LC85VK
-OEChem-05022322382D
35 36 0 1 0 0 0 0 0999 V2000
4.2213 2.2102 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5522 2.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8904 1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.0466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.4534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.5411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5827 0.5466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9644 2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -2.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3177 2.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1026 0.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -0.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 0.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3793 2.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4252 3.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5496 3.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 -1.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4908 -1.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -0.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8708 -0.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 -2.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -3.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
6 1 1 6 0 0 0
1 11 1 0 0 0 0
7 4 1 6 0 0 0
4 12 1 0 0 0 0
4 26 1 0 0 0 0
5 13 1 0 0 0 0
5 17 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 18 1 0 0 0 0
7 9 1 0 0 0 0
7 19 1 0 0 0 0
8 10 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 10 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
14 16 2 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 17 1 0 0 0 0
16 34 1 0 0 0 0
17 35 1 0 0 0 0
M END
$$$$