B49NGB
-OEChem-04022105062D
77 80 0 1 0 0 0 0 0999 V2000
9.2988 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
15.2988 3.4641 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.4479 11.4133 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0819 10.0472 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.4479 9.6812 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.2988 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2988 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2988 6.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6800 10.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8140 12.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7988 4.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7988 4.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7988 6.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7988 4.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2988 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2988 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2988 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2988 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7988 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2988 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2988 5.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7988 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2988 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 5.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 6.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7988 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 6.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7988 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2988 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 5.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 7.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 6.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2988 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7988 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7988 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7988 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7988 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7988 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2988 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7988 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7988 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2988 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9479 10.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8140 11.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4065 5.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7162 5.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7162 3.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4065 2.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8814 5.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1912 5.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1912 2.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8814 3.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8814 5.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1912 5.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6088 4.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6788 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9642 4.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 4.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 7.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9642 7.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 4.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 7.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1088 3.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1788 4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9188 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4888 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4888 3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4888 2.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1088 0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1088 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6788 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1088 2.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2169 10.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 43 1 0 0 0 0
2 44 1 0 0 0 0
3 45 1 0 0 0 0
4 45 1 0 0 0 0
5 45 1 0 0 0 0
6 19 2 0 0 0 0
7 22 2 0 0 0 0
8 26 2 0 0 0 0
9 46 1 0 0 0 0
9 77 1 0 0 0 0
10 46 2 0 0 0 0
11 15 1 0 0 0 0
11 16 1 0 0 0 0
11 19 1 0 0 0 0
12 17 1 0 0 0 0
12 18 1 0 0 0 0
12 22 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
21 14 1 6 0 0 0
14 65 1 0 0 0 0
14 66 1 0 0 0 0
15 17 1 0 0 0 0
15 47 1 0 0 0 0
15 48 1 0 0 0 0
16 18 1 0 0 0 0
16 49 1 0 0 0 0
16 50 1 0 0 0 0
17 51 1 0 0 0 0
17 52 1 0 0 0 0
18 53 1 0 0 0 0
18 54 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 55 1 0 0 0 0
20 56 1 0 0 0 0
21 26 1 0 0 0 0
21 57 1 0 0 0 0
22 23 1 0 0 0 0
23 29 1 0 0 0 0
23 30 1 0 0 0 0
23 58 1 0 0 0 0
24 27 1 0 0 0 0
24 59 1 0 0 0 0
24 60 1 0 0 0 0
25 28 1 0 0 0 0
25 61 1 0 0 0 0
25 62 1 0 0 0 0
27 28 1 0 0 0 0
27 31 2 0 0 0 0
28 32 2 0 0 0 0
29 35 2 0 0 0 0
29 37 1 0 0 0 0
30 36 2 0 0 0 0
30 38 1 0 0 0 0
31 33 1 0 0 0 0
31 63 1 0 0 0 0
32 34 1 0 0 0 0
32 64 1 0 0 0 0
33 34 2 0 0 0 0
33 67 1 0 0 0 0
34 68 1 0 0 0 0
35 39 1 0 0 0 0
35 69 1 0 0 0 0
36 40 1 0 0 0 0
36 70 1 0 0 0 0
37 41 2 0 0 0 0
37 71 1 0 0 0 0
38 42 2 0 0 0 0
38 72 1 0 0 0 0
39 43 2 0 0 0 0
39 73 1 0 0 0 0
40 44 2 0 0 0 0
40 74 1 0 0 0 0
41 43 1 0 0 0 0
41 75 1 0 0 0 0
42 44 1 0 0 0 0
42 76 1 0 0 0 0
45 46 1 0 0 0 0
M END
$$$$