B3QN4W
-OEChem-04012120142D
46 48 0 1 0 0 0 0 0999 V2000
7.9930 -0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.6218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.1218 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.4782 0.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8030 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6856 2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1808 -1.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1808 -1.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0375 0.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0375 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1666 1.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3052 2.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4395 2.5152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2756 2.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4951 2.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0956 2.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -0.1882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 -2.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8008 -2.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1808 -0.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5608 -1.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1808 -1.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1808 -1.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8008 -1.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1808 -0.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 2.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 1.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 0.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 -0.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 3 1 0 0 0 0
2 15 1 0 0 0 0
2 41 1 0 0 0 0
3 4 1 0 0 0 0
3 19 1 0 0 0 0
4 21 2 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
6 7 2 0 0 0 0
6 13 1 0 0 0 0
7 10 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 10 1 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
10 14 2 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 15 2 0 0 0 0
13 30 1 0 0 0 0
14 15 1 0 0 0 0
14 31 1 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 20 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 21 1 0 0 0 0
20 44 1 0 0 0 0
20 45 1 0 0 0 0
21 46 1 0 0 0 0
M END
$$$$