THIS FILE IS IN COMMA-SEPARATED-VALUE FORMAT
Molecular Interactions in Crystal Structures with Z’ > 1,,,
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"Robin Taylor, Jason C. Cole and Colin R. Groom, Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK",,,
,,,
SUPPORTING INFORMATION,,,
,,,
All motifs in centrosymmetric structures whose %Z'>1 is statistically significant at the 99% confidence level,,,
"Format differs slightly from main paper: opening and trailing curly arrows in motif strings are replaced by ""…""; triple bonds are represented by ""#""",,,
OHO = O-H...O H-bond; CHpi = CH…pi interaction (all types); e-to-f = CH...pi interaction (edge-to-face aromatic),,,
,,,
motif,nstructures,%Z'>1,class
...C~C-Csp3-O-H...O-Csp3-C~C-H...,61,54,OHO
...H-Csp3-Csp3-O-H...O-Csp3-Csp3-H...,165,52,OHO
(H)(Si)O...H(O),73,51,OHO
...H-Csp3-Csp3-Csp3-O...H-O-Csp3-Csp3-H...,107,48,OHO
...C~C~C~C~C~C~C...H-C~C~C~C~C-H...,63,48,CHpi + e-to-f
...H-Csp3-Csp3-Csp3-O-H...O-Csp3-Csp3-H...,97,45,OHO
...H-Csp3-Csp3-Csp3-O-H...O-Csp3-Csp3-Csp3-H...,109,44,OHO
...Csp2-N...H-N-C~C-H...,98,44,
...C~N-M-N~N~C...H-C~C-H...,70,43,CHpi
...Csp2-C~C~C...H-C~C-C~C...,100,42,CHpi
...C~C-N...H-N-C~C-H...,131,42,
...C~C~C-H...C~C~N-M-N~C-H...,67,42,CHpi
...Csp2-C~C~C...H-C~C-Csp2-H...,53,42,CHpi + e-to-f
...C~C-Csp3-O...H-O-Csp3-H...,53,42,OHO
...C~C-C~C~C-C~C-H...C~C-C~C~C...,53,42,CHpi
...C~C-O...H-O-C~C-H...,51,41,OHO
...Csp2-H...C~N~N-M-N~C-H...,61,41,CHpi
...C~C~N-B-N...H-C~C-H...,77,40,CHpi
...Csp-M...M...,50,40,
...C~C~C-C~C~C~C...H-C~C-C~C~C-H...,53,40,CHpi + e-to-f
...Csp2-C~C~C~C...H-C~C-C~C-H...,90,39,CHpi + e-to-f
...Csp2-N-Si-Csp3-H...H-Csp3-H...,54,39,CHpi
...C~N-B-N~N~C...H-C~C-H...,88,39,CHpi
...H-N-Csp2-C=N...H-N-Csp2-C=N...,83,39,
...C~C-H...C~C~C~C-Csp3-Csp3-C~C-H...,73,38,CHpi
...H-Csp3-Csp3-Csp3-O...H-O-Csp3-H...,68,38,OHO
...C~C-N-Csp3-H...H-Csp3-N-C~C-H...,71,38,CHpi
...Csp2-N...H-Csp3-N-C~C-H...,53,38,CHpi
...C~C~C-N-C~C~C-H...C~C~C~C-H...,61,38,CHpi
...H-Csp3-Csp3-O...H-O-Csp3-Csp3-O...,61,38,OHO
...C~N-B-N...H-C~C-H...,69,38,CHpi
(Csp2)(N~)(N~)C...C(Csp2)(~N)(~N),56,38,
...Csp2-H...M-Csp2-N-C~C~C...,59,37,
...H-Csp3-Csp3-O-H...O-H...,51,37,OHO
...C~C~C~C...H-C~C~C~C~C-H...,196,37,CHpi + e-to-f
...C~C~N-B-N~C...H-C~C-H...,97,37,CHpi
