LDMQ95
-OEChem-05022322372D
46 48 0 0 0 0 0 0 0999 V2000
2.0000 0.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5884 -0.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 0.1980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 2.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 0.2085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4602 0.6985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3243 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8579 -0.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1286 1.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3315 1.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 1.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 1.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4626 1.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0123 -0.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8601 -0.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6364 0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 24 1 0 0 0 0
2 19 1 0 0 0 0
2 25 1 0 0 0 0
3 23 2 0 0 0 0
4 10 2 0 0 0 0
4 18 1 0 0 0 0
5 12 2 0 0 0 0
5 21 1 0 0 0 0
6 18 1 0 0 0 0
6 22 1 0 0 0 0
6 34 1 0 0 0 0
7 23 1 0 0 0 0
7 26 1 0 0 0 0
7 40 1 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
8 13 1 0 0 0 0
9 15 2 0 0 0 0
9 16 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
11 27 1 0 0 0 0
12 14 1 0 0 0 0
13 14 2 0 0 0 0
13 28 1 0 0 0 0
14 29 1 0 0 0 0
15 17 1 0 0 0 0
15 30 1 0 0 0 0
16 20 2 0 0 0 0
16 31 1 0 0 0 0
17 19 2 0 0 0 0
18 21 2 0 0 0 0
19 20 1 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
22 23 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
24 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
M END
$$$$