)C45CC(C)C(O)(CCC24)C5 |(-6.42,-1.04,;-5.17,-.39,;-3.19,2.94,;-1.15,2.49,;-1.11,1.41,;-2.39,2.16,;-3.69,1.41,;-3.69,-.07,;-2.39,-.82,;-2.4,-2.12,;-1.11,-.07,;.19,-.82,;.19,-2.61,;1.47,-.07,;1.77,-1.57,;3.77,-1.57,;4.88,-2.67,;4.07,-.07,;5.3,-.62,;4.07,1.41,;2.77,2.16,;1.47,1.41,;2.77,-.82,)|
OC1C(O)C(OC1N)C |(1.63,-1.94,;.75,-.72,;-.75,-.72,;-1.63,-1.94,;-1.21,.7,;.0,1.58,;1.21,.7,;2.64,1.17,;-2.64,1.17,)|
ClC1CCC(O)C(Cl)C1 |(-2.89,-1.33,;-1.59,-.58,;-1.59,.92,;-.29,1.67,;1.01,.92,;2.31,1.67,;1.01,-.58,;2.31,-1.33,;-.29,-1.33,)|
CC12CCCC2C3CCC4CCCCC4C3CC1 |(2.1,3.25,;2.1,1.75,;3.52,2.21,;4.4,1.0,;3.52,-.21,;2.1,.25,;.8,-.5,;.8,-2.0,;-.5,-2.75,;-1.8,-2.0,;-3.1,-2.75,;-4.4,-2.0,;-4.4,-.5,;-3.1,.25,;-1.8,-.5,;-.5,.25,;-.5,1.75,;.8,2.5,)|
O1[Mo]O[Mo]O[Mo]1 |(-1.3,.75,;.0,1.5,;1.3,.75,;1.3,-.75,;.0,-1.5,;-1.3,-.75,)|
O1CCCC2C1CCC3C4CCCCC4CCC23 |(3.25,2.62,;4.55,1.88,;4.55,.38,;3.25,-.38,;1.95,.38,;1.95,1.88,;.65,2.62,;-.65,1.88,;-.65,.38,;-1.95,-.38,;-3.25,.38,;-4.55,-.38,;-4.55,-1.88,;-3.25,-2.62,;-1.95,-1.88,;-.65,-2.62,;.65,-1.88,;.65,-.38,)|
S1CCNC(C)C1 |(-.37,1.71,;-1.67,.96,;-1.67,-.54,;-.37,-1.29,;.93,-.54,;2.23,-1.29,;.93,.96,)|
O1CCC2CC3N(CC2C1)CC4CC5CCCCC5NC34 |(5.79,-2.1,;4.91,-3.31,;3.42,-3.15,;2.81,-1.78,;1.32,-1.62,;.71,-.26,;1.59,.96,;3.08,.8,;3.69,-.57,;5.18,-.73,;.71,2.17,;-.72,1.71,;-2.02,2.46,;-3.32,1.71,;-4.62,2.46,;-5.92,1.71,;-5.92,.21,;-4.62,-.54,;-3.32,.21,;-2.02,-.54,;-.72,.21,)|
OC1NC(O)C2NC(O)NC2N1 |(-3.56,-1.62,;-2.26,-.88,;-2.26,.62,;-.96,1.38,;-.96,2.88,;.34,.62,;1.76,1.09,;2.64,-.12,;4.14,-.12,;1.76,-1.34,;.34,-.88,;-.96,-1.62,)|
ClC1CCC2C(N)CCNC2C1 |(-3.68,-1.62,;-2.38,-.88,;-2.38,.62,;-1.08,1.38,;.22,.62,;1.52,1.38,;1.52,2.88,;2.81,.62,;2.81,-.88,;1.52,-1.62,;.22,-.88,;-1.08,-1.62,)|
OC1CC2CCC1(OC2(C)C)C |(-2.69,1.36,;-1.4,.61,;-1.4,-.89,;-.1,-1.64,;-.64,-.69,;-.64,.4,;-.1,1.36,;1.2,.61,;1.2,-.89,;2.7,-.89,;1.95,-2.19,;-.1,2.86,)|
O1C2CCCCC2CC3CCCCC13 |(.0,-1.5,;1.3,-.75,;2.6,-1.5,;3.9,-.75,;3.9,.75,;2.6,1.5,;1.3,.75,;.0,1.5,;-1.3,.75,;-2.6,1.5,;-3.9,.75,;-3.9,-.75,;-2.6,-1.5,;-1.3,-.75,)|
