B3VAI6
-OEChem-04012114292D
47 50 0 0 0 0 0 0 0999 V2000
5.5361 3.2852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.5361 3.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5361 3.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -0.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -0.7148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 4.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -2.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 -3.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4021 5.7852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4021 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4021 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -2.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 -3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 -2.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 -4.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4021 4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -4.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -5.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2682 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1342 4.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2682 6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1342 5.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1332 2.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9391 2.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1332 0.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9391 0.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -1.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9992 4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2714 -2.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0688 -2.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 -3.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 -5.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2682 3.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -5.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 -6.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 -6.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6711 4.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2682 6.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6711 6.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 6 1 0 0 0 0
1 10 1 0 0 0 0
4 19 2 0 0 0 0
5 11 1 0 0 0 0
5 19 1 0 0 0 0
5 35 1 0 0 0 0
6 21 1 0 0 0 0
6 36 1 0 0 0 0
7 8 1 0 0 0 0
7 16 1 0 0 0 0
7 38 1 0 0 0 0
8 17 2 0 0 0 0
9 21 1 0 0 0 0
9 29 2 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 14 1 0 0 0 0
12 31 1 0 0 0 0
13 15 2 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 20 1 0 0 0 0
18 37 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
21 24 2 0 0 0 0
22 25 1 0 0 0 0
22 39 1 0 0 0 0
23 26 2 0 0 0 0
23 40 1 0 0 0 0
24 28 1 0 0 0 0
24 41 1 0 0 0 0
25 27 2 0 0 0 0
25 42 1 0 0 0 0
26 27 1 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
28 30 2 0 0 0 0
28 45 1 0 0 0 0
29 30 1 0 0 0 0
29 46 1 0 0 0 0
30 47 1 0 0 0 0
M END
$$$$