BI4MC7
-OEChem-04012119272D
49 52 0 1 0 0 0 0 0999 V2000
4.4487 0.5398 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.3371 -4.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 3.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 1.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.0398 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -1.2650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 2.0343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 2.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -3.3722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.2822 -2.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3866 -4.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -2.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 4.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 1.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 0.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 0.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.7406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 2.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1122 -3.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8960 -2.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3027 -1.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7670 -4.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4740 -4.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -2.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 3.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 4.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 4.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 8 1 0 0 0 0
1 17 1 0 0 0 0
2 15 1 0 0 0 0
2 18 1 0 0 0 0
3 14 1 0 0 0 0
3 27 1 0 0 0 0
6 25 2 0 0 0 0
7 26 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 19 1 0 0 0 0
9 20 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 1 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 16 1 0 0 0 0
15 18 1 0 0 0 0
15 37 1 0 0 0 0
16 19 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 22 2 0 0 0 0
17 23 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 21 2 0 0 0 0
20 24 1 0 0 0 0
21 22 1 0 0 0 0
21 26 1 0 0 0 0
22 44 1 0 0 0 0
23 24 2 0 0 0 0
23 45 1 0 0 0 0
24 46 1 0 0 0 0
25 26 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
M END
$$$$