[Fe]12S3[Fe]4S1[Fe]5S2[Fe]3S45 |(-.37,1.07,;-1.13,.42,;.37,.42,;1.13,1.07,;1.13,-.42,;-.37,-.42,;-1.13,-1.07,;.37,-1.07,)|
S1NNCC1 |(-1.21,.39,;.0,1.28,;1.21,.39,;.75,-1.03,;-.75,-1.03,)|
CC1CCC2C(C)CCC(C)C2C1 |(-3.8,-1.39,;-2.5,-.64,;-2.5,.86,;-1.2,1.61,;.1,.86,;1.4,1.61,;1.4,3.12,;2.7,.86,;2.7,-.64,;1.4,-1.39,;1.4,-2.88,;.1,-.64,;-1.2,-1.39,)|
OC1OC23CCC(O)C1(C)C3C(C)C45CC(C)C(O)(CCC24)C5 |(-1.98,.56,;-3.03,.47,;-1.34,2.89,;-1.34,1.42,;-2.62,2.17,;-3.92,1.42,;-3.92,-.06,;-5.25,-.75,;-2.62,-.81,;-2.62,-2.08,;-1.34,-.06,;-.04,-.81,;-.04,-2.34,;1.24,-.06,;1.54,-1.56,;3.54,-1.56,;4.44,-2.66,;3.84,-.06,;5.29,-.32,;3.84,1.42,;2.54,2.17,;1.24,1.42,;2.54,-.81,)|
OC1CC2CCC(OC2C(C)C1C)(C)C |(-3.81,-1.8,;-2.51,-1.05,;-1.21,-1.8,;.09,-1.05,;1.39,-1.8,;2.69,-1.05,;2.69,.45,;1.39,1.2,;.09,.45,;-1.21,1.2,;-1.21,2.7,;-2.51,.45,;-3.81,1.2,;3.98,1.2,;3.98,-.3,)|
C1CCC2C(C1)C3CCCCC3C4CCCCC24 |(-2.6,3.0,;-1.3,3.75,;-.0,3.0,;-.0,1.5,;-1.3,.75,;-2.6,1.5,;-1.3,-.75,;-2.6,-1.5,;-2.6,-3.0,;-1.3,-3.75,;-.0,-3.0,;-.0,-1.5,;1.3,-.75,;2.6,-1.5,;3.9,-.75,;3.9,.75,;2.6,1.5,;1.3,.75,)|
NC1(C)CC1 |(1.3,-.75,;.0,.0,;1.3,.75,;-1.3,.75,;-1.3,-.75,)|
OC12CCCCC2(C)CCCC1C |(.1,-2.02,;.1,-.52,;1.4,-1.27,;2.7,-.52,;2.7,.98,;1.4,1.73,;.1,.98,;.1,2.48,;-1.2,1.73,;-2.5,.98,;-2.5,-.52,;-1.2,-1.27,;-1.2,-2.77,)|
N1CCC2C3N(CCCC13)C4CCCCC42 |(3.31,-.48,;3.31,1.04,;2.0,1.78,;.68,.98,;.71,-.48,;-.56,-1.05,;-.59,-2.72,;.7,-3.47,;2.01,-2.73,;2.0,-1.23,;-1.54,.08,;-3.04,.11,;-3.76,1.42,;-2.98,2.71,;-1.48,2.67,;-.76,1.36,)|
BrC1CCC(S)CC1 |(-2.6,1.5,;-1.3,.75,;-1.3,-.75,;.0,-1.5,;1.3,-.75,;2.6,-1.5,;1.3,.75,;.0,1.5,)|
N1CN(C)C(C)C1 |(.6,-1.8,;1.49,-.59,;.6,.62,;1.07,2.05,;-.82,.16,;-2.12,.91,;-.82,-1.34,)|
OC1CCCC(C)C1 |(-.33,2.81,;-.33,1.31,;-1.62,.56,;-1.62,-.94,;-.33,-1.69,;.97,-.94,;2.27,-1.69,;.97,.56,)|
[Se]1CCCC1 |(-.0,1.28,;-1.21,.39,;-.75,-1.03,;.75,-1.03,;1.21,.39,)|
FC1C(F)C(F)C(C)C(F)C1F |(-2.6,-1.5,;-1.3,-.75,;-1.3,.75,;-2.6,1.5,;-.0,1.5,;-.0,3.0,;1.3,.75,;2.6,1.5,;1.3,-.75,;2.6,-1.5,;.0,-1.5,;.0,-3.0,)|
O1CCOCC1 |(-.0,-1.5,;1.3,-.75,;1.3,.75,;-.0,1.5,;-1.3,.75,;-1.3,-.75,)|
