BI8N5C
-OEChem-04012119392D
61 62 0 1 0 0 0 0 0999 V2000
6.3582 2.4192 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6672 3.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0491 1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 2.7282 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 0.6404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.1404 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7891 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3092 2.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0524 2.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0034 2.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7465 3.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6976 2.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4408 3.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3918 3.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1350 3.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 1.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2227 2.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4791 2.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7045 3.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0333 4.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 4.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4916 3.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0181 1.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7978 1.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3434 3.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5638 3.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7123 1.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4920 2.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0376 3.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2580 3.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4065 2.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1862 2.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -0.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -0.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7318 4.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9522 3.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1007 2.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8804 2.8088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5498 3.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5957 4.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7201 4.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 5 1 0 0 0 0
1 11 1 0 0 0 0
4 12 2 0 0 0 0
5 7 1 0 0 0 0
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6 12 1 0 0 0 0
6 17 1 0 0 0 0
6 43 1 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
7 28 1 0 0 0 0
8 10 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 10 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 13 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
13 14 1 0 0 0 0
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14 15 1 0 0 0 0
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14 40 1 0 0 0 0
15 16 1 0 0 0 0
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16 18 1 0 0 0 0
16 44 1 0 0 0 0
16 45 1 0 0 0 0
17 19 1 0 0 0 0
17 46 1 0 0 0 0
17 47 1 0 0 0 0
18 20 1 0 0 0 0
18 48 1 0 0 0 0
18 49 1 0 0 0 0
19 21 1 0 0 0 0
19 50 1 0 0 0 0
19 51 1 0 0 0 0
20 22 1 0 0 0 0
20 52 1 0 0 0 0
20 53 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
22 54 1 0 0 0 0
22 55 1 0 0 0 0
22 56 1 0 0 0 0
23 25 1 0 0 0 0
23 57 1 0 0 0 0
24 26 2 0 0 0 0
24 58 1 0 0 0 0
25 27 2 0 0 0 0
25 59 1 0 0 0 0
26 27 1 0 0 0 0
26 60 1 0 0 0 0
27 61 1 0 0 0 0
M END
$$$$