B2T8CF
-OEChem-04012115372D
58 61 0 1 0 0 0 0 0999 V2000
5.5321 -2.3099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9176 0.2247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.3099 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
2.9408 2.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -2.3099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.3099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6660 -0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7894 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8009 1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0690 1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -1.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 -0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9996 -0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -3.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -3.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -2.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9947 0.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4012 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 0.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8387 0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4102 1.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0197 2.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8637 2.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4572 1.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -3.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 2.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5287 -0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7316 -0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6441 -2.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8841 -2.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2651 -0.9999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -3.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2842 -3.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1312 -3.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9042 -2.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 12 1 0 0 0 0
1 35 1 0 0 0 0
2 10 1 0 0 0 0
2 13 1 0 0 0 0
2 14 1 0 0 0 0
3 11 1 0 0 0 0
3 20 1 0 0 0 0
3 21 1 0 0 0 0
4 15 1 0 0 0 0
4 16 1 0 0 0 0
4 46 1 0 0 0 0
5 22 2 0 0 0 0
5 25 1 0 0 0 0
6 7 1 0 0 0 0
6 11 1 6 0 0 0
6 28 1 0 0 0 0
7 8 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 12 1 0 0 0 0
9 17 1 0 0 0 0
10 18 2 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 15 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 16 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
17 19 2 0 0 0 0
17 44 1 0 0 0 0
18 19 1 0 0 0 0
18 45 1 0 0 0 0
19 47 1 0 0 0 0
20 22 1 0 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
21 50 1 0 0 0 0
21 51 1 0 0 0 0
21 52 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 53 1 0 0 0 0
24 26 1 0 0 0 0
24 54 1 0 0 0 0
25 26 2 0 0 0 0
25 55 1 0 0 0 0
26 27 1 0 0 0 0
27 56 1 0 0 0 0
27 57 1 0 0 0 0
27 58 1 0 0 0 0
M END
$$$$