BG9R4N
-OEChem-04022103302D
52 55 0 1 0 0 0 0 0999 V2000
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10.6279 -1.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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12.1279 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 -0.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6279 -2.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 3.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 1.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 0.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 0.6899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6279 0.6899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1279 -0.1761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1279 -0.1761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6279 -1.0422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1279 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 1.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 2.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0079 0.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2479 0.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4379 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8179 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -1.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6029 -2.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6029 -1.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 1.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4379 2.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7479 1.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4379 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 -1.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7105 1.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0202 2.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3179 -1.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9379 -3.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 14 1 0 0 0 0
2 15 1 0 0 0 0
11 3 1 6 0 0 0
3 39 1 0 0 0 0
12 4 1 1 0 0 0
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13 5 1 6 0 0 0
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14 16 1 1 0 0 0
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16 18 2 0 0 0 0
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18 20 1 0 0 0 0
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28 30 1 0 0 0 0
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30 50 1 0 0 0 0
30 51 1 0 0 0 0
30 52 1 0 0 0 0
M END
$$$$