L72WJD
-OEChem-05022323562D
56 60 0 1 0 0 0 0 0999 V2000
3.7320 -0.5554 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5554 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.6279 -2.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -3.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 3.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8958 2.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -1.6894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -3.3601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 2.8106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -1.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6279 -1.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 -2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 2.3106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5443 -1.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 -4.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 3.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3600 2.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3600 4.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 3.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2479 -1.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6279 -1.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0079 -2.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3179 -1.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2249 -0.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -0.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2249 1.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 1.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 2.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7369 -1.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2656 -4.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0476 -4.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4443 -4.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9570 4.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3600 1.6906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3600 4.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2249 4.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7629 4.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0 0 0 0
2 31 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
4 16 2 0 0 0 0
5 29 1 0 0 0 0
5 55 1 0 0 0 0
6 29 2 0 0 0 0
7 10 1 0 0 0 0
7 16 1 0 0 0 0
7 40 1 0 0 0 0
8 18 1 0 0 0 0
8 23 1 0 0 0 0
8 26 1 0 0 0 0
9 33 1 0 0 0 0
9 35 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
14 19 1 0 0 0 0
14 41 1 0 0 0 0
15 20 2 0 0 0 0
15 42 1 0 0 0 0
16 18 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
17 21 1 0 0 0 0
18 22 2 0 0 0 0
19 43 1 0 0 0 0
20 44 1 0 0 0 0
21 25 1 0 0 0 0
21 29 1 6 0 0 0
21 45 1 0 0 0 0
22 24 1 0 0 0 0
22 46 1 0 0 0 0
23 24 2 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
25 32 1 0 0 0 0
25 33 2 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
26 49 1 0 0 0 0
27 30 2 0 0 0 0
27 50 1 0 0 0 0
28 31 2 0 0 0 0
30 31 1 0 0 0 0
30 51 1 0 0 0 0
32 34 2 0 0 0 0
32 52 1 0 0 0 0
33 53 1 0 0 0 0
34 35 1 0 0 0 0
34 54 1 0 0 0 0
35 56 1 0 0 0 0
M END
$$$$