BO3D5E
-OEChem-04022104203D
44 46 0 1 0 0 0 0 0999 V2000
0.0822 -0.6961 -0.4326 S 0 0 1 0 0 0 0 0 0 0 0 0
0.1880 -2.1664 -0.2302 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1569 -1.2915 0.6295 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2470 -0.4866 -0.2601 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 -0.1733 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6520 -1.0074 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6994 1.3317 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1824 0.1175 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6259 -0.0764 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2182 -1.8553 1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1604 2.0613 1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1934 -0.9397 -1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4499 1.9757 -0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3322 0.9693 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3260 -2.6354 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3722 3.4352 1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3010 -1.7197 -1.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6617 3.3495 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8674 -2.5676 -0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1229 4.0792 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6519 0.7038 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4531 -1.4255 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4973 1.7738 -1.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0749 -2.7562 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2390 -0.3646 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0131 -0.3042 1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9521 1.1856 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8095 -1.9215 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3601 1.5715 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7668 -0.3004 -1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1046 1.4406 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8834 1.9364 -0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7669 -3.2959 1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7317 4.0033 2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7208 -1.6696 -2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4708 3.8509 -1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7294 -3.1756 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2885 5.1487 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5611 2.6349 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5148 1.4139 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0747 2.0974 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5140 -2.7713 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3285 -3.5538 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8618 -2.9651 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 5 1 0 0 0 0
1 8 1 0 0 0 0
3 9 2 0 0 0 0
3 22 1 0 0 0 0
4 21 1 0 0 0 0
4 22 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 25 1 0 0 0 0
6 10 2 0 0 0 0
6 12 1 0 0 0 0
7 11 2 0 0 0 0
7 13 1 0 0 0 0
8 9 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 14 1 0 0 0 0
10 15 1 0 0 0 0
10 28 1 0 0 0 0
11 16 1 0 0 0 0
11 29 1 0 0 0 0
12 17 2 0 0 0 0
12 30 1 0 0 0 0
13 18 2 0 0 0 0
13 31 1 0 0 0 0
14 21 2 0 0 0 0
14 32 1 0 0 0 0
15 19 2 0 0 0 0
15 33 1 0 0 0 0
16 20 2 0 0 0 0
16 34 1 0 0 0 0
17 19 1 0 0 0 0
17 35 1 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
M END
$$$$