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1_cyclohexane_1_ethanol.pdb
61 lines (61 loc) · 2.9 KB
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1_cyclohexane_1_ethanol.pdb
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REMARK 1 CREATED WITH MDTraj 1.7.2, 2016-06-27
CRYST1 31.885 31.885 31.885 90.00 90.00 90.00 P 1 1
MODEL 0
ATOM 1 C1 ZBE A 1 12.532 10.813 10.386 1.00 0.00 C
ATOM 2 C2 ZBE A 1 12.348 10.339 11.825 1.00 0.00 C
ATOM 3 C3 ZBE A 1 10.880 10.365 12.244 1.00 0.00 C
ATOM 4 C4 ZBE A 1 10.256 11.739 12.020 1.00 0.00 C
ATOM 5 C5 ZBE A 1 10.439 12.213 10.581 1.00 0.00 C
ATOM 6 C6 ZBE A 1 11.907 12.187 10.162 1.00 0.00 C
ATOM 7 H1 ZBE A 1 12.072 10.088 9.703 1.00 0.00 H
ATOM 8 H2 ZBE A 1 13.600 10.849 10.143 1.00 0.00 H
ATOM 9 H3 ZBE A 1 12.745 9.324 11.932 1.00 0.00 H
ATOM 10 H4 ZBE A 1 12.930 10.982 12.497 1.00 0.00 H
ATOM 11 H5 ZBE A 1 10.324 9.614 11.669 1.00 0.00 H
ATOM 12 H6 ZBE A 1 10.793 10.088 13.300 1.00 0.00 H
ATOM 13 H7 ZBE A 1 9.188 11.703 12.264 1.00 0.00 H
ATOM 14 H8 ZBE A 1 10.716 12.464 12.704 1.00 0.00 H
ATOM 15 H9 ZBE A 1 9.858 11.571 9.909 1.00 0.00 H
ATOM 16 H10 ZBE A 1 10.043 13.230 10.474 1.00 0.00 H
ATOM 17 H11 ZBE A 1 11.994 12.465 9.105 1.00 0.00 H
ATOM 18 H12 ZBE A 1 12.463 12.938 10.737 1.00 0.00 H
TER 19 ZBE A 1
ATOM 20 C1 ZXQ S 1 10.172 31.276 27.866 1.00 0.00 C
ATOM 21 C2 ZXQ S 1 8.746 30.961 27.471 1.00 0.00 C
ATOM 22 O1 ZXQ S 1 8.752 30.264 26.234 1.00 0.00 O
ATOM 23 H1 ZXQ S 1 10.204 31.815 28.818 1.00 0.00 H
ATOM 24 H2 ZXQ S 1 10.758 30.356 27.962 1.00 0.00 H
ATOM 25 H3 ZXQ S 1 10.661 31.886 27.099 1.00 0.00 H
ATOM 26 H4 ZXQ S 1 8.169 31.883 27.352 1.00 0.00 H
ATOM 27 H5 ZXQ S 1 8.267 30.333 28.228 1.00 0.00 H
ATOM 28 H6 ZXQ S 1 7.826 30.079 26.011 1.00 0.00 H
TER 29 ZXQ S 1
ENDMDL
CONECT 1 6 2 7 8
CONECT 2 1 3 9 10
CONECT 3 2 4 11 12
CONECT 4 3 5 13 14
CONECT 5 4 6 15 16
CONECT 6 1 5 17 18
CONECT 7 1
CONECT 8 1
CONECT 9 2
CONECT 10 2
CONECT 11 3
CONECT 12 3
CONECT 13 4
CONECT 14 4
CONECT 15 5
CONECT 16 5
CONECT 17 6
CONECT 18 6
CONECT 20 21 23 24 25
CONECT 21 20 22 26 27
CONECT 22 21 28
CONECT 23 20
CONECT 24 20
CONECT 25 20
CONECT 26 21
CONECT 27 21
CONECT 28 22
END