BEB40F
-OEChem-04012120072D
44 45 0 1 0 0 0 0 0999 V2000
3.7208 3.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4608 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9529 0.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3086 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 0.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 -1.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 1.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0868 -0.6739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9529 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8189 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0298 2.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4118 2.4139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.0868 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7208 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6849 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8189 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3548 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0868 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3548 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0868 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6684 1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0868 -1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5544 -1.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3514 -1.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8189 -1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3398 1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5962 2.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3148 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6839 0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6839 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3749 -1.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2219 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9949 -0.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4389 0.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8189 0.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1989 0.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8179 -2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6238 -2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8179 -3.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6238 -3.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 -4.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 14 1 0 0 0 0
2 12 1 0 0 0 0
2 39 1 0 0 0 0
3 13 2 0 0 0 0
4 14 2 0 0 0 0
7 5 1 6 0 0 0
5 13 1 0 0 0 0
5 31 1 0 0 0 0
8 6 1 6 0 0 0
6 17 1 0 0 0 0
6 32 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 23 1 0 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
8 24 1 0 0 0 0
9 10 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 15 1 0 0 0 0
10 16 1 0 0 0 0
10 27 1 0 0 0 0
11 14 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 40 1 0 0 0 0
19 21 2 0 0 0 0
19 41 1 0 0 0 0
20 22 2 0 0 0 0
20 42 1 0 0 0 0
21 22 1 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
M END
$$$$