BM1PT6
-OEChem-04012119282D
41 45 0 1 0 0 0 0 0999 V2000
5.4390 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9116 1.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 -0.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 -2.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1256 -1.7552 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.2596 -0.2552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1256 -0.7552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1461 -0.8588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5462 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0356 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3935 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2596 -2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2435 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3935 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0436 0.7932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1415 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4996 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4996 -2.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5935 -0.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5935 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9154 2.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8617 -1.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6543 -1.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9434 -1.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5147 -2.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2401 -0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6472 -0.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8610 -2.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6581 -2.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7030 1.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0448 1.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1391 1.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 0.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5995 0.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 -2.9098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5354 2.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9178 2.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2954 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -0.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 -1.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8 1 1 6 0 0 0
1 35 1 0 0 0 0
15 2 1 1 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 6 0 0 0
7 10 1 0 0 0 0
7 23 1 1 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
$$$$