B0IT9D
-OEChem-04022107182D
39 41 0 1 0 0 0 0 0999 V2000
2.0000 -0.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 -2.2177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 1.7174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -2.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3660 -3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -2.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 -2.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3012 -4.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9725 -3.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7596 -3.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4308 -4.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7470 -2.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 -3.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -1.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -0.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 3.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3509 4.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 1.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 14 2 0 0 0 0
3 7 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
4 33 1 0 0 0 0
5 13 3 0 0 0 0
6 16 1 0 0 0 0
6 23 2 0 0 0 0
7 8 1 0 0 0 0
7 13 1 6 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 10 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 18 2 0 0 0 0
16 17 2 0 0 0 0
17 19 1 0 0 0 0
17 21 1 0 0 0 0
18 20 1 0 0 0 0
18 34 1 0 0 0 0
19 20 2 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 22 2 0 0 0 0
21 37 1 0 0 0 0
22 23 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
M END
$$$$