B7DV5T
-OEChem-04022101342D
51 52 0 1 0 0 0 0 0999 V2000
4.9338 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
10.2278 8.7039 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.8677 7.4427 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9666 8.0641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 6.4982 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 2.4982 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.4982 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 3.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9282 5.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 6.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 5.1934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1901 5.9982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 3.9982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 4.9982 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.9282 6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 5.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 6.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 4.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 5.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 6.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 4.9982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6602 3.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 5.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9171 7.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 4.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 5.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 3.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 3.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 4.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 3.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2573 4.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7162 7.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3176 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1928 7.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3957 7.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1836 4.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5822 3.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5947 5.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7976 5.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 4.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3503 2.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1972 3.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9702 4.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8626 5.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0656 5.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 3.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 3.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 3.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 5.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9338 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 51 1 0 0 0 0
2 25 1 0 0 0 0
3 25 1 0 0 0 0
4 25 1 0 0 0 0
5 27 1 0 0 0 0
6 29 1 0 0 0 0
7 31 1 0 0 0 0
8 19 2 0 0 0 0
9 14 1 0 0 0 0
9 15 1 0 0 0 0
9 19 1 0 0 0 0
10 16 1 0 0 0 0
10 17 1 0 0 0 0
10 21 1 0 0 0 0
11 12 1 0 0 0 0
11 16 2 0 0 0 0
12 21 2 0 0 0 0
22 13 1 6 0 0 0
13 47 1 0 0 0 0
13 48 1 0 0 0 0
14 16 1 0 0 0 0
14 18 1 0 0 0 0
14 32 1 0 0 0 0
15 17 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
18 23 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
19 20 1 0 0 0 0
20 22 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 25 1 0 0 0 0
22 24 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
24 26 1 0 0 0 0
24 45 1 0 0 0 0
24 46 1 0 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
27 30 2 0 0 0 0
28 29 1 0 0 0 0
28 49 1 0 0 0 0
29 31 2 0 0 0 0
30 31 1 0 0 0 0
30 50 1 0 0 0 0
M END
$$$$