D0R2VL
-OEChem-10101305022D
45 48 0 1 0 0 0 0 0999 V2000
6.8671 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9950 0.7990 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.0010 0.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4114 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4114 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9950 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4950 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9950 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4950 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4950 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9950 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4950 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9487 1.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1603 2.1707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1603 -0.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9487 -0.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5776 1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8873 1.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3750 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8050 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1850 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6150 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8050 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 21 1 0 0 0 0
2 26 2 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 10 1 0 0 0 0
4 21 2 0 0 0 0
4 25 1 0 0 0 0
5 26 1 0 0 0 0
5 44 1 0 0 0 0
5 45 1 0 0 0 0
6 8 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
10 13 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 14 2 0 0 0 0
11 33 1 0 0 0 0
12 15 2 0 0 0 0
12 34 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 15 1 0 0 0 0
15 35 1 0 0 0 0
16 18 1 0 0 0 0
16 36 1 0 0 0 0
17 19 2 0 0 0 0
17 37 1 0 0 0 0
18 20 2 0 0 0 0
18 38 1 0 0 0 0
19 20 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 41 1 0 0 0 0
23 24 1 0 0 0 0
23 42 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 43 1 0 0 0 0
M END
$$$$