D04ISG
-OEChem-10101305022D
31 33 0 0 0 0 0 0 0999 V2000
5.4641 -1.2673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 -0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1701 -0.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4003 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5542 0.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
2 13 1 0 0 0 0
2 19 1 0 0 0 0
3 16 1 0 0 0 0
3 18 2 0 0 0 0
4 5 2 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
5 8 1 0 0 0 0
5 12 1 0 0 0 0
6 7 2 0 0 0 0
6 9 1 0 0 0 0
6 11 1 0 0 0 0
8 9 2 0 0 0 0
8 20 1 0 0 0 0
9 21 1 0 0 0 0
10 13 2 0 0 0 0
10 22 1 0 0 0 0
11 15 1 0 0 0 0
11 16 2 0 0 0 0
12 14 2 0 0 0 0
12 23 1 0 0 0 0
13 14 1 0 0 0 0
14 24 1 0 0 0 0
15 17 2 0 0 0 0
15 25 1 0 0 0 0
16 26 1 0 0 0 0
17 18 1 0 0 0 0
17 27 1 0 0 0 0
18 28 1 0 0 0 0
19 29 1 0 0 0 0
19 30 1 0 0 0 0
19 31 1 0 0 0 0
M END
$$$$