B0HX8R
-OEChem-04022114343D
40 42 0 1 0 0 0 0 0999 V2000
-7.8751 -1.4748 0.8461 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6007 0.4126 -0.0136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7073 1.0229 1.1467 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2364 -0.3537 0.5563 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1950 0.4573 -0.0796 O 0 5 0 0 0 0 0 0 0 0 0 0
7.9990 -1.7457 0.2032 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0589 1.5831 -0.4073 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5934 -0.5811 0.1971 N 0 3 0 0 0 0 0 0 0 0 0 0
-2.7197 -0.6013 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0893 0.6083 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0415 -0.4671 -0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1125 -0.3249 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5131 -0.4078 -0.8227 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2925 1.0455 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7132 0.7071 -0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9362 -1.7729 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 -1.6899 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2391 -1.1172 0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8720 0.0870 -2.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5431 1.6659 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2540 0.4364 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4962 -0.5114 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6437 0.8598 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4040 1.1437 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8620 1.0181 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9249 -1.4215 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2616 1.6682 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8880 2.5622 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3899 -2.7340 0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0318 -2.6015 -0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6357 1.1492 -2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9416 -0.0350 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3227 -0.4776 -2.9994 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1245 -2.1875 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6585 2.7339 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6233 1.3259 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1040 2.1974 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2538 0.7183 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9805 1.4037 -0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4701 1.6016 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 21 1 0 0 0 0
2 24 1 0 0 0 0
3 21 2 0 0 0 0
4 8 1 0 0 0 0
4 25 1 0 0 0 0
5 8 1 0 0 0 0
6 8 2 0 0 0 0
7 10 1 0 0 0 0
7 14 1 0 0 0 0
7 28 1 0 0 0 0
9 10 2 0 0 0 0
9 12 1 0 0 0 0
9 16 1 0 0 0 0
10 15 1 0 0 0 0
11 13 1 0 0 0 0
11 15 2 0 0 0 0
11 17 1 0 0 0 0
12 14 2 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
13 21 1 0 0 0 0
13 26 1 0 0 0 0
14 20 1 0 0 0 0
15 27 1 0 0 0 0
16 17 2 0 0 0 0
16 29 1 0 0 0 0
17 30 1 0 0 0 0
18 22 2 0 0 0 0
18 34 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 23 2 0 0 0 0
20 35 1 0 0 0 0
22 23 1 0 0 0 0
23 36 1 0 0 0 0
24 25 1 0 0 0 0
24 37 1 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
M CHG 2 5 -1 8 1
M END
$$$$