B5OF3I
-OEChem-04022113083D
44 44 0 1 0 0 0 0 0999 V2000
2.9144 -1.0670 -1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5817 2.9505 -0.6324 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9828 0.2747 -0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1501 2.8218 0.6143 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1134 -2.8202 -1.1403 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1670 2.4303 0.2128 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3811 0.4877 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2613 -1.7372 0.7359 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1190 -0.7720 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4008 0.5659 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 -0.7744 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3627 1.7559 -0.5922 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9590 0.4243 0.8790 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2132 1.7480 0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 -1.8959 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8001 -2.6701 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0942 -2.2915 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6258 -0.9123 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9403 -0.5460 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4326 0.8322 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7502 1.1952 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8664 0.5718 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6275 0.7339 0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4018 -0.7529 1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5943 -1.7002 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0066 1.7618 -1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4724 0.4439 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5665 1.9440 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4323 -1.8692 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0654 2.9358 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4396 -0.5652 0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3487 -0.9374 1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6733 2.8041 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4898 -3.6761 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 -2.6673 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 -2.3143 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8536 -3.0495 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8795 -0.1454 0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7699 -0.8850 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8023 -0.5596 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6998 -1.3030 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5731 0.8466 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6957 1.5947 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0219 2.6729 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 29 1 0 0 0 0
2 12 1 0 0 0 0
2 30 1 0 0 0 0
3 13 1 0 0 0 0
3 31 1 0 0 0 0
4 14 1 0 0 0 0
4 33 1 0 0 0 0
5 15 2 0 0 0 0
6 21 1 0 0 0 0
6 44 1 0 0 0 0
7 21 2 0 0 0 0
8 15 1 0 0 0 0
8 16 1 0 0 0 0
8 32 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 15 1 0 0 0 0
10 12 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
11 13 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 14 1 0 0 0 0
12 26 1 0 0 0 0
13 14 1 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
16 17 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 18 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 19 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
19 20 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
20 21 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
M END
$$$$