B49QTX
-OEChem-04022115103D
27 28 0 0 0 0 0 0 0999 V2000
3.7486 -2.3637 -0.9739 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.5478 0.8900 -0.5694 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.6398 -1.3927 1.3820 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7304 2.3320 -0.4537 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 0.2393 -1.8307 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4148 0.1365 0.7148 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1151 0.5303 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7128 -0.6317 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8465 1.4072 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7733 -0.0399 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 -0.9168 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1755 1.1220 0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -0.1943 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2000 -0.3075 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5988 0.4105 -0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9224 -0.1168 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0818 -1.1045 0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1448 -1.3216 -1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4000 2.3144 1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 -0.4641 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7294 1.8160 1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6172 0.4824 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8191 -0.3570 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2881 -1.2469 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2913 1.2079 -1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7184 0.2146 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9766 -1.6698 0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
3 13 1 0 0 0 0
3 17 1 0 0 0 0
6 13 1 0 0 0 0
6 20 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
8 11 1 0 0 0 0
8 18 1 0 0 0 0
9 12 2 0 0 0 0
9 19 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
12 21 1 0 0 0 0
13 15 2 0 0 0 0
14 22 1 0 0 0 0
14 23 1 0 0 0 0
14 24 1 0 0 0 0
15 16 1 0 0 0 0
15 25 1 0 0 0 0
16 17 2 0 0 0 0
16 26 1 0 0 0 0
17 27 1 0 0 0 0
M END
$$$$