BHSG50
-OEChem-04012119272D
56 60 0 1 0 0 0 0 0999 V2000
4.4487 0.2185 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 3.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -0.6475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1682 -3.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 0.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -0.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.7185 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -1.5862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.7130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 2.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2177 -3.3616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.1808 -1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9620 -4.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -2.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2392 -3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 4.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -3.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9285 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -3.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9500 -1.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 1.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -0.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 1.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 2.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1842 -2.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6343 -4.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5372 -4.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -2.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -3.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 3.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 4.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 4.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7639 -4.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3426 -1.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1788 -4.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7574 -1.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 8 1 0 0 0 0
1 15 1 0 0 0 0
2 14 1 0 0 0 0
2 28 1 0 0 0 0
5 20 1 0 0 0 0
5 22 1 0 0 0 0
6 25 2 0 0 0 0
7 26 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 19 1 0 0 0 0
9 23 1 0 0 0 0
9 26 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 1 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 13 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 40 1 0 0 0 0
14 41 1 0 0 0 0
15 16 2 0 0 0 0
15 18 1 0 0 0 0
16 17 1 0 0 0 0
16 42 1 0 0 0 0
17 19 2 0 0 0 0
17 25 1 0 0 0 0
18 21 2 0 0 0 0
18 43 1 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 24 1 0 0 0 0
20 44 1 0 0 0 0
21 45 1 0 0 0 0
22 46 1 0 0 0 0
22 47 1 0 0 0 0
23 27 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
24 29 2 0 0 0 0
24 30 1 0 0 0 0
25 26 1 0 0 0 0
27 31 2 0 0 0 0
27 32 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
28 52 1 0 0 0 0
29 31 1 0 0 0 0
29 53 1 0 0 0 0
30 32 2 0 0 0 0
30 54 1 0 0 0 0
31 55 1 0 0 0 0
32 56 1 0 0 0 0
M END
$$$$