BOW6R3
-OEChem-04022103192D
50 53 0 1 0 0 0 0 0999 V2000
8.7224 -2.1562 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3604 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.6382 -1.3397 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9266 -3.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5183 -1.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 1.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3717 -1.0386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7435 -2.3604 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.0772 -1.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0567 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3717 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0627 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4308 -3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6868 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7014 -1.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3676 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0140 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3466 -2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9930 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6592 -1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8822 -2.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5267 -2.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2830 -2.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9473 -0.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7783 -0.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2186 0.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4565 0.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4823 1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0838 2.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8419 -3.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2369 -3.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0197 -3.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 -2.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 0.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7384 -0.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1738 -3.2867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6010 -0.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7596 -2.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1868 -0.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4688 3.3102 0.0000 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 9 1 0 0 0 0
1 22 1 0 0 0 0
2 23 1 0 0 0 0
3 30 1 0 0 0 0
6 25 1 0 0 0 0
6 50 1 0 0 0 0
7 25 2 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
8 16 1 0 0 0 0
10 9 1 1 0 0 0
9 19 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 14 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
16 17 2 0 0 0 0
16 20 1 0 0 0 0
17 21 1 0 0 0 0
18 25 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
20 23 2 0 0 0 0
20 43 1 0 0 0 0
21 24 2 0 0 0 0
21 44 1 0 0 0 0
22 26 2 0 0 0 0
22 27 1 0 0 0 0
23 24 1 0 0 0 0
24 45 1 0 0 0 0
26 28 1 0 0 0 0
26 46 1 0 0 0 0
27 29 2 0 0 0 0
27 47 1 0 0 0 0
28 30 2 0 0 0 0
28 48 1 0 0 0 0
29 30 1 0 0 0 0
29 49 1 0 0 0 0
M END
$$$$