L2C3NB
-OEChem-05022323202D
41 41 0 0 0 0 0 0 0999 V2000
7.7331 -1.9050 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2331 -2.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2331 -1.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 -4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9231 -3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 17 1 0 0 0 0
3 16 1 0 0 0 0
3 38 1 0 0 0 0
4 22 1 0 0 0 0
4 39 1 0 0 0 0
5 22 2 0 0 0 0
6 40 1 0 0 0 0
7 41 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 27 1 0 0 0 0
10 19 2 0 0 0 0
10 20 1 0 0 0 0
11 12 1 0 0 0 0
11 23 1 0 0 0 0
11 24 1 0 0 0 0
12 14 1 0 0 0 0
12 16 2 0 0 0 0
13 15 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
14 17 1 0 0 0 0
14 20 2 0 0 0 0
15 18 1 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
16 19 1 0 0 0 0
17 30 1 0 0 0 0
17 31 1 0 0 0 0
18 22 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
19 21 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
M END
$$$$