B1A4TP
-OEChem-04022100232D
41 43 0 1 0 0 0 0 0999 V2000
4.5134 -0.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6166 -2.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4364 0.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9677 -3.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 3.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 0.9829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7867 -2.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 2.4830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2044 -1.5559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.2044 -1.5559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8954 -0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 -0.0171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.7922 -2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3745 -3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7044 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3690 -2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9568 -3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7757 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9513 -3.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7703 -1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3580 -2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8168 -1.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4859 -2.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5854 -0.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3290 -0.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2568 0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2349 -2.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9631 -2.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0389 -1.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 1.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1074 2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7046 -4.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4113 -1.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3157 -4.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0224 -1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9746 -2.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 12 1 0 0 0 0
2 10 1 0 0 0 0
2 32 1 0 0 0 0
3 14 2 0 0 0 0
4 16 2 0 0 0 0
5 18 2 0 0 0 0
6 12 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 13 1 0 0 0 0
7 16 1 0 0 0 0
7 33 1 0 0 0 0
8 14 1 0 0 0 0
8 18 1 0 0 0 0
8 35 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
10 26 1 0 0 0 0
11 12 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
15 17 2 0 0 0 0
15 34 1 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 36 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 37 1 0 0 0 0
21 23 2 0 0 0 0
21 38 1 0 0 0 0
22 24 2 0 0 0 0
22 39 1 0 0 0 0
23 24 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
M END
$$$$