BE8IC3
-OEChem-04022108392D
39 42 0 0 0 0 0 0 0999 V2000
4.5308 -3.0440 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.8731 -1.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8731 -2.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3125 0.0147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 2.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3009 -3.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3949 -1.4991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1949 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1949 -2.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9269 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9269 -2.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3009 -0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0609 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0609 -3.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4523 0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7319 1.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4568 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5806 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4639 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7204 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6037 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3949 -2.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8833 3.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0609 -0.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0609 -3.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8530 0.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9176 -2.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9176 -1.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5734 -0.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0043 1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1799 0.2409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6108 2.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5033 3.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8905 3.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2634 3.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6962 2.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4595 1.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3038 1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
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3 11 1 0 0 0 0
3 17 1 0 0 0 0
4 12 1 0 0 0 0
4 15 1 0 0 0 0
4 27 1 0 0 0 0
5 16 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 9 1 0 0 0 0
6 22 2 0 0 0 0
7 12 2 0 0 0 0
7 22 1 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
8 13 2 0 0 0 0
9 14 2 0 0 0 0
10 11 2 0 0 0 0
10 13 1 0 0 0 0
11 14 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
18 20 1 0 0 0 0
18 30 1 0 0 0 0
19 21 2 0 0 0 0
19 31 1 0 0 0 0
20 32 1 0 0 0 0
21 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
24 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
M END
$$$$