B1SHL3
-OEChem-04022107562D
51 53 0 1 0 0 0 0 0999 V2000
7.4088 2.2058 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1863 3.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0323 2.9877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8104 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 2.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4088 -0.0411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.0824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.8144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 1.0824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.4339 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6313 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 2.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8983 -1.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.9484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9906 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9906 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9427 -1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1208 -2.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2097 -2.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3877 -3.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4322 -3.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6701 1.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 2.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8294 2.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 0.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9677 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2026 -0.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 2.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 -0.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 2.4853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 1.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 0.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 1.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 0.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 0.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8048 -0.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7133 -2.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 3.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6172 -1.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5257 -3.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 2.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9777 -3.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
4 12 2 0 0 0 0
5 17 2 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
7 9 1 0 0 0 0
7 17 1 0 0 0 0
7 32 1 0 0 0 0
19 8 1 6 0 0 0
8 27 1 0 0 0 0
8 45 1 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 13 1 0 0 0 0
11 15 2 0 0 0 0
13 16 2 0 0 0 0
14 18 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 20 1 0 0 0 0
15 35 1 0 0 0 0
16 21 1 0 0 0 0
16 36 1 0 0 0 0
17 19 1 0 0 0 0
18 23 2 0 0 0 0
18 24 1 0 0 0 0
19 22 1 0 0 0 0
19 37 1 0 0 0 0
20 21 2 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
23 25 1 0 0 0 0
23 43 1 0 0 0 0
24 26 2 0 0 0 0
24 44 1 0 0 0 0
25 28 2 0 0 0 0
25 46 1 0 0 0 0
26 28 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
28 51 1 0 0 0 0
M END
$$$$