B6ZVY3
-OEChem-04022109142D
68 72 0 1 0 0 0 0 0999 V2000
7.4088 -1.2350 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.8104 1.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8050 -2.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4088 1.0120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0730 -2.1461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.8435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8985 -5.6559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.1115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6313 1.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 0.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 -0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8983 2.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1208 3.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 -1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.9775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9427 2.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3877 4.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9906 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9906 0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1208 3.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2097 3.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4322 4.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6038 5.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3604 4.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5968 5.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9332 -2.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9216 -3.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7818 -4.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0499 -4.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7703 -5.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0383 -5.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6701 -0.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2026 1.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9677 2.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8294 -1.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 -1.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 0.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 1.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8800 -0.9775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8048 1.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 -0.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 0.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5704 3.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6172 2.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9777 4.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5325 -2.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1445 5.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 0.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 -0.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -2.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9535 5.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7324 6.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -1.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3223 -3.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5166 -3.8298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3036 -5.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4978 -5.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 15 1 0 0 0 0
2 12 2 0 0 0 0
3 20 2 0 0 0 0
4 33 2 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
10 6 1 6 0 0 0
6 20 1 0 0 0 0
6 45 1 0 0 0 0
7 18 1 0 0 0 0
7 33 1 0 0 0 0
7 54 1 0 0 0 0
21 8 1 1 0 0 0
8 34 1 0 0 0 0
8 59 1 0 0 0 0
9 38 2 0 0 0 0
9 39 1 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
10 40 1 0 0 0 0
11 16 1 0 0 0 0
11 41 1 0 0 0 0
11 42 1 0 0 0 0
13 15 1 0 0 0 0
13 19 2 0 0 0 0
14 43 1 0 0 0 0
14 44 1 0 0 0 0
15 18 2 0 0 0 0
16 17 1 0 0 0 0
16 22 2 0 0 0 0
17 23 1 0 0 0 0
17 26 2 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
19 46 1 0 0 0 0
20 21 1 0 0 0 0
21 30 1 0 0 0 0
21 47 1 0 0 0 0
22 27 1 0 0 0 0
22 48 1 0 0 0 0
23 28 1 0 0 0 0
23 29 2 0 0 0 0
24 25 2 0 0 0 0
24 49 1 0 0 0 0
25 50 1 0 0 0 0
26 31 1 0 0 0 0
26 51 1 0 0 0 0
27 28 2 0 0 0 0
27 52 1 0 0 0 0
28 53 1 0 0 0 0
29 32 1 0 0 0 0
29 55 1 0 0 0 0
30 56 1 0 0 0 0
30 57 1 0 0 0 0
30 58 1 0 0 0 0
31 32 2 0 0 0 0
31 60 1 0 0 0 0
32 61 1 0 0 0 0
33 35 1 0 0 0 0
34 62 1 0 0 0 0
34 63 1 0 0 0 0
34 64 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
36 38 1 0 0 0 0
36 65 1 0 0 0 0
37 39 2 0 0 0 0
37 66 1 0 0 0 0
38 67 1 0 0 0 0
39 68 1 0 0 0 0
M END
$$$$