B6LN1M
-OEChem-04022106152D
40 42 0 0 0 0 0 0 0999 V2000
6.8100 -3.5684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1920 -3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5010 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 3.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 2.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 2.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 3.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 4.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 3.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 3.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 4.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 -2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 -1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6024 -3.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1366 -5.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8655 -5.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 22 1 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
3 17 1 0 0 0 0
3 38 1 0 0 0 0
4 17 2 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
6 14 1 0 0 0 0
6 18 1 0 0 0 0
6 34 1 0 0 0 0
7 10 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 11 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 15 1 0 0 0 0
12 17 1 0 0 0 0
13 16 2 0 0 0 0
13 31 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
18 19 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 37 1 0 0 0 0
21 22 2 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
M END
$$$$