BJM3H2
-OEChem-04022106312D
49 53 0 0 0 0 0 0 0999 V2000
2.0000 0.3475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9875 -0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 2.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.5794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6636 0.9861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -0.4206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 -0.4151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5711 0.0794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 -0.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9875 0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -2.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 1.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2982 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1989 2.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5047 2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -2.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -3.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9910 3.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2968 3.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0399 3.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8418 1.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0447 1.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3873 -2.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7859 -1.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8875 1.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4908 2.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7089 2.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2424 -1.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -1.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8462 -3.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7885 2.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0439 1.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0403 -2.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -4.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4517 4.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7071 3.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0403 -3.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9110 4.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 2 0 0 0 0
2 8 1 0 0 0 0
2 13 1 0 0 0 0
3 15 2 0 0 0 0
4 6 1 0 0 0 0
4 10 1 0 0 0 0
4 15 1 0 0 0 0
5 16 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 11 2 0 0 0 0
7 9 1 0 0 0 0
7 16 2 0 0 0 0
8 17 2 0 0 0 0
9 20 1 0 0 0 0
9 39 1 0 0 0 0
10 16 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
12 13 2 0 0 0 0
12 15 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
17 21 1 0 0 0 0
18 22 2 0 0 0 0
18 23 1 0 0 0 0
19 24 2 0 0 0 0
19 25 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 26 1 0 0 0 0
22 40 1 0 0 0 0
23 27 2 0 0 0 0
23 41 1 0 0 0 0
24 28 1 0 0 0 0
24 42 1 0 0 0 0
25 29 2 0 0 0 0
25 43 1 0 0 0 0
26 30 2 0 0 0 0
26 44 1 0 0 0 0
27 30 1 0 0 0 0
27 45 1 0 0 0 0
28 31 2 0 0 0 0
28 46 1 0 0 0 0
29 31 1 0 0 0 0
29 47 1 0 0 0 0
30 48 1 0 0 0 0
31 49 1 0 0 0 0
M END
$$$$