BBC0W2
-OEChem-04022106103D
26 27 0 0 0 0 0 0 0999 V2000
0.6997 -1.5452 -0.0253 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3687 2.5171 0.0514 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5340 -0.0605 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7766 0.5846 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7429 -0.8149 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3856 1.1237 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3265 -1.2849 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1761 -0.0272 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 1.1634 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3638 -1.0599 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9046 1.3811 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 0.2077 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3662 -2.1850 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9196 0.5269 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5734 1.2054 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8901 -0.7645 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5076 -1.4741 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1111 1.8698 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3721 1.5840 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0122 -2.0206 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2909 -1.7401 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1016 2.1003 0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8551 0.4309 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2449 -2.8300 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3996 -1.8206 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2395 -2.7952 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 10 1 0 0 0 0
2 11 2 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
5 7 1 0 0 0 0
5 16 1 0 0 0 0
5 17 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 9 2 0 0 0 0
9 11 1 0 0 0 0
9 22 1 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
11 12 1 0 0 0 0
12 23 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
M END
$$$$