D03PBE Wcorina 11010620243D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 54 57 0 0 0 999 V2000 -0.0017 1.5111 -0.0511 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2695 1.0256 1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2705 0.0818 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9633 -0.3268 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 0.2045 -1.0314 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 1.1058 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 -1.3353 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2512 -1.3057 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9599 -2.3939 -0.0679 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -3.1374 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 -2.5009 1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 1.6387 -2.3576 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7427 2.4969 -2.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7659 2.4678 -1.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 3.3195 -1.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9087 4.2018 -2.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 4.2335 -3.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8072 3.3833 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 5.0338 -2.8747 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 3.4231 -4.7343 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 -0.4926 2.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -4.3968 1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8527 -4.9218 1.1611 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9059 -4.9671 2.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 -6.1790 1.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2928 -6.8583 0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -5.8876 3.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 -8.2298 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1901 -8.8537 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1619 -8.1064 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1995 -6.7333 -0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 -6.1091 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4203 -5.7939 -1.3382 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0926 -5.1303 2.9812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 1.3635 2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 -0.5398 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 -2.6183 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2346 -2.8287 1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 1.4173 -3.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 1.7796 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6423 3.2966 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 4.9228 -4.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 -1.4295 2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 -0.6779 2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3171 0.2141 3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4425 -4.4672 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4088 -6.8307 1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 -5.3181 3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -6.8273 3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4969 -8.8144 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1607 -9.9254 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8921 -8.5939 -1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2898 -5.0374 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5398 -4.9090 3.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 3 21 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 18 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 32 1 0 0 0 0 27 34 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 53 1 0 0 0 0 34 54 1 0 0 0 0 M END $$$$