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HEADER Penicillin G, an antibiotic
COMPND al3077
AUTHOR Created by Dave Woodcock at Okanagan University College
AUTHOR email:woodcock@okanagan.bc.ca
AUTHOR Date revised: Wed Aug 30 12:33:12 2000 GENERATED BY BABEL 1.6
HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00
HETATM 2 C 1 1.542 0.000 0.000 1.00 0.00
HETATM 3 C 1 1.415 1.509 0.000 1.00 0.00
HETATM 4 O 1 2.209 2.398 -0.083 1.00 0.00
HETATM 5 N 1 0.066 1.475 0.061 1.00 0.00
HETATM 6 N 1 2.125 -0.528 1.243 1.00 0.00
HETATM 7 C 1 2.235 -1.858 1.457 1.00 0.00
HETATM 8 O 1 2.669 -2.251 2.509 1.00 0.00
HETATM 9 C 1 1.827 -2.860 0.414 1.00 0.00
HETATM 10 C 1 1.446 -4.153 1.098 1.00 0.00
HETATM 11 C 1 0.143 -4.328 1.578 1.00 0.00
HETATM 12 C 1 -0.216 -5.521 2.214 1.00 0.00
HETATM 13 C 1 0.729 -6.540 2.373 1.00 0.00
HETATM 14 C 1 2.034 -6.363 1.902 1.00 0.00
HETATM 15 C 1 2.393 -5.168 1.268 1.00 0.00
HETATM 16 S 1 -0.818 -0.450 1.519 1.00 0.00
HETATM 17 C 1 -1.605 1.127 1.810 1.00 0.00
HETATM 18 C 1 -1.800 1.394 3.317 1.00 0.00
HETATM 19 C 1 -2.966 1.138 1.082 1.00 0.00
HETATM 20 C 1 -0.629 2.147 1.173 1.00 0.00
HETATM 21 C 1 -1.351 3.368 0.682 1.00 0.00
HETATM 22 O 1 -1.537 3.505 -0.499 1.00 0.00
HETATM 23 O 1 -2.048 4.114 1.557 1.00 0.00
HETATM 24 H 1 -0.466 -0.363 -0.916 1.00 0.00
HETATM 25 H 1 1.982 -0.387 -0.919 1.00 0.00
HETATM 26 H 1 2.409 0.115 1.973 1.00 0.00
HETATM 27 H 1 2.660 -3.033 -0.268 1.00 0.00
HETATM 28 H 1 0.971 -2.493 -0.151 1.00 0.00
HETATM 29 H 1 -0.596 -3.536 1.454 1.00 0.00
HETATM 30 H 1 -1.232 -5.657 2.584 1.00 0.00
HETATM 31 H 1 0.449 -7.470 2.868 1.00 0.00
HETATM 32 H 1 2.772 -7.155 2.030 1.00 0.00
HETATM 33 H 1 3.412 -5.032 0.906 1.00 0.00
HETATM 34 H 1 -0.839 1.345 3.829 1.00 0.00
HETATM 35 H 1 -2.470 0.644 3.739 1.00 0.00
HETATM 36 H 1 -2.233 2.384 3.459 1.00 0.00
HETATM 37 H 1 -3.586 0.322 1.454 1.00 0.00
HETATM 38 H 1 -2.811 1.012 0.010 1.00 0.00
HETATM 39 H 1 -3.480 2.082 1.263 1.00 0.00
HETATM 40 H 1 0.108 2.446 1.919 1.00 0.00
HETATM 41 H 1 -2.798 4.548 1.098 1.00 0.00
CONECT 1 2 5 16 24
CONECT 2 1 3 6 25
CONECT 3 2 4 4 5
CONECT 4 3 3
CONECT 5 1 3 20
CONECT 6 2 7 26
CONECT 7 6 8 8 9
CONECT 8 7 7
CONECT 9 7 10 27 28
CONECT 10 9 11 11 15
CONECT 11 10 10 12 29
CONECT 12 11 13 13 30
CONECT 13 12 12 14 31
CONECT 14 13 15 15 32
CONECT 15 10 14 14 33
CONECT 16 1 17
CONECT 17 16 18 19 20
CONECT 18 17 34 35 36
CONECT 19 17 37 38 39
CONECT 20 5 17 21 40
CONECT 21 20 22 22 23
CONECT 22 21 21
CONECT 23 21 41
CONECT 24 1
CONECT 25 2
CONECT 26 6
CONECT 27 9
CONECT 28 9
CONECT 29 11
CONECT 30 12
CONECT 31 13
CONECT 32 14
CONECT 33 15
CONECT 34 18
CONECT 35 18
CONECT 36 18
CONECT 37 19
CONECT 38 19
CONECT 39 19
CONECT 40 20
CONECT 41 23
MASTER 0 0 0 0 0 0 0 0 41 0 41 0
END
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