N12CCCCC1CCCC2 |(-.0,-.75,;1.3,-1.5,;2.6,-.75,;2.6,.75,;1.3,1.5,;-.0,.75,;-1.3,1.5,;-2.6,.75,;-2.6,-.75,;-1.3,-1.5,)|
OC1OC2C(O)C3OCCC3C(O)C2CC1 |(4.59,-1.4,;3.31,-.67,;2.03,-1.4,;.73,-.67,;-.56,-1.42,;-.55,-2.74,;-1.86,-.67,;-3.28,-1.15,;-4.17,.06,;-3.3,1.28,;-1.87,.83,;-.57,1.58,;-.57,3.14,;.73,.83,;2.03,1.58,;3.31,.83,)|
OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C)C(C)CCC5(C)CCC43C)C1(C)C |(-6.5,-3.22,;-5.2,-2.47,;-5.2,-.97,;-3.9,-.22,;-2.6,-.97,;-2.6,.53,;-2.6,-2.47,;-1.3,-3.22,;-.0,-2.47,;-.0,-.97,;-.0,.53,;-1.3,-.22,;-1.3,1.28,;-.0,2.03,;1.3,1.28,;2.6,2.03,;2.6,3.53,;1.3,4.28,;3.9,4.28,;3.9,5.78,;5.2,3.53,;5.2,2.03,;3.9,1.28,;5.2,.53,;3.9,-.22,;2.6,-.97,;1.3,-.22,;1.3,-1.72,;-3.9,-3.22,;-4.29,-4.67,;-3.51,-4.67,)|
N1C2CCC1CC3NC(CC3)C4CCC5CC(NC54)CC6NC(CC6)C2 |(-1.64,1.96,;-1.41,3.43,;-2.73,4.12,;-3.79,3.05,;-3.11,1.69,;-3.87,.4,;-3.11,-.89,;-1.64,-1.15,;-1.41,-2.63,;-2.73,-3.31,;-3.79,-2.25,;-.12,-3.38,;.27,-4.83,;2.14,-4.83,;2.53,-3.31,;3.63,-2.25,;2.91,-.89,;1.43,-1.15,;1.21,-2.63,;3.67,.4,;2.91,1.69,;1.43,1.96,;1.21,3.43,;2.53,4.12,;3.63,3.05,;-.12,4.19,)|
C1CC2CCCC3CCC(C1)C23 |(-2.6,-1.25,;-1.3,-2.0,;.0,-1.25,;1.3,-2.0,;2.6,-1.25,;2.6,.25,;1.3,1.0,;1.3,2.5,;-1.3,2.5,;-1.3,1.0,;-2.6,.25,;.0,.25,)|
OC1CCC(C)CC1N |(-.3,2.86,;-.3,1.36,;-1.59,.57,;-1.59,-.93,;-.3,-1.68,;-.3,-3.18,;1.03,-.93,;1.03,.57,;2.32,1.36,)|
O1CCOCCOCCOCCOCC1 |(.05,-2.13,;1.35,-2.94,;2.51,-1.99,;1.97,-.59,;3.15,.31,;2.65,1.74,;1.17,1.74,;.7,3.17,;-.78,3.17,;-1.28,1.7,;-2.77,1.62,;-3.19,.17,;-1.98,-.72,;-2.39,-2.2,;-1.15,-3.04,)|
OC1N(C)C(O)C2CCCCC12 |(1.41,2.66,;1.03,1.21,;1.91,.0,;3.41,.0,;1.03,-1.21,;1.41,-2.66,;-.4,-.75,;-1.7,-1.5,;-3.0,-.75,;-3.0,.75,;-1.7,1.5,;-.4,.75,)|
O1OBOOB1 |(1.3,-.75,;1.3,.75,;.0,1.5,;-1.3,.75,;-1.3,-.75,;.0,-1.5,)|
OC1CCC(C)(C)CC1 |(.0,-3.17,;.0,-1.67,;1.3,-.92,;1.3,.58,;.0,1.33,;1.3,2.08,;-1.33,2.1,;-1.29,.58,;-1.29,-.92,)|
OC1NC(O)NC(N1)C |(-2.59,-1.49,;-1.3,-.75,;-.0,-1.51,;1.3,-.75,;2.59,-1.49,;1.3,.76,;-.0,1.5,;-1.3,.76,;-.01,2.99,)|
ClC1CC(Cl)C(Cl)CC1Cl |(2.6,1.5,;1.3,.75,;.0,1.5,;-1.3,.75,;-2.6,1.5,;-1.3,-.75,;-2.6,-1.5,;.0,-1.5,;1.3,-.75,;2.6,-1.5,)|