B9CB4P
-OEChem-04022106122D
48 50 0 1 0 0 0 0 0999 V2000
2.0000 1.0024 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.5352 -0.6449 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
2.7431 0.3333 0.0000 N 0 3 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
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
8.2224 -4.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
2 7 2 0 0 0 0
3 27 1 0 0 0 0
3 48 1 0 0 0 0
4 27 2 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
5 16 1 0 0 0 0
6 11 2 0 0 0 0
7 23 1 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 37 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 21 1 0 0 0 0
17 40 1 0 0 0 0
18 22 2 0 0 0 0
18 41 1 0 0 0 0
19 24 1 0 0 0 0
19 42 1 0 0 0 0
20 25 2 0 0 0 0
20 43 1 0 0 0 0
21 23 2 0 0 0 0
21 44 1 0 0 0 0
22 23 1 0 0 0 0
22 45 1 0 0 0 0
24 26 2 0 0 0 0
24 46 1 0 0 0 0
25 26 1 0 0 0 0
25 47 1 0 0 0 0
26 27 1 0 0 0 0
M CHG 2 1 -1 7 1
M END
$$$$