...C~C-C~C~C~C...H-C~C-C~C~C-H...,135,37,CHpi + e-to-f
...C~C-P-M...H-C~C~C-P-C~C-H...,54,37,
...C~C~C-N...H-Csp3-N-C~C-H...,54,37,CHpi
...Csp2-C~C...H-C~C-C~C~C...,90,37,CHpi
...C~C-Csp2-N-H...N...,60,37,
...C~C-I...H-C~C-H...,55,36,CHpi
(Csp3)(H)O...O(Csp3)(H),182,36,OHO
(Csp2)(H)O...Br(Csp2),53,36,
...C~C~C~C~C~C...H-C~C~C~C~C-H...,173,36,CHpi + e-to-f
...C=C...H-C=C-Csp2-H...,67,36,CHpi
...Csp2-C~C...H-C~C-Csp2-H...,84,36,CHpi + e-to-f
...C~C~C-H...C~C~C-N-C~C~C...,70,36,
...Csp2-Csp2...H-C~C-C~C-H...,135,36,CHpi
...C~C~C-C=O...H-N-Csp2-C~C~C-H...,65,35,
...Csp2-H...N~N-M-N~C-H...,51,35,
...Csp3-Csp3-O...O...,51,35,
...C~C~C-N-Csp3-H...N-C~C~C...,51,35,
...C=C...H-C=C-C~C-H...,54,35,
...H-C~C-C=N...H-N...,94,35,
...C~C-C~C~C...H-C~C-C~C-H...,100,35,CHpi + e-to-f
...C~C-C~C~C~C...H-C~C~C-C~C-H...,112,35,CHpi + e-to-f
...C=C-C~C~C...H-C~C-C=C-C~C-H...,69,35,CHpi + e-to-f
...H-C~C-N-H...N~C-H...,69,35,
...C~C~C-C~C~C~C...H-C~C~C-C~C-H...,78,35,CHpi + e-to-f
...C~C~C-H...C~C~C-N-C~C-H...,104,35,
...Csp3-N-C~C-H...C~C~C-N-Csp3-H...,55,35,
...C~C~C~C-C~C-H...C~C~C~C-H...,58,34,
...C~C~C~C~C~C-H...C~C~C~C~C~C~C...,58,34,
...C~C-N-C~C~C...H-C~C-N-C~C~C-H...,93,34,CHpi
...Csp2-N-C~C~C...C~C-N-C~C~C...,85,34,
...Csp2-C~C~C~C...H-C~C~C-C~C-H...,132,34,CHpi + e-to-f
...C~C~C~C-H...C~C~C~C...,103,34,
...Csp3-Csp3-N-H...H...,59,34,
(C=)S...N(Csp2)(H)(H),62,34,
...C~C~C~C~C~C-H...C~C~C~C~C~C...,65,34,
...C~C-Csp2-N-C~C-H...C~C-H...,75,33,
...C~C-Csp3-Csp3-Csp3-H...C~C-Csp3-Csp3-H...,60,33,
...C~C...H-C~C-N-C=O...,84,33,
...C~C~C-N...H-Csp3-C~C-H...,75,33,CHpi
...H-Csp3-Csp3-O...H-O-Csp3-H...,102,33,OHO
...H-C~C~C-H...O#C-M-C#O...,60,33,
...C~C~C~C-H...C~C~C~C~C...,130,33,
...Csp3-C~C...H-Csp3-Csp3-C~C...,88,33,
...Csp2-H...C~C~C~C-Csp3-Csp3-C~C-H...,85,33,
...C=N-C~C...H-Csp2...,82,33,
...C#O...H-Csp3-S-M-C#O...,76,33,
...C=C-Csp2...Csp2-N-C~C...,76,33,
(Csp3)(H)(H)(H)C...O(Csp3)(H),116,33,
(Csp2)(Csp2)(H)N...H(N),135,33,
...Csp2-C~C~C~C...H-C~C-C~C~C-H...,175,33,CHpi + e-to-f
...Csp3-C~C...H-C~C-C~C-H...,80,33,
...C~N-B-N~C...H-C~C-H...,77,32,CHpi
...Csp2-M-C~C-H...C~C-M-C~C-H...,71,32,
...C~C-M-C~C-H...C~C-M-C~C~C-H...,90,32,
...C~C~C~C-C=N...H-C~C-H...,84,32,CHpi
...Csp3-Csp3-H...C~C-C~C...,75,32,
...Csp3-N-Csp3-C~C~C...H-C~C~C...,75,32,
