DT30FV
-OEChem-06062108562D
56 58 0 1 0 0 0 0 0999 V2000
5.5321 -0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -3.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -5.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7894 -5.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 3.5223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.9777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 5.5223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 4.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.4777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1301 5.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -3.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9176 -5.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -3.4777 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 0.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3422 0.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7407 1.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7875 1.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1860 0.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7407 1.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3422 2.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1860 2.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7875 1.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4762 -1.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8747 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7272 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3422 3.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7407 4.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -2.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9181 5.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5196 4.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -1.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -1.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 5.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -1.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -3.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -4.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0646 -6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 22 1 0 0 0 0
2 28 1 0 0 0 0
3 28 1 0 0 0 0
3 55 1 0 0 0 0
4 27 1 0 0 0 0
4 56 1 0 0 0 0
5 27 2 0 0 0 0
6 10 1 0 0 0 0
6 17 1 0 0 0 0
6 41 1 0 0 0 0
7 16 1 0 0 0 0
18 7 1 6 0 0 0
7 45 1 0 0 0 0
8 19 1 0 0 0 0
8 50 1 0 0 0 0
8 51 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 15 1 0 0 0 0
9 29 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 0 0 0 0
10 30 1 0 0 0 0
11 13 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 14 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 16 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
17 19 1 0 0 0 0
17 42 1 0 0 0 0
17 43 1 0 0 0 0
18 20 1 0 0 0 0
18 28 1 0 0 0 0
18 44 1 0 0 0 0
19 46 1 0 0 0 0
19 47 1 0 0 0 0
20 21 1 0 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
23 52 1 0 0 0 0
24 26 2 0 0 0 0
24 27 1 0 0 0 0
25 26 1 0 0 0 0
25 53 1 0 0 0 0
26 54 1 0 0 0 0
M END
$$$$