BW5V2F
-OEChem-04022106392D
38 40 0 1 0 0 0 0 0999 V2000
2.5000 -2.4520 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 3.2505 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 0.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4487 3.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.2495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.7495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 4.2505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -2.2441 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2213 -2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1724 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 -3.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9155 -3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 -4.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7076 -4.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3177 -2.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -1.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -1.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 -1.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3012 -1.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4237 -4.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 0.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 0.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5052 -3.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6276 -5.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1683 -4.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 4.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 4.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 11 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 8 1 0 0 0 0
2 18 1 0 0 0 0
3 12 2 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 12 1 0 0 0 0
7 13 1 0 0 0 0
7 27 1 0 0 0 0
8 37 1 0 0 0 0
8 38 1 0 0 0 0
9 10 1 0 0 0 0
9 24 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 12 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 21 1 0 0 0 0
14 28 1 0 0 0 0
15 22 2 0 0 0 0
15 29 1 0 0 0 0
16 19 1 0 0 0 0
16 30 1 0 0 0 0
17 20 2 0 0 0 0
17 31 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
21 23 2 0 0 0 0
21 34 1 0 0 0 0
22 23 1 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
M END
$$$$