B2EM1J
-OEChem-04012116092D
36 39 0 0 0 0 0 0 0999 V2000
5.3147 -1.6699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.1699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1270 -0.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7483 3.0359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4487 -2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -3.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1270 1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7106 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4376 2.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2882 -1.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3410 -1.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8661 -2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4738 -3.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4236 -3.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 -1.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 2.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 2.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 0.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 3.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 2.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -0.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3306 0.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 14 1 0 0 0 0
1 26 1 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
2 15 1 0 0 0 0
3 5 1 0 0 0 0
3 14 1 0 0 0 0
3 17 1 0 0 0 0
4 15 2 0 0 0 0
4 17 1 0 0 0 0
5 19 2 0 0 0 0
6 20 3 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 21 1 0 0 0 0
8 9 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 16 2 0 0 0 0
15 16 1 0 0 0 0
16 35 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
19 36 1 0 0 0 0
M END
$$$$