BM1PT6
-OEChem-04022109513D
41 45 0 1 0 0 0 0 0999 V2000
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-3.3654 2.0517 -1.0507 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9380 1.5380 0.9065 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6479 0.0989 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2386 -1.8380 -0.9025 N 0 0 2 0 0 0 0 0 0 0 0 0
-0.7971 -0.1523 0.6823 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6227 -0.4416 -0.5983 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9253 -1.4806 1.4747 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2268 -2.5373 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1364 -0.2592 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6789 -0.0407 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1189 -1.8197 -1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3376 1.0472 1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1146 -0.9042 -0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4418 1.1683 0.0654 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5009 1.6475 1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6112 0.8032 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4490 -0.8944 -1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9171 0.7823 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3238 -0.0399 -0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2383 1.6446 -2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0307 1.1012 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3366 0.2225 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.7305 2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4937 -3.3522 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2067 -3.0020 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5401 -0.9656 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6438 -0.5449 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0195 -1.4813 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5185 -2.8407 -1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7734 1.4362 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4616 1.2030 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8070 2.5137 1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3437 1.4570 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7902 -1.0771 2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7828 -1.5386 -2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4748 2.5337 -2.6867 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1837 1.2368 -1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7376 0.9455 -2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8182 0.6891 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4317 1.9688 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 35 1 0 0 0 0
2 15 1 0 0 0 0
2 21 1 0 0 0 0
3 19 1 0 0 0 0
3 22 1 0 0 0 0
4 20 1 0 0 0 0
4 22 1 0 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
5 12 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
7 10 1 0 0 0 0
7 23 1 0 0 0 0
8 9 1 0 0 0 0
8 24 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 15 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 14 1 0 0 0 0
11 17 2 0 0 0 0
12 14 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 16 2 0 0 0 0
13 31 1 0 0 0 0
14 18 2 0 0 0 0
15 16 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
17 19 1 0 0 0 0
17 34 1 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
19 20 2 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$