B8ODP7
-OEChem-04022100402D
49 51 0 1 0 0 0 0 0999 V2000
2.8660 0.6909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.3091 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0296 2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3833 2.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.3091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.6909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -0.6138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 0.1909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0511 1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3403 3.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3188 3.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 1.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 0.5832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -1.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -1.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3197 3.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7265 3.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4466 2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9255 3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1909 3.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 24 1 0 0 0 0
3 17 2 0 0 0 0
4 21 1 0 0 0 0
4 27 1 0 0 0 0
5 21 2 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
6 17 1 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
7 19 1 0 0 0 0
8 10 1 0 0 0 0
8 14 2 0 0 0 0
16 9 1 6 0 0 0
9 40 1 0 0 0 0
9 41 1 0 0 0 0
10 19 2 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 14 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 18 1 0 0 0 0
16 37 1 0 0 0 0
18 20 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
19 21 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
22 25 1 0 0 0 0
23 24 2 0 0 0 0
23 42 1 0 0 0 0
24 26 1 0 0 0 0
25 26 2 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
27 28 1 0 0 0 0
27 45 1 0 0 0 0
27 46 1 0 0 0 0
28 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
M END
$$$$