B2IJ9K
-OEChem-04022105022D
40 41 0 1 0 0 0 0 0999 V2000
7.1962 -3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 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
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5000 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
7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0588 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2617 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5482 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3082 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 13 1 0 0 0 0
2 37 1 0 0 0 0
3 20 1 0 0 0 0
3 22 1 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
5 10 1 0 0 0 0
5 15 1 0 0 0 0
5 29 1 0 0 0 0
6 12 1 0 0 0 0
6 15 2 0 0 0 0
7 12 2 0 0 0 0
7 21 1 0 0 0 0
8 15 1 0 0 0 0
8 21 2 0 0 0 0
9 13 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 11 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
16 18 1 0 0 0 0
16 33 1 0 0 0 0
17 19 2 0 0 0 0
17 34 1 0 0 0 0
18 20 2 0 0 0 0
18 35 1 0 0 0 0
19 20 1 0 0 0 0
19 36 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
M END
$$$$