D0K3MC Wcorina 11010620233D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 57 60 0 0 0 999 V2000 -0.0492 1.3292 0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 2.0527 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0939 -0.0596 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5044 3.5607 4.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8544 4.0614 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6879 -0.8706 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 1.9334 1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9473 3.6859 2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8397 3.0471 5.1742 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 1.0148 2.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -0.4390 1.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 2.0674 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3749 3.9468 5.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6219 4.6597 3.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 3.1157 2.8652 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 2.1848 1.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3968 5.0054 5.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8858 5.1270 3.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6404 4.4186 6.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9897 5.5974 5.5207 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 2.8699 -1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0069 -0.6281 -0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1107 3.0030 1.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 2.6563 1.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -2.2563 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6656 3.9059 3.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 -1.9936 -1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 3.5841 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 3.4789 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 -2.8122 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5891 3.1475 2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9067 4.7381 2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 1.2005 3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 1.2288 2.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 -1.0478 2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 -0.6286 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 3.0641 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 1.5363 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7865 3.4894 6.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2247 4.7555 2.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 1.1893 1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 2.6811 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4808 5.5858 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0435 4.3309 7.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 2.9468 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 0.0144 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 2.5067 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 3.9985 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 2.5781 2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -2.9042 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 3.9148 4.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 3.4619 3.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 4.9272 3.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -2.4221 -1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9678 4.2235 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4074 4.0433 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 -3.8856 -0.3661 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 12 1 0 0 0 0 2 7 2 0 0 0 0 2 21 1 0 0 0 0 3 6 2 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 8 15 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 19 1 0 0 0 0 13 39 1 0 0 0 0 14 18 2 0 0 0 0 14 40 1 0 0 0 0 15 23 1 0 0 0 0 15 26 1 0 0 0 0 16 23 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 19 2 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 21 28 2 0 0 0 0 21 45 1 0 0 0 0 22 27 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 29 2 0 0 0 0 24 49 1 0 0 0 0 25 30 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$