D0I7RA Wcorina 10100417213D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 38 41 0 0 0 0 0 0 0999 V2000 6.4324 -4.1996 -4.3305 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 1.3370 0.4289 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3717 -0.0539 0.4351 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -0.7499 0.5009 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3609 -4.1192 -0.1439 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 -4.1278 -0.0267 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 -2.1040 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 -2.3080 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -2.7952 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8589 -1.4320 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -2.0669 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -1.1523 0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.7916 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0084 -3.1322 -2.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2053 -0.6730 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 -1.3975 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 -0.0179 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -2.1001 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1976 -0.7275 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1904 -3.0835 -2.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -2.2182 -2.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1987 -4.7498 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2607 2.0030 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5696 -0.8330 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5821 -0.7739 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -0.0816 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2215 -3.8064 -2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1313 -0.1172 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8393 -0.7275 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 -2.6391 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 -2.1878 -2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1959 -5.8261 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 1.7930 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 3.0776 0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 1.6464 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6406 -1.3862 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 -1.5333 1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 -0.1738 0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 19 1 0 0 0 0 3 24 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 9 2 0 0 0 0 5 22 1 0 0 0 0 6 13 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 25 1 0 0 0 0 13 18 2 0 0 0 0 14 20 2 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$