BKA71V
-OEChem-04012119092D
42 42 0 1 0 0 0 0 0999 V2000
7.0000 2.0976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.3655 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.0000 1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8660 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8660 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2680 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8660 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8923 -0.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5826 0.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6077 1.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9174 1.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1760 1.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4030 2.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5560 2.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4440 2.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5970 2.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8240 1.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 0.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 1.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4030 -0.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5970 -2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5780 -0.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 -0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9580 -1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4030 -2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6900 2.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -3.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 1.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6200 2.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 2.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 18 1 0 0 0 0
1 38 1 0 0 0 0
2 12 3 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 12 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 19 1 0 0 0 0
5 7 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 10 1 0 0 0 0
6 13 2 0 0 0 0
7 11 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
13 16 1 0 0 0 0
13 32 1 0 0 0 0
14 17 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 17 2 0 0 0 0
16 37 1 0 0 0 0
17 39 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
M END
$$$$