BGE19I
-OEChem-04022102202D
44 46 0 1 0 0 0 0 0999 V2000
2.8660 -0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8228 0.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4909 1.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9909 0.6949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9909 2.4269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6980 -0.5299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 -0.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9568 0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1980 -1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4909 1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4909 3.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9909 4.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9909 4.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4909 5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4909 5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9909 5.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9909 5.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3205 -1.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 -0.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6610 -1.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5080 -1.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7349 -1.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6109 2.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 3.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 2.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3009 3.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8709 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1109 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6809 6.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3009 6.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9 1 1 1 0 0 0
1 13 1 0 0 0 0
2 10 2 0 0 0 0
3 12 2 0 0 0 0
4 26 1 0 0 0 0
4 44 1 0 0 0 0
5 26 2 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 12 1 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
7 32 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 6 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 18 1 0 0 0 0
15 35 1 0 0 0 0
16 19 2 0 0 0 0
16 36 1 0 0 0 0
17 21 2 0 0 0 0
17 22 1 0 0 0 0
18 20 2 0 0 0 0
18 37 1 0 0 0 0
19 20 1 0 0 0 0
19 38 1 0 0 0 0
20 26 1 0 0 0 0
21 23 1 0 0 0 0
21 39 1 0 0 0 0
22 24 2 0 0 0 0
22 40 1 0 0 0 0
23 25 2 0 0 0 0
23 41 1 0 0 0 0
24 25 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
M END
$$$$