B14FJB
-OEChem-04012113272D
40 42 0 0 0 0 0 0 0999 V2000
3.2320 2.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 1.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5192 1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1884 0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8282 2.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1665 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8064 2.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4755 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2181 -0.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 -3.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -3.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3214 2.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1843 3.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3182 3.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9968 0.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4134 3.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5814 0.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9980 3.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0820 2.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 11 1 0 0 0 0
2 4 2 0 0 0 0
3 4 1 0 0 0 0
3 5 2 0 0 0 0
3 6 1 0 0 0 0
4 7 1 0 0 0 0
5 9 1 0 0 0 0
5 13 1 0 0 0 0
6 10 2 0 0 0 0
6 14 1 0 0 0 0
7 11 2 0 0 0 0
7 12 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
8 15 1 0 0 0 0
9 22 1 0 0 0 0
10 23 1 0 0 0 0
11 16 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
14 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 36 1 0 0 0 0
18 20 2 0 0 0 0
18 37 1 0 0 0 0
19 21 2 0 0 0 0
19 38 1 0 0 0 0
20 21 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
M END
$$$$