BB4I2P
-OEChem-04012115242D
38 39 0 1 0 0 0 0 0999 V2000
2.5896 -1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 3.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 1.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7111 -2.5538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7976 -2.1470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6066 -3.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1284 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6284 -3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5771 -2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5771 -1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7111 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5771 0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7111 0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5771 1.9462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7111 2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2311 -2.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1987 -1.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6714 -4.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2266 -3.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7136 -2.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6268 -3.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0620 -4.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8200 -4.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7892 -2.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1877 -1.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1742 -0.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9801 -0.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1742 0.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9801 0.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0402 1.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0211 2.9832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1742 2.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 1.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9801 3.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5 1 1 1 0 0 0
1 29 1 0 0 0 0
2 18 1 0 0 0 0
2 38 1 0 0 0 0
3 18 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 9 1 6 0 0 0
4 19 1 0 0 0 0
5 7 1 0 0 0 0
5 20 1 0 0 0 0
6 8 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 8 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 10 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
11 14 1 0 0 0 0
11 30 1 0 0 0 0
12 15 2 0 0 0 0
12 31 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
14 32 1 0 0 0 0
15 33 1 0 0 0 0
16 17 1 1 0 0 0
16 18 1 0 0 0 0
16 34 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
M END
$$$$