B3XP9G
-OEChem-04022107342D
45 48 0 0 0 0 0 0 0999 V2000
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9.2619 1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -0.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.2303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2619 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7619 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8445 -0.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1542 -0.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2869 -1.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2869 -1.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3445 0.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6542 0.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2368 -1.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2368 -1.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6793 -2.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3695 -3.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1793 -0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8695 -0.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 2.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 2.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 -0.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 2.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -0.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 11 1 0 0 0 0
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3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
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5 14 2 0 0 0 0
5 16 1 0 0 0 0
6 9 1 0 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 10 1 0 0 0 0
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8 11 1 0 0 0 0
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9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
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13 19 2 0 0 0 0
13 20 1 0 0 0 0
15 16 1 0 0 0 0
15 21 2 0 0 0 0
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17 19 1 0 0 0 0
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18 20 2 0 0 0 0
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20 41 1 0 0 0 0
21 23 1 0 0 0 0
21 42 1 0 0 0 0
22 24 1 0 0 0 0
22 43 1 0 0 0 0
23 24 2 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
M END
$$$$