B59HCU
-OEChem-04042102533D
28 28 0 0 0 0 0 0 0999 V2000
-5.4404 -0.9535 0.6793 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3335 -0.9401 1.3614 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6496 0.2891 -0.5310 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5986 1.5467 0.4167 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3004 -2.2510 -1.3121 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 0.4191 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4666 0.6758 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6964 -0.1351 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4860 1.1018 -1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3245 -0.0068 1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1141 1.2301 -1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 0.8101 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5511 -0.3627 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 -0.0674 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9488 -0.2961 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2732 0.2115 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5485 -1.2716 -0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2297 -0.6779 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9254 1.5382 -2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1147 -0.4433 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4895 1.7654 -1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0099 0.7158 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1396 1.6921 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9792 -0.7894 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6448 -0.8026 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2575 0.7477 -0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9661 2.2999 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5379 1.8318 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 13 2 0 0 0 0
3 6 1 0 0 0 0
3 13 1 0 0 0 0
3 22 1 0 0 0 0
4 16 1 0 0 0 0
4 27 1 0 0 0 0
4 28 1 0 0 0 0
5 17 3 0 0 0 0
6 8 2 0 0 0 0
6 9 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
8 10 1 0 0 0 0
8 18 1 0 0 0 0
9 11 2 0 0 0 0
9 19 1 0 0 0 0
10 20 1 0 0 0 0
11 21 1 0 0 0 0
12 14 2 0 0 0 0
12 23 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
M END
$$$$