BOM70P
-OEChem-04022107373D
53 56 0 0 0 0 0 0 0999 V2000
-2.3377 -1.7434 -0.9253 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.1476 0.3284 2.2726 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3849 -0.2519 0.2648 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6732 -1.2438 0.4125 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6782 -1.2194 0.5762 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6526 -0.4438 -1.6859 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5390 0.2791 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7059 -0.7109 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9306 1.6446 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9559 -0.1555 -1.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1819 2.1971 -0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0353 -1.5916 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2348 0.6530 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3431 1.2094 -0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8233 -2.1483 0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0224 0.0957 0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4818 -1.7749 1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.5797 0.1530 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6750 -0.5838 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5355 1.1086 0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5674 1.2863 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5810 0.4976 -1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5027 1.9413 1.9155 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6840 0.6802 -2.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2848 0.4142 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9383 -0.9489 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4905 -1.6516 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1519 2.3982 -0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1098 1.5687 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7888 -0.8560 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7770 -0.0674 -2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9579 2.4230 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4737 3.1411 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8309 -2.3172 -0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8316 -1.5829 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9707 0.8257 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4319 1.6250 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1997 1.6076 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6629 1.0960 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0836 -2.3106 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5727 -3.1262 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1899 0.7904 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2362 0.0785 1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5559 -2.8638 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4240 -1.5738 2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3483 2.0217 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3472 2.6381 1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5881 2.5421 1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5620 1.3100 2.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6522 0.4741 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5671 -0.0008 -3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6831 1.7045 -2.7624 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 18 2 0 0 0 0
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9 11 1 0 0 0 0
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18 19 1 0 0 0 0
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21 22 2 0 0 0 0
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22 47 1 0 0 0 0
23 25 1 0 0 0 0
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24 50 1 0 0 0 0
25 51 1 0 0 0 0
25 52 1 0 0 0 0
25 53 1 0 0 0 0
M END
$$$$