D0N1RG Wcorina 11010620313D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 62 69 0 1 0 999 V2000 -0.0186 1.5206 0.0104 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4324 1.9329 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5365 2.2047 -1.2428 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5552 3.0373 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 3.3309 -1.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -0.4561 1.2575 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0652 0.0374 2.4521 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 1.3432 -2.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 1.2637 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1386 0.1004 -2.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 -0.4795 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 1.8227 -3.5908 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2196 -0.0367 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7062 2.0397 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 -0.6473 -3.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4019 -0.1101 -4.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 -0.5155 3.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 3.6162 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 1.5044 2.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 -0.2064 4.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 1.1559 -4.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 -0.8015 6.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3247 0.6968 5.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 -0.8691 -6.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 1.8513 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 -0.5227 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 3.0031 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -0.3192 -7.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -2.1315 -6.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -2.2853 -8.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 -2.8334 -7.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 -1.0290 -8.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 4.7269 -1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3705 -3.1730 -9.9407 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 2.5577 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7365 -1.5455 1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -0.1500 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -1.5678 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5408 0.0484 2.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -0.8123 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 3.1294 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 1.6951 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 -1.6251 -3.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 -1.5951 3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 -0.0663 3.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4779 1.8296 3.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0562 1.8882 2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 -0.1217 4.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 1.5921 -5.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 -1.1080 6.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 -1.4133 6.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 1.0709 5.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 1.3761 6.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 1.4107 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 -1.4886 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8576 3.4472 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 0.6606 -7.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6437 -2.5597 -5.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 -3.8138 -7.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -0.6037 -9.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 5.5577 -1.2451 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 1 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 5 2 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 36 1 0 0 0 0 5 19 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 37 1 0 0 0 0 8 20 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 26 2 0 0 0 0 11 16 1 0 0 0 0 11 12 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 22 2 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 34 1 0 0 0 0 19 28 2 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 33 2 0 0 0 0 29 58 1 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 31 33 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M END $$$$