BWKQ39
-OEChem-04022111343D
38 40 0 1 0 0 0 0 0999 V2000
4.2741 -0.1816 -0.2434 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.3164 2.7996 -0.5385 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3616 1.2029 -1.8020 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9124 0.9094 -0.9674 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8976 -0.7120 0.9608 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3947 1.4348 1.1510 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5032 0.6639 0.4207 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7333 2.8702 0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0295 1.0286 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7745 1.5318 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 -0.8018 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 0.0560 1.5564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6809 1.6295 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6019 -1.7498 1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6627 -1.2082 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6405 0.2852 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9892 -0.3158 1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9864 1.2577 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3677 -3.1042 0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4285 -2.5624 -1.2733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7809 -3.5105 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0806 -1.5233 -1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4989 1.3258 2.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4275 0.7445 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4973 3.2833 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 3.5613 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 -0.4202 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2045 2.3757 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0567 -1.4450 2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 -0.4936 -1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4762 -1.0806 1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4716 1.7304 -1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6408 -3.8422 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9668 -2.8786 -2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5969 -4.5648 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0758 -1.8677 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5338 -2.3330 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5409 -1.1631 -2.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 16 1 0 0 0 0
1 22 1 0 0 0 0
2 8 1 0 0 0 0
2 10 1 0 0 0 0
3 10 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 23 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 24 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 17 1 0 0 0 0
12 27 1 0 0 0 0
13 18 2 0 0 0 0
13 28 1 0 0 0 0
14 19 1 0 0 0 0
14 29 1 0 0 0 0
15 20 2 0 0 0 0
15 30 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 31 1 0 0 0 0
18 32 1 0 0 0 0
19 21 2 0 0 0 0
19 33 1 0 0 0 0
20 21 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
22 37 1 0 0 0 0
22 38 1 0 0 0 0
M END
$$$$