BIWC69
-OEChem-04022108312D
41 43 0 0 0 0 0 0 0999 V2000
8.7224 -1.0730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2916 -2.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4681 -0.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9767 -1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6452 -0.3273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8507 1.7876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3887 -1.8187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3507 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0417 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0263 1.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6657 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3507 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3233 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6597 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0356 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0562 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6751 1.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9789 -1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3780 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3676 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0339 -2.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2659 2.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5039 1.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4394 -1.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1957 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9441 1.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7752 0.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8507 2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8372 -1.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8599 2.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9840 0.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1266 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3931 -0.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8734 -1.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1948 -2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8947 -1.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1376 -1.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5715 -2.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4470 -2.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4962 -1.9472 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 7 1 0 0 0 0
1 16 1 0 0 0 0
2 18 2 0 0 0 0
5 11 1 0 0 0 0
5 13 1 0 0 0 0
5 18 1 0 0 0 0
6 9 1 0 0 0 0
6 14 1 0 0 0 0
6 29 1 0 0 0 0
7 21 1 0 0 0 0
7 36 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
9 10 1 0 0 0 0
10 13 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 30 1 0 0 0 0
16 19 1 0 0 0 0
17 19 2 0 0 0 0
17 31 1 0 0 0 0
18 20 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 22 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$