D0JI1S Wcorina 11010620233D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 54 58 0 0 0 999 V2000 0.1533 0.2765 0.0716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 1.5957 0.2655 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 2.6965 0.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0015 1.3069 -6.9452 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8753 2.6431 -6.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7729 2.0383 -8.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3053 2.2290 -11.4815 Br 0 0 0 0 0 0 0 0 0 0 0 0 -8.0358 2.4076 -10.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7437 1.4729 -9.1329 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5298 3.2306 -8.8421 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2758 3.4429 -9.8667 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2375 -4.2139 -7.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1395 -3.6649 -8.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4934 -3.7096 -7.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4938 -2.3155 -8.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0193 -1.2201 -8.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4400 0.0367 -8.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3174 0.2046 -8.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3453 -2.1878 -9.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7508 -0.9127 -9.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6073 -0.7855 -10.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0873 -1.8857 -11.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 -3.1390 -10.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7807 -3.3006 -10.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 2.2301 -5.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 3.0724 -4.7245 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2688 1.1396 -4.7587 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 2.7241 -3.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0096 3.7153 -2.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 3.3674 -1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 2.0352 -1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 1.0467 -2.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 1.3874 -3.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 5.3882 -3.1257 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4739 1.4998 1.4666 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1915 2.8493 -7.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 3.5402 -6.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1321 -5.2906 -6.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8350 -3.5991 -6.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9692 -4.3804 -9.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2143 -4.4546 -8.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9172 -2.7631 -7.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9000 -1.3276 -7.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8764 0.8898 -7.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1422 0.1801 -10.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2074 -1.7850 -11.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2423 -3.9957 -11.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2249 -4.2783 -9.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9922 3.9200 -5.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 4.1370 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 0.0070 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7334 0.6147 -3.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 2.2851 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 0.6583 1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 2 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 25 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 10 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 M END $$$$