B31BTC
-OEChem-04012115172D
49 53 0 1 0 0 0 0 0999 V2000
8.7356 -3.0562 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.7137 -2.6381 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.9003 -4.4652 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8425 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.7657 4.0315 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.1890 2.0769 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5546 -1.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7858 1.1979 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
10.9504 -0.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9820 3.6805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9820 3.6805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6576 2.4972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3735 0.3889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3681 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9558 -0.3156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9668 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5491 -1.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7917 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0938 2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4820 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2910 2.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1369 -2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6730 2.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7302 -2.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1314 -1.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2971 4.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 3.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2766 4.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7192 -2.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3179 -3.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3125 -3.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7569 0.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9253 0.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1972 1.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3203 -0.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4528 -0.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5361 -0.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2969 -1.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1855 1.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8574 0.5805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6598 1.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4048 2.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2025 0.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3148 -0.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3836 -1.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4955 5.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8635 4.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0658 -4.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 29 1 0 0 0 0
3 31 1 0 0 0 0
4 32 1 0 0 0 0
5 32 1 0 0 0 0
6 32 1 0 0 0 0
7 16 1 0 0 0 0
7 17 1 0 0 0 0
13 8 1 6 0 0 0
8 18 1 0 0 0 0
8 19 1 0 0 0 0
15 9 1 6 0 0 0
9 44 1 0 0 0 0
9 45 1 0 0 0 0
10 11 1 0 0 0 0
10 23 1 0 0 0 0
10 26 1 0 0 0 0
11 21 2 0 0 0 0
12 23 1 0 0 0 0
12 27 2 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
13 33 1 0 0 0 0
14 15 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 17 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 22 1 1 0 0 0
17 39 1 0 0 0 0
18 20 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
19 21 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 21 1 0 0 0 0
20 23 2 0 0 0 0
22 24 1 0 0 0 0
22 25 2 0 0 0 0
24 30 2 0 0 0 0
25 29 1 0 0 0 0
25 46 1 0 0 0 0
26 28 2 0 0 0 0
26 47 1 0 0 0 0
27 28 1 0 0 0 0
27 32 1 0 0 0 0
28 48 1 0 0 0 0
29 31 2 0 0 0 0
30 31 1 0 0 0 0
30 49 1 0 0 0 0
M END
$$$$