BZOH15
-OEChem-04022105232D
53 55 0 1 0 0 0 0 0999 V2000
4.4839 -5.3238 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.1865 0.1707 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5660 1.3967 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.9836 2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 1.8786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3500 -0.8238 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
8.5714 1.2922 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.4839 0.6762 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5704 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3794 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3500 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9013 1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4839 -1.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2160 -1.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 2.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4839 -2.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0820 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9956 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3500 -2.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6179 -2.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 4.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6647 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1647 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3500 -3.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6179 -3.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4839 -4.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 5.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4515 0.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0688 -0.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8804 -0.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9994 1.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4442 2.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9605 0.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5620 0.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3997 1.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4864 0.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2719 -0.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8734 -1.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8175 -1.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6145 -1.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1245 -1.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8869 -2.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0810 -2.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7449 4.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6616 4.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2813 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8869 -4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0810 -4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2650 4.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1278 5.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2618 5.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0 0 0 0
2 19 1 0 0 0 0
2 25 1 0 0 0 0
3 17 1 0 0 0 0
3 23 1 0 0 0 0
4 17 2 0 0 0 0
5 9 1 0 0 0 0
6 9 2 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
7 17 1 0 0 0 0
8 13 1 0 0 0 0
8 15 1 0 0 0 0
8 16 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 30 1 0 0 0 0
11 14 1 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 35 1 0 0 0 0
13 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 18 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 19 1 0 0 0 0
16 41 1 0 0 0 0
16 42 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 20 2 0 0 0 0
20 24 1 0 0 0 0
20 43 1 0 0 0 0
21 26 1 0 0 0 0
21 44 1 0 0 0 0
22 27 2 0 0 0 0
22 45 1 0 0 0 0
23 29 1 0 0 0 0
23 46 1 0 0 0 0
23 47 1 0 0 0 0
24 25 2 0 0 0 0
24 48 1 0 0 0 0
26 28 2 0 0 0 0
26 49 1 0 0 0 0
27 28 1 0 0 0 0
27 50 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
29 53 1 0 0 0 0
M CHG 2 5 -1 9 1
M END
$$$$