(C#)(H)C...H(Csp),122,32,
...Csp2-C~C~C...H-C~C-C~C~C...,122,32,
...C~C-N...H-Csp3-N-C~C-H...,94,32,CHpi
...C~C~N-M-N~C...H-C~C~N-M-N~C-H...,69,32,CHpi
...H-C~C-N-H...O=S...,69,32,
...Csp2-C~C...H-C~C-C~C...,110,32,
...C~C~C~C~C-H...C~C~C~C~C~C...,110,32,
...Csp2-N-Csp3-Csp3-H...Csp2-N-Csp3-H...,76,32,
...Csp2-C~C~C...H-C~C-C~C-H...,301,32,CHpi + e-to-f
...C~C~C-H...C~C~C-N-Csp3-H...,73,32,
...Csp3-Csp3-C~C-N-M-N-C~C-Csp3-Csp3-H...Csp3-H...,108,31,
...C~C~C~C~C...H-C~C~C~C~C-H...,245,31,CHpi + e-to-f
(Csp3)H...O(H)(Si),83,31,
(C=)(Csp2)N...C(=N)(H)(N),90,31,
...C~C-Csp2-N-H...O=C-C~C-H...,116,31,
...C~C-Csp3-C~C~C...H-C~C~C...,100,31,
...C~N-M-N~N...H-C~C-H...,100,31,CHpi
...Csp2-C~C~C...H-C~C-C~C~C-H…,142,31,CHpi + e-to-f
...C=C-Csp2...H-C=C-Csp2-H...,126,31,CHpi
...C~C-N...H-C~C-N-Csp3-H...,97,31,CHpi
...C~C~C-H...C~C~C~C~C...,194,31,
...H-Csp3-Csp3-O...H-O...,210,30,OHO
...Csp-M-C#O...O#C-M-M-Csp...,92,30,
...C~C~C~C~C-H...C~C~C~C~C...,112,30,
...C~C-N-C~C-H...C~C-N-C~C~C-H...,89,30,
...Csp3-Csp3-Csp3-O...H-Csp3-Csp3-H...,129,30,
...H-Csp3-Csp3-Csp3-O...H-O...,139,30,OHO
...C~C~C...H-C~C~C~C-H...,126,30,CHpi + e-to-f
...C~C-C~C...H-C~C-C~C-H...,176,30,CHpi + e-to-f
...C~C-Csp3-F...F-Csp3-F...,90,30,
(C=)S...N(Csp2)(Csp2)(H),161,30,
...C~C-Csp3-F...H-C~C...,94,30,
...C~C-C=C-C~C...H-C~C-H...,111,30,CHpi + e-to-f
...Csp3-F...H-Csp3...,98,30,
...Csp3-Csp3-P-M-P-Csp3-Csp3-H...H-Csp3-P-Csp3-Csp3-H...,88,30,
...C~C~C~C...H-Csp3-C~C~C~C-H...,95,29,CHpi
...H-N...S...,136,29,
...C~C-I...C~C~C...,116,29,
...H-C~C-N-H...O=N=O...,106,29,
(Csp)H...C(H)(~C)(~C),154,29,
...Csp2-C~C~C...H-C~C~C-C~C-H...,103,29,CHpi + e-to-f
...Csp2-C~C...H-C~C-C~C-H...,395,29,CHpi + e-to-f
...C~C...H-C~C~C~C-H...,158,29,CHpi
...C~C-C~C~C...H-C~C-C~C~C-H...,371,29,CHpi + e-to-f
...C~C-C~C-H...C~C~C-C~C...,110,29,
...C~C~C-Si...H-C~C-H...,148,29,
(Csp3)(H)O...H(O),2181,29,OHO
...C~C~C~C-O...H-C~C~C-O-Csp3-H...,104,29,
...C~C-N-C~C-H...C~C...,219,29,
...Csp3-Csp3-C~C...H-C~C-Csp3-Csp3-H...,101,29,
...C~C-P-C~C-H...C~C~C~C-P-C~C...,101,29,
...C~C...H-C~C-M...,101,29,
...C~C-M-C~C-H...C~C~C-H...,115,29,
(C=)(H)(N)C...H(N),119,29,
...Csp3-C~C~C...Csp3-C~C~C~C...,130,28,
...C~C-N-C~C-H...C~C~C-N-C~C-H...,148,28,
...H-C~C-M...H...,187,28,
...C~C-N...N-C~C...,145,28,
