L2C3NB
-OEChem-05022323303D
41 41 0 0 0 0 0 0 0999 V2000
-2.0912 -3.5865 0.2365 P 0 0 0 0 0 0 0 0 0 0 0 0
-2.3346 -1.9893 0.2804 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9268 3.2433 1.2458 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1709 -0.3405 0.2221 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9480 0.4845 -1.5050 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5507 -3.9756 -1.2644 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4814 -3.7297 0.1816 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7677 -4.3634 1.3279 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1139 0.7134 0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6043 2.0652 -0.9333 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0614 0.5536 0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3051 1.0818 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3038 0.1882 0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0760 0.2436 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5338 0.3914 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6693 2.4055 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7244 -1.1860 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8108 -0.1382 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 2.8461 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2100 0.7809 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2677 4.2627 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0112 0.0490 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1975 -0.4947 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0886 1.0791 1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1790 -0.8827 0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4628 0.6956 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2535 1.7017 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3757 -0.1108 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6571 1.4596 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6441 -1.3541 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1001 -1.5005 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9980 0.3936 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7080 -1.2083 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8612 0.1808 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5112 4.9541 -0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1911 4.4434 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4752 4.4890 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3125 4.1324 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9397 -0.2236 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5851 -4.9220 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0833 -4.6256 0.2116 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
$$$$