BJAG19
-OEChem-04012112342D
48 50 0 0 0 0 0 0 0999 V2000
8.0622 -3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.0622 2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 21 1 0 0 0 0
3 21 1 0 0 0 0
4 21 1 0 0 0 0
5 17 2 0 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
6 42 1 0 0 0 0
7 19 2 0 0 0 0
7 22 1 0 0 0 0
8 20 1 0 0 0 0
8 22 2 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
9 44 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 16 1 0 0 0 0
10 29 1 0 0 0 0
11 13 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 14 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 15 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 40 1 0 0 0 0
16 41 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
19 21 1 0 0 0 0
20 43 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
24 45 1 0 0 0 0
25 27 2 0 0 0 0
25 46 1 0 0 0 0
26 28 2 0 0 0 0
27 28 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
M END
$$$$