BA7EQ4
-OEChem-04022101452D
46 50 0 0 0 0 0 0 0999 V2000
3.3357 0.0637 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.7613 3.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5604 -1.7117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2311 0.3719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5819 -1.5055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1698 -1.7117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8651 -2.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9911 1.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2311 3.3719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3651 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3651 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8710 -2.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2311 1.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9140 -2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0972 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2032 -3.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2247 -3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0972 2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9355 -2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3651 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9911 3.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3651 2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6249 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2677 -2.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8972 2.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8972 1.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 -2.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9785 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6292 2.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1530 0.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7545 -0.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7681 0.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3958 -3.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8106 -3.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8282 1.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9839 4.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8282 3.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0389 -0.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4603 -3.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4329 1.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8751 -3.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3213 2.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1673 2.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9371 3.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0 0 0 0
2 30 1 0 0 0 0
3 26 1 0 0 0 0
3 31 1 0 0 0 0
4 6 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
5 34 1 0 0 0 0
6 15 2 0 0 0 0
7 8 1 0 0 0 0
7 12 2 0 0 0 0
8 13 2 0 0 0 0
9 16 1 0 0 0 0
9 27 2 0 0 0 0
10 19 2 0 0 0 0
10 23 1 0 0 0 0
11 12 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
13 17 1 0 0 0 0
14 16 2 0 0 0 0
14 21 1 0 0 0 0
15 18 1 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
17 18 2 0 0 0 0
17 35 1 0 0 0 0
18 36 1 0 0 0 0
19 22 1 0 0 0 0
20 24 2 0 0 0 0
20 25 1 0 0 0 0
21 23 2 0 0 0 0
21 37 1 0 0 0 0
22 26 2 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 28 1 0 0 0 0
24 40 1 0 0 0 0
25 29 2 0 0 0 0
25 41 1 0 0 0 0
26 27 1 0 0 0 0
27 42 1 0 0 0 0
28 30 2 0 0 0 0
29 30 1 0 0 0 0
29 43 1 0 0 0 0
31 44 1 0 0 0 0
31 45 1 0 0 0 0
31 46 1 0 0 0 0
M END
$$$$