...C~C~C-H...C~C~C-N-C~C~C-H...,131,28,
...C~C-N-C~C...C~C~C...,125,28,
...C~C-Csp3-H...S...,179,28,
(C~)(C~)N...N(~C)(~C),111,28,
(Csp2)(Csp2)S...C(=N)(N)(S),147,28,
...C~C-C=C-C~C...C~C-H...,140,28,
...Csp2-Csp3-F...F...,159,28,
...H-C~C-Csp2-N-H...N...,225,28,
...C~C-Csp3-Csp3-H...H-Csp3-Csp3-C~C~C-H...,128,27,
...C~C~C~C...H-Csp3-N-C~C~C-H...,172,27,CHpi
...C=O...Csp3-N-Csp2...,132,27,
(Csp2)(N)(O=)C...C(Csp3)(H)(H)(H),136,27,
(C=)O...N(Csp2)(Csp3)(H),140,27,
...Csp3-Csp3-Csp3-H...H-Csp3-Csp3-Si-Csp3-Csp3-H...,129,27,
...Csp-C~C...C~C-H...,166,27,
...Csp2-Csp3...Csp3-Csp2...,137,27,
...C~C~C...H-C~C-C~C~C-H...,193,27,CHpi + e-to-f
(Csp2)(H)(H)N...H(N),695,27,
...Csp2-N-C~C-H...C~C-N-C~C-H...,134,27,
...Csp2-H...N-H...,277,27,
...C~C~C-C~C~C...H-C~C-C~C~C-H...,296,27,CHpi + e-to-f
...Csp2-Csp3-O-H...O...,243,26,OHO
...C=C...H-C=C-H...,247,26,CHpi
...C=C-Csp2...H-C=C-H...,206,26,CHpi
...Csp3-Csp3-H...H-Csp3-C~C~C...,149,26,
...C~C~C-H...C~C~C~C-C~C-H...,149,26,
...C~C~C-H...C~C~C~C...,375,26,
...C~N...N~C...,165,26,
...C~C-H...C~C~C-N-C~C...,150,26,
...Csp-M-M-C#O...Csp3-H...,158,26,
...Csp3-C~C-Csp3...C~C~C-Csp3-H...,160,26,
...Csp2-Csp3...H-Csp3-C~C...,203,26,
...C=N-C~C...H-C~C-H...,188,26,CHpi
...C~C-C~C~C...H-C~C~C-C~C-H...,318,25,CHpi + e-to-f
...Br...Csp2-Csp3-H...,169,25,
...Csp3-H...M-C~C...,169,25,
(Csp3)(H)(H)(H)C...H(O),362,25,
...C~C-C~C...H-C~C-H...,934,25,CHpi + e-to-f
...C~C~C~C...H-C~C-C~C-H...,414,25,CHpi + e-to-f
...Csp3-Csp3-C~C-H...C~C~C-Csp3-Csp3-H...,217,25,
...C~C~C-H...C~C~C-M-C~C-H...,166,25,
...Csp2...H-C=C-H...,174,25,
...Csp2-Si-Csp3-H...H...,180,25,
...C~C~N-M-N...H-C~C-H...,188,25,CHpi
...Csp2-H...N-C~C...,508,25,
...Csp3-H...H-Csp3-Csp3-Csp3-O...,246,25,
...C~C-C~C~C...C~C~C-C~C-H...,226,25,
...C~C-H...C~C~C-N-Csp3-H...,210,25,
...C~C~C-Csp3-Csp3-H...H-Csp3-C~C-H...,186,25,
...C~C~C~C-Csp3-Csp3-H...H-Csp3-Csp3-C~C~C-H...,248,25,
(O)H...H(O),421,24,OHO
...C=C-N...H-Csp3-Csp3-Csp3-H...,213,24,
(Csp3)(Csp3)(H)(H)C...O(Csp3)(H),197,24,
...C~C-C~C-H...C~C-C~C...,297,24,
...C~C-Csp3-C~C-H...C~C...,233,24,
...Br-Csp2...H...,475,24,
...C~C-Csp3-C~C~C~C...H-C~C...,250,24,
...C~C~C...H-C~C-C~C-H...,1005,24,CHpi + e-to-f
...C~C-C~C-H...C~C~C~C...,405,24,
...Csp2-C~C~C~C...H-C~C-H...,1086,24,CHpi + e-to-f
