| 1 |
COMPND 5CB.pdb
HETATM 1 C -4.315 -3.965 -3.704
HETATM 2 C -3.215 -3.053 -3.211
HETATM 8 C -3.056 -3.136 -1.700
HETATM 9 C -1.957 -2.209 -1.209
HETATM 12 C -1.787 -2.310 0.300
HETATM 15 C -0.704 -1.395 0.775
HETATM 19 C -1.003 -0.082 1.141
HETATM 21 C 0.002 0.770 1.580
HETATM 25 C 1.323 0.320 1.651
HETATM 26 C 2.388 1.222 2.110
HETATM 27 C 1.623 -0.993 1.281
HETATM 29 C 0.615 -1.845 0.849
HETATM 32 C 2.212 1.983 3.270
HETATM 34 C 3.217 2.835 3.708
HETATM 35 C 4.406 2.932 2.979
HETATM 40 C 4.589 2.178 1.817
HETATM 41 C 5.438 3.808 3.423
HETATM 44 C 3.581 1.324 1.389
HETATM 45 N 6.279 4.520 3.785
HETATM 3 H -4.114 -5.015 -3.453
HETATM 4 H -4.425 -3.904 -4.794
HETATM 5 H -5.286 -3.705 -3.261
HETATM 6 H -3.429 -2.007 -3.510
HETATM 7 H -2.258 -3.312 -3.705
HETATM 10 H -2.834 -4.181 -1.403
HETATM 11 H -4.016 -2.884 -1.206
HETATM 13 H -2.186 -1.163 -1.493
HETATM 14 H -1.000 -2.452 -1.712
HETATM 16 H -1.555 -3.355 0.590
HETATM 17 H -2.741 -2.064 0.809
HETATM 22 H -2.037 0.278 1.082
HETATM 24 H -0.240 1.800 1.868
HETATM 30 H 2.658 -1.352 1.336
HETATM 31 H 0.855 -2.875 0.564
HETATM 36 H 1.277 1.903 3.837
HETATM 37 H 3.077 3.427 4.620
HETATM 43 H 5.521 2.257 1.246
HETATM 46 H 3.719 0.728 0.479
CONECT 1 2 3 4 5
CONECT 2 1 8 6 7
CONECT 8 2 9 10 11
CONECT 9 8 12 13 14
CONECT 12 9 15 16 17
CONECT 15 12 19 29
CONECT 19 15 21 22
CONECT 21 19 25 24
CONECT 25 21 26 27
CONECT 26 25 32 44
CONECT 27 25 29 30
CONECT 29 15 27 31
CONECT 32 26 34 36
CONECT 34 32 35 37
CONECT 35 34 40 41
CONECT 40 35 44 43
CONECT 41 35 45
CONECT 44 26 40 46
CONECT 45 41
CONECT 3 1
CONECT 4 1
CONECT 5 1
CONECT 6 2
CONECT 7 2
CONECT 10 8
CONECT 11 8
CONECT 13 9
CONECT 14 9
CONECT 16 12
CONECT 17 12
CONECT 22 19
CONECT 24 21
CONECT 30 27
CONECT 31 29
CONECT 36 32
CONECT 37 34
CONECT 43 40
CONECT 46 44
END
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