BV56JW
-OEChem-04022103172D
55 59 0 1 0 0 0 0 0999 V2000
8.0619 -1.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.5676 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.4783 -0.6276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9340 2.5676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4783 -2.2371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.4324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7424 2.9682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 2.0676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8000 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 2.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0619 -1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7889 0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7889 -3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -2.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7674 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0781 1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4353 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0566 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4138 -0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7245 0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4103 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 2.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1894 1.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5880 0.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 0.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 1.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 3.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 3.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 1.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 2.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9340 3.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3970 2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7684 0.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1751 0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 0.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1996 -3.3802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9816 -3.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3783 -2.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -3.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2427 -0.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2492 2.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8279 -0.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3311 1.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
2 13 1 0 0 0 0
3 14 1 0 0 0 0
3 18 1 0 0 0 0
3 19 1 0 0 0 0
8 4 1 6 0 0 0
4 41 1 0 0 0 0
4 42 1 0 0 0 0
5 16 1 0 0 0 0
5 18 1 0 0 0 0
5 21 1 0 0 0 0
6 16 2 0 0 0 0
6 17 1 0 0 0 0
7 31 3 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 32 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 12 1 0 0 0 0
10 37 1 0 0 0 0
10 38 1 0 0 0 0
11 12 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 39 1 0 0 0 0
12 40 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
15 20 2 0 0 0 0
17 22 2 0 0 0 0
19 23 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
20 24 1 0 0 0 0
20 45 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
22 25 1 0 0 0 0
22 49 1 0 0 0 0
23 26 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
24 50 1 0 0 0 0
25 51 1 0 0 0 0
26 28 2 0 0 0 0
26 31 1 0 0 0 0
27 29 1 0 0 0 0
27 52 1 0 0 0 0
28 30 1 0 0 0 0
28 53 1 0 0 0 0
29 30 2 0 0 0 0
29 54 1 0 0 0 0
30 55 1 0 0 0 0
M END
$$$$