B8AC1J
-OEChem-04022106122D
50 52 0 1 0 0 0 0 0999 V2000
2.7431 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -3.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -3.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 0.9816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 1.5694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4442 3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5474 1.5694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.8564 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8564 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0320 4.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6352 3.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2532 2.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4374 -0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -3.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4504 0.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9212 3.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2499 2.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5336 3.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3964 4.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5304 4.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9996 4.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1336 4.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2707 3.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8888 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7548 2.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6176 3.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8492 -0.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9821 2.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9534 -0.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 -0.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3084 -0.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4414 2.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9534 -1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 -1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 1.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -4.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 26 1 0 0 0 0
2 25 1 0 0 0 0
2 50 1 0 0 0 0
3 25 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 14 1 0 0 0 0
5 9 2 0 0 0 0
6 9 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 27 1 0 0 0 0
8 9 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
15 39 1 0 0 0 0
16 20 2 0 0 0 0
16 40 1 0 0 0 0
17 22 1 0 0 0 0
17 41 1 0 0 0 0
18 23 2 0 0 0 0
18 42 1 0 0 0 0
19 21 2 0 0 0 0
19 43 1 0 0 0 0
20 21 1 0 0 0 0
20 44 1 0 0 0 0
22 24 2 0 0 0 0
22 45 1 0 0 0 0
23 24 1 0 0 0 0
23 46 1 0 0 0 0
24 25 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
$$$$