L83BFE
-OEChem-05022322182D
29 31 0 0 0 0 0 0 0999 V2000
4.3211 3.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -1.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 -1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 -2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 -3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7144 -1.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0953 1.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5741 2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8396 3.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2177 -3.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8848 -2.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8029 -3.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 10 1 0 0 0 0
3 6 1 0 0 0 0
3 13 2 0 0 0 0
4 9 1 0 0 0 0
4 17 2 0 0 0 0
5 6 2 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
7 8 2 0 0 0 0
7 11 1 0 0 0 0
8 19 1 0 0 0 0
9 14 2 0 0 0 0
10 12 2 0 0 0 0
10 20 1 0 0 0 0
11 15 1 0 0 0 0
12 13 1 0 0 0 0
12 21 1 0 0 0 0
13 22 1 0 0 0 0
14 16 1 0 0 0 0
14 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
16 18 2 0 0 0 0
16 27 1 0 0 0 0
17 18 1 0 0 0 0
17 28 1 0 0 0 0
18 29 1 0 0 0 0
M END
$$$$