...Csp2-N-C~C...H-C~C...,368,24,
...C=C-H...Csp2...,377,24,
...C~C~C~C...H-Csp3-N-C~C-H...,428,24,CHpi
...Csp2-N-C~C~C...H-C~C-H...,294,24,CHpi
...C~C-H...C~C-N-Csp3-H...,371,24,
...Csp2-C~C~C...C~C~C~C-Csp2...,401,24,
...C~C~C~C...H-C~C-C~C~C-H...,296,24,CHpi + e-to-f
...Csp2-Csp3-H...C~C-Csp3-Csp3-H...,258,24,
...Csp3-C~C~C...H-C~C-Csp3-H...,462,24,
...Csp3-Csp3-Csp3-H...H-Csp3-Csp3-Csp3...,242,24,
...Csp3-Csp3-C~C-H...C~C~C...,285,24,
...C=C-N...Csp2-Csp2...,277,23,
...M-C#O...O#C-M-C#O...,401,23,
...C~C~C~C~C...H-C~C~C-H...,312,23,CHpi + e-to-f
...C~C~C~C-N...H-C~C-H...,454,23,CHpi
...C~C~C-C~C-H...C~C~C...,555,23,
...Csp2-N-Csp3-H...Csp2-N...,246,23,
...Csp3...H-Csp3-Csp3-Csp3-Csp3-H...,246,23,
...Csp3-H...C~C-C~C...,298,23,
...C~C...H-C~C-N-H...,416,23,
...H-Csp3-Csp3-Csp3-O-H...O...,383,23,OHO
...C~C-N-Csp3-H...H...,489,23,
...C~C~C-Csp3-Csp3-H...H-Csp3-Csp3-C~C-H...,415,23,
...C~C-C~C~C...H-C~C...,268,23,
...Csp2-H...C~C-Csp3-Csp3-Csp3-H...,313,23,
...Csp2-N...N-Csp2...,666,23,
...C~C-N-C~C...H-C~C-H...,278,23,CHpi
...H-Csp3-Csp3-O-H...O...,606,23,OHO
(Csp3)(Csp3)(H)(H)C...H(O),297,23,
...C~C-N...H-Csp3-H...,522,22,
...Csp2...H-Csp3-N-C~C-H...,335,22,
(Csp3)(H)O...C(H)(~C)(~C),322,22,
...Csp3-Csp3-C~C~C...H-Csp3-Csp3-Csp3-H...,332,22,
...Csp2-H...C~C~C-Csp3-Csp3-Csp3-H...,392,22,
(Csp2)(Csp2)(N)N...H(Csp2),475,22,
...C=C-C~C~C...H-C~C-H...,399,22,CHpi + e-to-f
...H-Csp3-Si-C~C-H...H...,313,22,
...C~C~C~C...H-Csp2-C~C-H...,372,22,CHpi
...M-C#O...O#C-M-M-C#O...,622,22,
...C~C~C...H-C~C-N-H...,373,22,
...C~C-C~C...C~C~C-C~C-H...,451,22,
...C~C-C~C...C~C-H...,875,22,
...C~C~C-C~C-H...C~C~C~C...,392,22,
(Csp2)(Csp2)(H)N...N(Csp2)(Csp2)(H),370,22,
...Csp2-N-Csp3-Csp3-H...C~C~C...,334,22,
...C=C-C~C...H...,468,22,
...C~C-Csp3-Csp3-H...H-Csp3-Csp3-C~C-H...,436,22,
...Csp2...H-C~C-C~C-H...,387,22,
...H-Csp3-Csp3-Csp3-H...H-Csp3-Csp3-Csp3-O...,595,22,
...C~C-H...N-C~C...,508,22,
...Csp2-C~C~C...C~C~C-Csp2...,388,22,
...C~C-C~C-H...C~C~C...,855,22,
...C~C...H-C~C-C~C-H...,1328,22,
...H-C~C-N-H...N...,362,22,
...C~C-Csp3-C~C...H-C~C-H...,414,21,CHpi
...C~C-C~C~C...H-C~C-C~C~C...,419,21,
...Csp3-Csp3-H...H-Csp3-Csp3...,900,21,
...C~C~C-N...H-C~C-H...,1190,21,CHpi
...Csp3-Si-Csp3-H...H-C~C-H...,446,21,
...Csp3-H...O-H...,456,21,
