D0U3SB
Wcorina 10100417253D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
35 36 0 1 0 0 0 0 0999 V2000
-2.3940 8.2700 2.7600 Br 0 0 0 0 0 0 0 0 0 0 0 0
0.2244 4.0396 0.6197 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0740 1.4693 -0.0276 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 1.9510 -1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0046 0.0030 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8714 -0.4781 -1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1417 1.5281 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2571 0.0014 -2.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7829 1.9741 1.1559 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1539 1.3814 2.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6789 3.4768 1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6737 4.2612 1.9496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5805 5.6557 1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7204 3.6160 2.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5174 6.3840 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6487 4.3574 3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5472 5.7370 3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 1.5232 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7760 3.0382 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4471 -0.3246 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9972 -0.4157 -0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8773 -0.0709 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9167 -1.5671 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3342 1.8723 -3.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1362 1.9668 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8944 -0.3020 -3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7336 -0.4368 -2.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8321 1.6839 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6798 1.7560 3.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2291 0.2945 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8954 1.6716 2.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7775 6.1612 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8014 2.5395 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4575 3.8602 3.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2773 6.3121 3.9101 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
2 11 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 9 1 0 0 0 0
4 7 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
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5 21 1 0 0 0 0
6 8 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
14 16 2 0 0 0 0
14 33 1 0 0 0 0
15 17 2 0 0 0 0
16 17 1 0 0 0 0
16 34 1 0 0 0 0
17 35 1 0 0 0 0
M END
$$$$