BBI17K
-OEChem-04012118092D
49 52 0 1 0 0 0 0 0999 V2000
8.9962 1.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.0146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.5146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.9854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7700 0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9652 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 2.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.0146 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
11.4371 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9371 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4371 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4371 -2.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 2.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9371 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4371 -2.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 1.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 2.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2708 0.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4592 0.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3452 -0.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8992 -1.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5932 -0.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 2.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 2.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6626 0.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8656 0.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7471 0.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1271 -2.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 2.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5932 -1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 -1.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5571 -1.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7471 -2.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 18 2 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
3 17 1 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 18 1 0 0 0 0
5 11 1 0 0 0 0
5 44 1 0 0 0 0
5 45 1 0 0 0 0
6 10 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 12 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 13 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 15 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 16 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 14 1 0 0 0 0
11 17 1 0 0 0 0
11 35 1 0 0 0 0
12 13 1 0 0 0 0
12 19 2 0 0 0 0
13 20 2 0 0 0 0
14 18 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
15 21 2 0 0 0 0
16 22 2 0 0 0 0
19 23 1 0 0 0 0
19 40 1 0 0 0 0
20 24 1 0 0 0 0
20 41 1 0 0 0 0
21 25 1 0 0 0 0
21 42 1 0 0 0 0
22 26 1 0 0 0 0
22 43 1 0 0 0 0
23 24 2 0 0 0 0
23 46 1 0 0 0 0
24 47 1 0 0 0 0
25 26 2 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
$$$$