...C~C~C-H...C~C~C...,458,21,
...C~C-C~C-H...C~C...,1148,21,
...C~C-H...O-C~C...,408,21,
...Csp3-Csp3-C~C...H-C~C-H...,489,21,
...Csp2-H...H-C=C-H...,462,21,
...Csp2-N...H-C~C...,567,21,
(C~)(C~)(N)C...H(N),453,21,
...C~C~C...H-Csp3-N-C~C-H...,916,21,CHpi
...Csp2-C=C-Csp2...C~C~C...,568,21,
...Csp2...H-N...,616,21,
...Csp3-C~C-Csp3...H...,578,21,
...Csp2...H-Csp3-O-C~C-H...,550,21,
...Csp3-Csp3-Csp3-Csp3-H...H...,684,21,
...Csp2-C~C~C...H-C~C-H...,2875,21,CHpi + e-to-f
...H-Csp3-Csp3-Csp3-H...H-Csp3-Csp3-O...,1115,21,
...C~C-C~C~C...H-C~C-H...,930,21,CHpi + e-to-f
...Csp2-N-C~C-H...C~C...,559,21,
...Csp2-Csp3-H...H-Csp2...,730,21,
...C~C...H-C~C~C-H...,1320,21,CHpi
...Csp-C~C...H-C~C-H...,470,21,CHpi + e-to-f
...Csp2-Csp2...H-Csp3-H...,756,21,
...Csp2-N-C~C...H-C~C-H...,645,21,CHpi
...Csp2-C~C...C~C-H...,1340,21,
...C~C~C~C...H-C~C~C-H...,933,21,CHpi + e-to-f
...C~C~C~C...H-Csp3-Csp3-Csp3-Csp3-H...,496,21,
(Csp2)(H)(H)N...H(Csp2),1568,21,
(Csp2)(Csp2)(O=)C...C(Csp2)(~C)(~C),526,21,
(Br)(C~)(C~)C...Br(Csp2),483,20,
...Csp3-F...F...,821,20,
...Csp2-H...C~C-C~C...,484,20,
...Csp3...H-Csp3-H...,890,20,
...C~C-Csp3-H...H-Csp3-C~C...,863,20,
...Csp2-H...Csp3-Csp3-Csp3-H...,638,20,
...C~C-C~C-H...C~C-H...,845,20,
...Csp2-Csp3...H-Csp3-H...,534,20,
...Csp2-C~C...Csp2-H...,1268,20,
(Csp2)(N)(N=)C...H(Csp2),771,20,
(C=)(Csp2)(H)C...O(=C),627,20,
...Csp2-H...C~C~C-Csp3-Csp3-H...,563,20,
...Csp3-C~C...C~C-Csp3-H...,759,20,
...Csp2-H...C~C-N...,646,20,
...C=C-C~C...H-C~C-H...,903,20,CHpi + e-to-f
...C#O...M-Csp...,979,20,
...C=C-Csp2...H-Csp2...,891,20,
...Csp3-C~C-Csp3-H...Csp3-H...,861,20,
...Csp2-C~C...C~C-Csp2...,645,20,
(Csp2)(H)(H)N...C(H)(~C)(~C),730,20,
...C~C-M...H...,649,20,
...C=C-Csp2...Csp2-H...,837,20,
...Csp3-Csp3-H...H-C~C...,651,20,
...H-Csp3-Csp3-Csp3-O...H...,1483,20,
...Csp2-C~C...H-C~C-H...,4129,20,CHpi + e-to-f
...C~C-H...C~C~C~C...,5892,20,
...Csp2...H-Csp3-Csp3-C~C-H...,855,20,
...Csp3-Csp3-Csp3-H...H-Csp3-H...,1567,20,
...C~C~C-Csp3-H...H-Csp3-C~C-H...,707,20,
...C~C~C...H-Csp2-C~C-H...,873,19,CHpi
...C~C...H-Csp3-N-C~C-H...,1143,19,
...Csp2-N...N...,1245,19,
...C~C-N...H-C~C-H...,1880,19,
(Csp2)Br...Br(Csp2),939,19,
...C~C-N...H...,2409,19,
...H-Csp3-Csp3-Csp3-Csp3-H...H-Csp3-Csp3-Csp3-H...,1349,19,
