B6S4GT
-OEChem-04022117013D
28 28 0 0 0 0 0 0 0999 V2000
2.8831 -1.3093 -0.0111 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8179 -0.0299 0.0035 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.3289 0.3243 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6296 1.2623 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1220 -0.8663 1.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2204 -0.8406 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5657 -0.6929 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0311 1.6482 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9173 -0.3483 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1688 -2.1350 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3204 1.9928 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2946 0.9946 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4373 1.8236 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4548 1.8228 -0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6904 0.9817 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4535 -0.5780 2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1497 -0.6368 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1007 -1.9372 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3291 -1.9030 -1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2079 -0.4989 -1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5076 -0.6563 -2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7054 2.4918 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0549 -2.7659 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1998 -2.4698 0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4567 -2.4358 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6163 3.0381 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3438 1.2777 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7567 -0.8818 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 28 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
3 7 2 0 0 0 0
3 8 1 0 0 0 0
4 13 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
5 16 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
8 11 2 0 0 0 0
8 22 1 0 0 0 0
9 12 2 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 12 1 0 0 0 0
11 26 1 0 0 0 0
12 27 1 0 0 0 0
M CHG 1 2 1
M END
$$$$