D0L4JT Wcorina 10100417263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 31 31 0 0 0 0 0 0 0999 V2000 -3.5574 7.1220 5.5774 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.6517 -0.0117 7.2597 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 1.4168 0.0098 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 2.2101 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0846 3.0215 4.8193 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 1.8797 -1.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3616 2.6433 3.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 4.3437 5.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 2.0961 5.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5591 1.3900 3.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4472 3.5216 3.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 1.8941 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 1.0194 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 3.1445 1.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 5.3477 4.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3527 1.2302 6.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 4.2925 6.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 4.6634 5.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8544 2.6631 5.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4695 1.4573 4.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 0.7062 3.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 4.4984 3.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 0.0451 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 3.8269 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8656 5.0280 4.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6546 5.3989 3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9357 1.8689 7.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5508 0.6632 5.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 1.2154 -1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 2.8153 -1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$