D0XO2E Wcorina 10100417233D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 41 42 0 0 0 0 0 0 0999 V2000 -8.8741 4.4052 -7.2551 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.2146 1.2179 -4.3317 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 1.4025 -1.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 -4.0845 -0.9876 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0069 1.1227 -1.6855 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9066 2.1863 -2.5278 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0922 2.6528 -4.8233 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1094 0.0628 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -0.6697 -0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 0.4107 -1.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3564 0.0428 -1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 -2.0509 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 -2.7250 -0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5498 -0.6314 -1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5733 -2.0123 -1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7471 1.5312 -2.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6147 2.7086 -3.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5745 2.0715 -1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -4.7128 -1.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8639 3.2831 -3.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5566 3.7975 -4.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9735 3.7193 -5.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7289 3.1348 -5.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7883 -0.5715 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 0.9791 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9416 -0.5056 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 1.0450 -2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 -2.6058 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3086 1.3003 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 -0.0765 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 -2.5372 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2482 2.2942 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 1.7940 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 1.7812 -2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4156 3.1497 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 -5.7955 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 -4.4210 -2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 -4.4012 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2877 3.3269 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5288 4.2493 -4.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2713 3.0716 -6.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 16 2 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 29 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 32 1 0 0 0 0 7 17 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 17 20 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 23 41 1 0 0 0 0 M END $$$$