BF31XV
-OEChem-04022102062D
41 43 0 1 0 0 0 0 0999 V2000
4.6783 -1.3759 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3701 2.1969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -1.4372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7094 0.7199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.1841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2619 -0.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 1.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3758 2.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -2.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5763 1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1815 1.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 -0.3591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1542 0.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1793 -1.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8695 -2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7826 2.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9070 2.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8596 1.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0667 2.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 -2.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5719 -2.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7988 -1.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7988 -0.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5719 -0.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7249 -0.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1423 0.9653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 21 1 0 0 0 0
3 11 1 0 0 0 0
3 19 1 0 0 0 0
3 20 1 0 0 0 0
4 13 1 0 0 0 0
4 21 2 0 0 0 0
5 6 1 0 0 0 0
5 7 2 0 0 0 0
5 8 1 0 0 0 0
6 12 1 1 0 0 0
6 13 1 0 0 0 0
6 22 1 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
8 14 2 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
10 15 2 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 18 2 0 0 0 0
14 16 1 0 0 0 0
14 30 1 0 0 0 0
15 17 1 0 0 0 0
15 31 1 0 0 0 0
16 17 2 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
M END
$$$$