BIMP09
-OEChem-04012120352D
43 45 0 0 0 0 0 0 0999 V2000
7.7331 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4685 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4685 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9451 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3437 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 7 1 0 0 0 0
2 8 1 0 0 0 0
2 9 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
3 35 1 0 0 0 0
4 5 1 0 0 0 0
4 13 2 0 0 0 0
5 16 2 0 0 0 0
6 14 1 0 0 0 0
6 37 1 0 0 0 0
6 38 1 0 0 0 0
7 10 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 11 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 12 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 36 1 0 0 0 0
16 17 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 39 1 0 0 0 0
19 21 2 0 0 0 0
19 40 1 0 0 0 0
20 22 2 0 0 0 0
20 41 1 0 0 0 0
21 22 1 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
M END
$$$$