B7RAI4
-OEChem-04022105102D
36 38 0 0 0 0 0 0 0999 V2000
10.9939 2.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 1.4453 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 3.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 3.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1839 3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1839 0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8039 3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8039 0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 8 1 0 0 0 0
2 9 1 0 0 0 0
3 13 1 0 0 0 0
3 18 1 0 0 0 0
4 21 1 0 0 0 0
4 22 1 0 0 0 0
5 21 2 0 0 0 0
6 10 1 0 0 0 0
6 19 2 0 0 0 0
7 13 2 0 0 0 0
7 19 1 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 10 2 0 0 0 0
9 13 1 0 0 0 0
10 11 1 0 0 0 0
11 24 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
14 16 1 0 0 0 0
14 25 1 0 0 0 0
15 17 2 0 0 0 0
15 26 1 0 0 0 0
16 20 2 0 0 0 0
16 29 1 0 0 0 0
17 20 1 0 0 0 0
17 30 1 0 0 0 0
18 21 1 0 0 0 0
18 27 1 0 0 0 0
18 28 1 0 0 0 0
19 31 1 0 0 0 0
22 23 1 0 0 0 0
22 32 1 0 0 0 0
22 33 1 0 0 0 0
23 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
M END
$$$$