D0SH2X Wcorina 11010620303D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -1.5625 1.4607 1.2684 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5914 -0.0088 1.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 -0.4678 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 0.2082 3.7368 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 1.6626 3.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9012 2.2090 2.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 2.1045 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 3.4485 0.0711 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 1.2150 -1.2333 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 4.0695 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 5.4541 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 6.0663 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0061 5.2972 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9087 3.9123 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6849 3.3004 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2466 5.9176 -0.6648 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2445 5.2766 -1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5820 5.5687 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5659 4.9335 -1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2212 4.0076 -2.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8909 3.7144 -3.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9016 4.3497 -2.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2786 3.3284 -3.6475 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.4507 3.5852 -3.4384 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9766 2.5127 -4.5001 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5862 -0.3307 4.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -0.3508 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 -0.4175 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 -1.5465 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2881 -0.2156 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 2.1291 4.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 1.8852 3.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 3.2666 2.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9596 2.0802 2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 3.9860 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7666 6.0520 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9476 7.1431 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7904 3.3141 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6091 2.2236 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4135 6.7927 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8519 6.2915 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6058 5.1599 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6252 2.9905 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8629 4.1206 -2.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.1835 4.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9613 0.1873 5.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 -1.3957 5.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M CHG 2 23 1 25 -1 M END $$$$