...C~C...H-Csp2-C~C-H...,1101,19,
...C~C~C...H-C~C~C-H...,1520,19,CHpi + e-to-f
...C#O...Csp-M-Csp...,1189,19,
...C~C~C...H-Csp3-Csp3-Csp3-Csp3-H...,974,19,
...Csp2-M...H...,1029,19,
...Csp2-Csp3-Csp3-H...H-C~C-H...,973,19,
...Csp3-Csp3...Csp3-H...,2638,19,
...Csp2-C~C...H-C~C...,1166,19,
...H-N...H...,1238,19,
...C#C...H...,1324,19,
...Csp2-N...H-C~C-H...,1415,19,
...C~C-O...H-C~C-H...,1706,19,
...Csp3-C~C~C...H-C~C-H...,1263,19,
(C=)(Csp2)N...H(N),1388,19,
...Csp-M-C#O...O#C-M-M-C#O...,1054,19,
...Csp2-N-Csp2...H...,2415,18,
...Csp2-C~C...Csp3-H...,1349,18,
...Csp2...H-Csp3-H...,1311,18,
(Csp2)H...H(N),2694,18,
...C=C...Csp2-H...,2275,18,
...C~C-H...H-Csp3-C~C-H...,1277,18,
...Csp2-H...C~C-Csp3-Csp3-H...,1676,18,
...C~C-H...S...,1322,18,
...Csp2-C~C...H-Csp2...,1571,18,
...Csp3-Csp3-H...Csp3...,3148,18,
...Csp2-Csp2...H-C~C-H...,2230,18,CHpi
...Csp2-H...Csp2-N...,1785,18,
...Csp3...H-Csp3-Csp3-H...,1339,18,
...Csp3-Csp3-H...H-Csp3-H...,3111,18,
(C~)(C~)N...H(N),1732,18,
...C~C-Csp3-Csp3-H...C~C-H...,1611,18,
...Csp2-Csp2...C~C-H...,1527,18,
...C~C-H...C~C~C...,12545,18,
...Csp2-H...C~C~C~C...,7957,18,
...C=C...Csp2-Csp2...,2124,18,
...Csp2-H...N-Csp2...,1603,18,
...Csp3-Csp3-Csp3-H...Csp3-H...,2702,18,
...Csp2...H-Csp3-Csp3-Csp3-H...,2438,18,
...H-Csp3-Csp3-H...H-Csp3-H...,4953,18,
...Csp2-H...H-C~C...,3228,18,
...Csp2-H...H-Csp3-H...,2649,18,
...Csp2-N...Csp3-H...,2462,18,
...Csp2-Csp2...Csp2-H...,3989,17,
...H-Csp3-H...H...,3828,17,
(Csp2)(Csp2)(H)N...H(Csp2),2368,17,
...Csp2...C~C-H...,10286,17,
...Csp2-C~C...H...,5852,17,
(Csp2)(Csp2)(H)N...H(Csp3),2715,17,
...Csp2-H...C~C~C...,16001,17,
...C~C...N...,3322,17,
...Csp3-H...H-C~C...,3101,17,
(C=)(Csp2)(H)C...C(=C)(Csp2)(H),2941,17,
...C=C...Csp2...,4696,17,
...Csp2...C~C~C...,5269,17,
...Csp3-Csp3-H...H-Csp3...,5977,17,
...C~C...H-Csp3-H...,8350,17,
...Csp3-H...C~C-H...,8180,17,
...C~C~C~C...H-C~C-H...,18974,17,CHpi + e-to-f
...Csp2...H-C~C-H...,8548,17,
...Csp3-H...H-Csp3-H...,10979,17,
...Csp2-H...H-Csp3...,8038,17,
...Csp2-Csp3-H...Csp2...,4572,17,
...Csp2-H...Csp3...,5908,17,
...Csp3-C~C...H...,6134,16,
...Csp2-N...H...,14431,16,
(Csp2)H...C(N)(~C)(~C),10948,16,
...C~C-H...C~C...,21310,16,
...Csp3-H...H-Csp3...,19236,16,
...H-C~C-H...H...,14915,16,
...Csp2-H...Csp2...,29998,16,