D0R3HX Wcorina 11010620303D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 29 29 0 0 0 999 V2000 -0.0180 1.4761 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0685 2.2780 0.0041 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0886 2.2222 0.0187 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7276 3.5139 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 3.5705 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 1.8454 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -0.5986 -0.0113 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0443 -0.6274 0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 1.5813 -1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 0.7576 -2.8435 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8803 2.8053 -2.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3303 -0.7769 -4.4040 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 1.0112 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1068 0.2085 -2.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 -0.0419 -4.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3983 4.3603 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 4.4639 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 2.6260 0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 0.9312 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 0.8656 -1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 0.1470 -3.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 3.4898 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0061 1.7269 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3443 0.0776 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 0.9186 -2.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1383 -0.7307 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 0.8973 -4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 -0.7520 -4.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M CHG 2 2 1 8 -1 M END $$$$