BJEC27
-OEChem-04012113252D
46 48 0 0 0 0 0 0 0999 V2000
6.8671 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6002 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6002 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
2 19 2 0 0 0 0
3 29 1 0 0 0 0
3 44 1 0 0 0 0
4 30 1 0 0 0 0
4 45 1 0 0 0 0
5 29 2 0 0 0 0
6 30 2 0 0 0 0
7 31 1 0 0 0 0
7 46 1 0 0 0 0
8 31 2 0 0 0 0
9 10 1 0 0 0 0
9 19 1 0 0 0 0
9 32 1 0 0 0 0
10 11 1 0 0 0 0
10 17 2 0 0 0 0
11 18 2 0 0 0 0
12 15 2 0 0 0 0
12 20 1 0 0 0 0
13 19 1 0 0 0 0
13 22 2 0 0 0 0
13 25 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
14 29 1 0 0 0 0
15 33 1 0 0 0 0
16 21 1 0 0 0 0
16 30 1 0 0 0 0
17 23 1 0 0 0 0
17 34 1 0 0 0 0
18 24 1 0 0 0 0
18 35 1 0 0 0 0
20 21 2 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 26 1 0 0 0 0
22 38 1 0 0 0 0
23 24 2 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
25 27 2 0 0 0 0
25 41 1 0 0 0 0
26 28 2 0 0 0 0
26 31 1 0 0 0 0
27 28 1 0 0 0 0
27 42 1 0 0 0 0
28 43 1 0 0 0 0
M END
$$$$