B4A1UM
-OEChem-04022102243D
56 58 0 1 0 0 0 0 0999 V2000
-6.5238 0.1794 -1.9745 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.8789 0.0989 -1.3225 S 0 0 0 0 0 0 0 0 0 0 0 0
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1.8372 0.3712 -2.3782 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.6617 -0.6769 0.0238 N 0 0 1 0 0 0 0 0 0 0 0 0
-1.3212 -1.3675 1.9195 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0943 -0.4344 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9117 -0.7905 1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9884 -1.3407 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3907 1.6645 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5368 -2.5820 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5145 0.7129 0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2636 -1.7145 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3559 -1.0908 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2627 2.7329 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8510 1.7809 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8821 0.9630 0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8027 0.0611 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3873 -3.7611 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 4.1048 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8782 3.9649 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 3.0128 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5638 -1.5149 0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7826 5.4223 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4287 -0.5037 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6029 -2.0083 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3458 0.0216 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5199 -1.4827 -1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3914 -0.4679 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 -1.2598 2.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6178 0.1878 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5936 -2.4199 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2596 -2.8480 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8157 1.4137 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0850 -1.7856 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2372 2.6460 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5400 0.9459 0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2301 1.8569 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8675 0.2550 0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3366 -3.9932 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0632 -4.6520 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6458 -3.5522 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2284 -0.5671 2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3967 -3.1425 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9713 -2.0230 2.9635 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5611 4.8079 -0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2110 3.1086 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8685 5.5546 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4745 5.4945 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3300 6.2497 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4001 -0.1133 2.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9315 -2.8000 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0182 0.8128 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5443 -1.8741 -2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
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5 14 2 0 0 0 0
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7 14 1 0 0 0 0
7 22 1 0 0 0 0
7 45 1 0 0 0 0
8 10 1 0 0 0 0
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10 12 1 0 0 0 0
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13 18 1 0 0 0 0
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15 19 1 0 0 0 0
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17 24 2 0 0 0 0
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20 44 1 0 0 0 0
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25 27 2 0 0 0 0
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27 29 1 0 0 0 0
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28 30 2 0 0 0 0
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29 31 2 0 0 0 0
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30 31 1 0 0 0 0
30 56 1 0 0 0 0
M END
$$$$