BW0SJ1
-OEChem-04012113062D
43 46 0 0 0 0 0 0 0999 V2000
3.0000 1.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 -2.0823 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 -3.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 -2.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 -3.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6622 -2.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6013 -3.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8644 -4.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1356 -4.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3743 -4.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 -1.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 2.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 2.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9150 -3.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0480 -1.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 4.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 8 1 0 0 0 0
1 16 1 0 0 0 0
2 26 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
6 9 2 0 0 0 0
6 10 1 0 0 0 0
7 13 1 0 0 0 0
7 15 2 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
10 12 2 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 17 2 0 0 0 0
14 32 1 0 0 0 0
15 17 1 0 0 0 0
15 33 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 34 1 0 0 0 0
18 22 1 0 0 0 0
18 35 1 0 0 0 0
19 23 2 0 0 0 0
19 36 1 0 0 0 0
20 24 1 0 0 0 0
20 37 1 0 0 0 0
21 25 2 0 0 0 0
21 38 1 0 0 0 0
22 26 2 0 0 0 0
22 39 1 0 0 0 0
23 26 1 0 0 0 0
23 40 1 0 0 0 0
24 27 2 0 0 0 0
24 41 1 0 0 0 0
25 27 1 0 0 0 0
25 42 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$