B4OY7P
-OEChem-04012115432D
41 45 0 0 0 0 0 0 0999 V2000
2.5369 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6793 -2.6132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4064 0.7515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2629 -1.8085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9362 0.2515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6793 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9900 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9900 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9405 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7838 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6848 1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5280 3.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4786 2.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8719 -3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7864 0.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1944 2.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 0.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2741 1.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6490 -2.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8890 -2.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4002 3.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9400 3.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
1 41 1 0 0 0 0
2 4 1 0 0 0 0
2 9 1 0 0 0 0
2 30 1 0 0 0 0
3 12 1 0 0 0 0
3 16 1 0 0 0 0
3 31 1 0 0 0 0
4 8 2 0 0 0 0
5 12 2 0 0 0 0
5 17 1 0 0 0 0
6 20 1 0 0 0 0
6 26 2 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
7 11 1 0 0 0 0
8 12 1 0 0 0 0
9 14 1 0 0 0 0
10 11 2 0 0 0 0
10 13 1 0 0 0 0
10 15 1 0 0 0 0
11 27 1 0 0 0 0
13 18 1 0 0 0 0
13 20 2 0 0 0 0
14 15 2 0 0 0 0
14 28 1 0 0 0 0
15 29 1 0 0 0 0
16 17 1 0 0 0 0
16 19 2 0 0 0 0
17 21 2 0 0 0 0
18 22 2 0 0 0 0
18 23 1 0 0 0 0
19 24 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
21 25 1 0 0 0 0
21 34 1 0 0 0 0
22 26 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
24 25 2 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$