B74GXI
-OEChem-04012115442D
44 48 0 0 0 0 0 0 0999 V2000
3.4030 -2.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5453 -2.6132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2724 0.7515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1289 -1.8085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8022 0.2515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.6915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.8085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5453 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8560 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8560 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8065 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6498 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5508 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3941 3.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3446 2.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7379 -3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6524 0.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 0.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0604 2.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5150 -2.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7550 -2.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1401 1.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2662 3.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8061 3.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 2 0 0 0 0
2 4 1 0 0 0 0
2 10 1 0 0 0 0
2 32 1 0 0 0 0
3 13 1 0 0 0 0
3 18 1 0 0 0 0
3 33 1 0 0 0 0
4 9 2 0 0 0 0
5 13 2 0 0 0 0
5 19 1 0 0 0 0
6 21 1 0 0 0 0
6 25 2 0 0 0 0
7 28 1 0 0 0 0
7 43 1 0 0 0 0
7 44 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
8 12 1 0 0 0 0
9 13 1 0 0 0 0
10 15 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
11 16 1 0 0 0 0
12 29 1 0 0 0 0
14 17 1 0 0 0 0
14 21 2 0 0 0 0
15 16 2 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
17 20 2 0 0 0 0
17 23 1 0 0 0 0
18 19 1 0 0 0 0
18 22 2 0 0 0 0
19 24 2 0 0 0 0
20 25 1 0 0 0 0
20 28 1 0 0 0 0
21 34 1 0 0 0 0
22 26 1 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 27 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
26 27 2 0 0 0 0
26 41 1 0 0 0 0
27 42 1 0 0 0 0
M END
$$$$