B79DKV
-OEChem-04012120372D
54 55 0 1 0 0 0 0 0999 V2000
2.0000 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2573 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2617 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0588 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5822 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1836 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7383 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1369 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0588 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2617 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1369 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7383 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 26 1 0 0 0 0
3 14 1 0 0 0 0
3 15 1 0 0 0 0
17 4 1 1 0 0 0
4 49 1 0 0 0 0
5 18 2 0 0 0 0
16 6 1 6 0 0 0
6 44 1 0 0 0 0
6 45 1 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
7 46 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 14 1 0 0 0 0
8 27 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 12 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 13 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 13 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 17 1 0 0 0 0
16 42 1 0 0 0 0
17 18 1 0 0 0 0
17 43 1 0 0 0 0
19 20 1 0 0 0 0
19 47 1 0 0 0 0
19 48 1 0 0 0 0
20 21 1 0 0 0 0
20 50 1 0 0 0 0
20 51 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
23 52 1 0 0 0 0
24 26 2 0 0 0 0
24 53 1 0 0 0 0
25 26 1 0 0 0 0
25 54 1 0 0 0 0
M END
$$$$