B9WN5C
-OEChem-04022107022D
41 42 0 1 0 0 0 0 0999 V2000
4.1419 -0.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8740 -2.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2759 1.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0171 2.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0512 1.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1419 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0080 -0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0080 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8740 -0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2041 0.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7400 -0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0702 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3381 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1419 -2.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7400 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9362 0.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6060 -0.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4721 0.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1950 0.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6160 2.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8566 2.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8907 2.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4523 1.8137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7525 0.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3540 1.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8740 0.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8056 -0.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6027 -0.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4687 1.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6716 1.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7366 1.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9396 1.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 -1.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6050 -2.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4520 -2.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2770 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6262 -0.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4731 -0.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2462 0.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 4 1 0 0 0 0
2 6 1 0 0 0 0
2 25 1 0 0 0 0
3 9 1 0 0 0 0
3 16 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 1 0 0 0
4 20 1 0 0 0 0
5 6 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 15 1 0 0 0 0
10 12 2 0 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 16 1 0 0 0 0
12 18 1 0 0 0 0
13 17 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 19 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 19 3 0 0 0 0
M END
$$$$