B4NLI7
-OEChem-04022109582D
50 53 0 1 0 0 0 0 0999 V2000
4.5981 -1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 -1.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 6.3170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 6.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 4.9510 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 5.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -2.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7026 -1.1885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1808 -1.8466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6808 -0.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5116 -2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5200 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5716 -2.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4220 -3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6405 -3.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 4.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 4.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 16 1 0 0 0 0
3 20 1 0 0 0 0
4 28 1 0 0 0 0
5 36 1 0 0 0 0
6 36 1 0 0 0 0
7 36 1 0 0 0 0
15 8 1 1 0 0 0
8 39 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 12 1 0 0 0 0
10 17 1 0 0 0 0
10 27 1 0 0 0 0
11 19 2 0 0 0 0
11 29 1 0 0 0 0
12 14 2 0 0 0 0
13 14 1 0 0 0 0
13 27 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 22 1 0 0 0 0
20 23 1 0 0 0 0
21 24 2 0 0 0 0
21 40 1 0 0 0 0
22 26 2 0 0 0 0
22 41 1 0 0 0 0
23 28 2 0 0 0 0
23 42 1 0 0 0 0
24 28 1 0 0 0 0
24 43 1 0 0 0 0
25 26 1 0 0 0 0
25 29 2 0 0 0 0
25 30 1 0 0 0 0
26 44 1 0 0 0 0
27 45 1 0 0 0 0
29 46 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
31 33 1 0 0 0 0
31 47 1 0 0 0 0
32 34 2 0 0 0 0
32 48 1 0 0 0 0
33 35 2 0 0 0 0
33 49 1 0 0 0 0
34 35 1 0 0 0 0
34 50 1 0 0 0 0
M END
$$$$