LDP31U
-OEChem-05022323452D
48 51 0 1 0 0 0 0 0999 V2000
12.3671 -1.8992 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.7260 0.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 -0.1238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1424 1.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7260 0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4530 -1.0743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9524 2.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8350 2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4315 -1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7852 -1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0994 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7422 -2.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0779 -0.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7207 -2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3886 -1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8464 -0.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3160 1.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4546 2.4356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5889 2.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4250 2.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6444 3.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2450 2.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3237 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3711 -2.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2467 -2.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9068 0.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3281 -2.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4920 -0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9133 -3.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 10 2 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
4 11 2 0 0 0 0
4 18 1 0 0 0 0
5 16 1 0 0 0 0
5 18 2 0 0 0 0
6 18 1 0 0 0 0
6 24 1 0 0 0 0
6 42 1 0 0 0 0
7 26 1 0 0 0 0
7 28 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
9 11 1 0 0 0 0
9 16 2 0 0 0 0
12 15 1 0 0 0 0
12 17 1 6 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
19 21 1 0 0 0 0
19 40 1 0 0 0 0
20 22 2 0 0 0 0
20 41 1 0 0 0 0
21 23 2 0 0 0 0
21 43 1 0 0 0 0
22 23 1 0 0 0 0
22 44 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
25 27 2 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
27 28 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
M END
$$$$