BD2H0Q
-OEChem-04022101452D
45 49 0 0 0 0 0 0 0999 V2000
3.3311 -2.7140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.8988 3.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6979 -1.7117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3687 0.3719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7194 -1.5055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3074 -1.7117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0027 -2.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1287 1.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3687 3.3719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4642 -2.2155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5027 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5027 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3687 1.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0086 -2.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2347 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0516 -2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3408 -3.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2347 2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3622 -3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5027 1.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0731 -2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1287 3.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5027 2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6648 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0347 2.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0347 1.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6704 -1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7668 2.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2906 0.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8921 -0.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9056 0.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5334 -3.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9482 -3.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9657 1.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1215 4.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9657 3.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9738 -0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5705 1.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4600 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5843 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 -0.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4588 2.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3049 2.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0747 3.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 21 1 0 0 0 0
2 25 1 0 0 0 0
2 29 1 0 0 0 0
3 5 1 0 0 0 0
3 12 1 0 0 0 0
3 14 1 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
4 32 1 0 0 0 0
5 16 2 0 0 0 0
6 7 1 0 0 0 0
6 12 2 0 0 0 0
7 14 2 0 0 0 0
8 15 1 0 0 0 0
8 26 2 0 0 0 0
9 18 2 0 0 0 0
9 23 1 0 0 0 0
10 27 2 0 0 0 0
11 12 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
13 15 2 0 0 0 0
13 20 1 0 0 0 0
14 17 1 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
16 21 1 0 0 0 0
17 19 2 0 0 0 0
17 33 1 0 0 0 0
18 22 1 0 0 0 0
19 34 1 0 0 0 0
20 23 2 0 0 0 0
20 35 1 0 0 0 0
21 24 2 0 0 0 0
22 25 2 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
24 27 1 0 0 0 0
24 38 1 0 0 0 0
25 26 1 0 0 0 0
26 39 1 0 0 0 0
27 28 1 0 0 0 0
28 40 1 0 0 0 0
28 41 1 0 0 0 0
28 42 1 0 0 0 0
29 43 1 0 0 0 0
29 44 1 0 0 0 0
29 45 1 0 0 0 0
M END
$$$$