DD1E6R
-OEChem-01102402172D
49 52 0 0 0 0 0 0 0999 V2000
6.7619 2.0981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 3.7688 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8958 1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7619 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7619 -3.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7619 -1.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 2.9641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.1594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2619 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2619 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7619 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2619 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7619 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2619 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2619 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3445 -1.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6542 -0.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4519 -1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5719 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1419 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3819 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9519 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5719 3.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1419 -3.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9519 -4.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5719 -4.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3819 -1.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7249 -4.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5719 -4.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7988 -3.6541 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 10 1 0 0 0 0
2 19 1 0 0 0 0
2 21 1 0 0 0 0
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6 23 1 0 0 0 0
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12 16 2 0 0 0 0
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27 29 1 0 0 0 0
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28 29 2 0 0 0 0
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29 45 1 0 0 0 0
30 47 1 0 0 0 0
30 48 1 0 0 0 0
30 49 1 0 0 0 0
M END
$$$$