B85AIS
-OEChem-04022118543D
28 30 0 0 0 0 0 0 0999 V2000
-2.6116 2.5478 -1.1018 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6037 -2.7824 0.1148 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0394 0.2437 1.0168 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8993 -0.2644 -1.1424 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6383 1.1435 -0.3716 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6348 -1.2059 0.1652 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0596 0.6204 2.5796 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3353 0.1370 0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2212 -0.1807 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2191 -0.0045 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5599 0.2866 1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1667 0.0513 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3879 -0.3635 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7109 0.1010 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1497 -0.1792 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6287 -0.2183 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5921 -0.1181 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3149 1.0512 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3115 -1.2261 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6922 0.3666 1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2266 -0.0061 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7676 0.4676 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6212 0.5345 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3346 -0.6118 -2.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8758 -0.4252 -1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6877 0.2075 0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5410 -0.3565 -1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2892 0.0390 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
3 8 1 0 0 0 0
3 10 1 0 0 0 0
3 22 1 0 0 0 0
4 9 1 0 0 0 0
4 10 2 0 0 0 0
5 18 2 0 0 0 0
5 21 1 0 0 0 0
6 19 1 0 0 0 0
6 21 2 0 0 0 0
7 20 3 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
9 13 2 0 0 0 0
10 12 1 0 0 0 0
11 14 1 0 0 0 0
11 23 1 0 0 0 0
12 15 2 0 0 0 0
12 20 1 0 0 0 0
13 16 1 0 0 0 0
13 24 1 0 0 0 0
14 16 2 0 0 0 0
14 26 1 0 0 0 0
15 17 1 0 0 0 0
15 25 1 0 0 0 0
16 27 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
21 28 1 0 0 0 0
M END
$$$$