B9WS7K
-OEChem-04012114582D
44 45 0 0 0 0 0 0 0999 V2000
6.3301 3.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3301 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -5.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -4.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -4.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -5.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -3.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 -1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 -2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 8 1 0 0 0 0
1 18 1 0 0 0 0
2 16 2 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 14 1 0 0 0 0
6 15 1 0 0 0 0
6 16 1 0 0 0 0
6 37 1 0 0 0 0
7 16 1 0 0 0 0
7 17 1 0 0 0 0
7 38 1 0 0 0 0
8 43 1 0 0 0 0
8 44 1 0 0 0 0
9 11 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
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10 26 1 0 0 0 0
11 13 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 13 1 0 0 0 0
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12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
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14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 21 1 0 0 0 0
19 39 1 0 0 0 0
20 22 2 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
M END
$$$$