BS62OW
-OEChem-04012114332D
38 40 0 0 0 0 0 0 0999 V2000
4.0823 -3.2265 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.6956 0.1252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 -3.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0823 -3.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 0.7735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 1.3613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.2265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.0349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 1.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5855 1.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0014 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 3.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7445 0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 2.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -0.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -0.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -2.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -2.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4566 2.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5895 -0.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9973 1.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1302 -0.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5454 -4.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6192 -4.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0368 4.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0179 4.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
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1 8 1 0 0 0 0
1 14 1 0 0 0 0
2 25 1 0 0 0 0
5 24 2 0 0 0 0
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6 10 1 0 0 0 0
6 11 1 0 0 0 0
7 17 2 0 0 0 0
8 35 1 0 0 0 0
8 36 1 0 0 0 0
9 24 1 0 0 0 0
9 37 1 0 0 0 0
9 38 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 17 1 0 0 0 0
13 26 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 18 1 0 0 0 0
15 27 1 0 0 0 0
16 19 2 0 0 0 0
16 28 1 0 0 0 0
17 24 1 0 0 0 0
18 29 1 0 0 0 0
19 30 1 0 0 0 0
20 22 1 0 0 0 0
20 31 1 0 0 0 0
21 23 2 0 0 0 0
21 32 1 0 0 0 0
22 25 2 0 0 0 0
22 33 1 0 0 0 0
23 25 1 0 0 0 0
23 34 1 0 0 0 0
M END
$$$$