Doodle3D-Slicer/three.js-master/examples/models/molecules/aspirin.pdb
2015-06-12 15:58:26 +02:00

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HEADER
HETATM 1 C UNK 0001 -0.778 -3.342 -0.910
HETATM 2 O UNK 0001 -1.251 -3.633 -1.994
HETATM 3 O UNK 0001 -0.469 -4.239 0.048
HETATM 4 C UNK 0001 -0.569 -1.952 -0.480
HETATM 5 C UNK 0001 -1.706 -1.156 -0.297
HETATM 6 C UNK 0001 -1.565 0.180 0.087
HETATM 7 C UNK 0001 -0.294 0.725 0.273
HETATM 8 C UNK 0001 0.843 -0.060 0.075
HETATM 9 C UNK 0001 0.703 -1.401 -0.291
HETATM 10 O UNK 0001 1.883 -2.113 -0.531
HETATM 11 C UNK 0001 2.213 -2.986 0.497
HETATM 12 C UNK 0001 3.539 -3.621 0.208
HETATM 13 O UNK 0001 1.510 -3.239 1.470
HETATM 14 H UNK 0001 -0.081 -3.852 0.870
HETATM 15 H UNK 0001 -2.698 -1.572 -0.462
HETATM 16 H UNK 0001 -2.449 0.799 0.229
HETATM 17 H UNK 0001 -0.189 1.769 0.561
HETATM 18 H UNK 0001 1.830 0.376 0.201
HETATM 19 H UNK 0001 4.294 -2.847 0.047
HETATM 20 H UNK 0001 3.844 -4.225 1.067
HETATM 21 H UNK 0001 3.456 -4.267 -0.669
CONECT 1 2 3 4
CONECT 2 1
CONECT 3 1 14
CONECT 4 1 5 9
CONECT 5 4 6 15
CONECT 6 5 7 16
CONECT 7 6 8 17
CONECT 8 7 9 18
CONECT 9 4 8 10
CONECT 10 9 11
CONECT 11 10 12 13
CONECT 12 11 19 20 21
CONECT 13 11
CONECT 14 3
CONECT 15 5
CONECT 16 6
CONECT 17 7
CONECT 18 8
CONECT 19 12
CONECT 20 12
CONECT 21 12
END