D03TBJ
-OEChem-08301509462D
55 59 0 0 0 0 0 0 0999 V2000
2.2039 4.0286 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.7226 0.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3565 -2.6242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0443 0.4371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8565 0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8565 -1.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7226 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9905 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7226 -1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9905 -1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9905 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6226 -2.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9905 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8565 2.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7226 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0443 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4607 1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3565 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5302 -3.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4490 -3.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5623 -2.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6369 2.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4293 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2150 -4.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3283 -2.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6079 3.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1547 -3.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7784 0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3799 -0.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3331 -0.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9346 0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3799 -1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7784 -1.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9346 -1.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3331 -1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2551 2.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4580 2.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3331 1.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9346 2.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8517 -0.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9196 -3.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3565 -2.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7365 -2.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6378 -4.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3565 -3.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1408 -3.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8664 -3.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6699 -1.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0067 3.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0711 0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1073 -4.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9109 -2.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6296 -4.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3831 2.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 5 1 0 0 0 0
2 15 1 0 0 0 0
3 6 1 0 0 0 0
3 18 1 0 0 0 0
3 19 1 0 0 0 0
4 11 1 0 0 0 0
4 17 1 0 0 0 0
4 41 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 12 1 0 0 0 0
7 9 1 0 0 0 0
7 31 1 0 0 0 0
7 32 1 0 0 0 0
8 10 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 13 2 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
14 15 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 17 2 0 0 0 0
16 22 1 0 0 0 0
17 23 1 0 0 0 0
18 43 1 0 0 0 0
18 44 1 0 0 0 0
18 46 1 0 0 0 0
19 42 1 0 0 0 0
19 45 1 0 0 0 0
19 47 1 0 0 0 0
20 24 1 0 0 0 0
20 48 1 0 0 0 0
21 25 2 0 0 0 0
21 49 1 0 0 0 0
22 26 2 0 0 0 0
22 50 1 0 0 0 0
23 28 2 0 0 0 0
23 51 1 0 0 0 0
24 27 2 0 0 0 0
24 52 1 0 0 0 0
25 27 1 0 0 0 0
25 53 1 0 0 0 0
26 28 1 0 0 0 0
27 54 1 0 0 0 0
28 55 1 0 0 0 0
M END
$$$$