BS62OW
-OEChem-04012115263D
38 40 0 0 0 0 0 0 0999 V2000
4.7546 -1.1131 -0.0578 S 0 0 0 0 0 0 0 0 0 0 0 0
0.1246 5.4865 -0.1009 F 0 0 0 0 0 0 0 0 0 0 0 0
5.1614 -1.9593 -1.1709 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2836 0.2392 0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4196 -2.1389 0.0565 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1566 -0.8299 0.0085 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8728 -1.9669 0.0346 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0577 -1.9427 1.4049 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8917 -3.8303 0.0867 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9177 0.3037 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2378 -0.8967 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3890 1.6456 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2241 -0.1253 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0107 -1.0298 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9779 0.1248 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8638 -1.9840 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1350 -1.5301 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3711 0.0581 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 -2.0509 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1201 2.3123 1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1466 2.2762 -1.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6089 3.6099 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6352 3.5738 -1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2166 -2.4728 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3663 4.2407 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1117 0.4919 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5927 0.8938 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3044 -2.7897 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9395 0.8404 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 -2.9092 -1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3211 1.8442 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3499 1.7698 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4032 4.1308 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4458 4.0650 -2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4726 -1.4091 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3913 -2.9123 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6169 -4.5399 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9298 -4.1546 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
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2 25 1 0 0 0 0
5 24 2 0 0 0 0
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7 17 2 0 0 0 0
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16 19 2 0 0 0 0
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23 25 1 0 0 0 0
23 34 1 0 0 0 0
M END
$$$$