corina 02131209423D 1 1.00000 0.00000 CORINA 3.49 0024 01.06.2011 76 80 0 0 0 0 0 0 0 0999 V2000 -0.0538 1.6403 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 0.1147 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 -0.4891 -1.1132 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9540 -0.0740 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 1.4516 -1.2552 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4167 2.0553 -0.0004 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5133 3.5810 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3868 -2.0147 -1.0498 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1268 -2.5215 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 1.5700 1.1864 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 1.9250 -2.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -2.5786 -2.2218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2807 1.0029 1.1956 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 0.6991 2.3997 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6402 1.0813 3.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 1.6463 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -2.4297 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 -3.8808 -0.7904 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 -4.5168 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -5.8412 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -5.9491 -1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -4.7700 -1.5549 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 0.9196 4.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 1.4649 5.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 1.3986 6.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 1.9334 7.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 0.8989 7.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -6.9717 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9578 -6.4300 1.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 -7.3152 2.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3024 -6.8367 3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 -8.5071 2.6069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2267 1.8662 8.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3827 2.3678 9.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 2.9373 8.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1736 3.0065 6.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 2.5137 6.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 -7.7519 4.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6147 -7.2986 5.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -5.9392 6.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2147 -5.0266 5.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4716 -5.4670 4.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9373 3.6227 9.1076 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.7942 -5.3264 7.5775 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 2.0014 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5054 2.0704 0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 -0.2464 1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 -0.1810 0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 -0.1280 -1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4812 -0.4351 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4056 -0.5041 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 1.7473 -1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0618 4.0111 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 3.8767 -0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9862 3.9421 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 -2.0914 1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 -3.6084 0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 -2.2259 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7085 1.5821 -3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5592 -2.3002 -3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 2.0709 2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -1.9288 -0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -2.1467 -1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 -4.0597 1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 -0.1387 4.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 1.4515 5.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8409 -7.6009 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3665 -7.5668 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5306 1.4220 9.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 2.3161 10.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9357 3.4515 6.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 2.5727 5.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7482 -8.8123 4.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0611 -8.0053 6.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -3.9678 5.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0247 -4.7542 3.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 6 1 1 0 0 0 1 45 1 0 0 0 1 46 1 0 0 0 3 2 1 0 0 0 47 2 1 0 0 0 48 2 1 0 0 0 3 4 1 0 0 0 8 3 1 0 0 0 3 49 1 0 0 0 5 4 1 0 0 0 50 4 1 0 0 0 51 4 1 0 0 0 5 6 1 0 0 0 5 11 1 0 0 0 5 52 1 0 0 0 6 7 1 0 0 0 6 10 1 0 0 0 53 7 1 0 0 0 54 7 1 0 0 0 7 55 1 0 0 0 8 9 1 0 0 0 8 12 1 0 0 0 17 8 1 0 0 0 56 9 1 0 0 0 9 57 1 0 0 0 58 9 1 0 0 0 10 13 1 0 0 0 16 10 1 0 0 0 59 11 1 0 0 0 60 12 1 0 0 0 13 14 2 0 0 0 15 14 1 0 0 0 15 16 2 0 0 0 23 15 1 0 0 0 16 61 1 0 0 0 17 18 1 0 0 0 17 62 1 0 0 0 63 17 1 0 0 0 18 19 1 0 0 0 18 22 1 0 0 0 19 20 2 0 0 0 64 19 1 0 0 0 20 21 1 0 0 0 20 28 1 0 0 0 21 22 2 0 0 0 23 24 1 0 0 0 65 23 1 0 0 0 23 66 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 26 33 2 0 0 0 26 37 1 0 0 0 28 29 1 0 0 0 28 67 1 0 0 0 28 68 1 0 0 0 30 29 1 0 0 0 30 31 1 0 0 0 30 32 2 0 0 0 31 38 2 0 0 0 31 42 1 0 0 0 33 34 1 0 0 0 69 33 1 0 0 0 34 35 2 0 0 0 70 34 1 0 0 0 36 35 1 0 0 0 43 35 1 0 0 0 36 37 2 0 0 0 71 36 1 0 0 0 37 72 1 0 0 0 38 39 1 0 0 0 73 38 1 0 0 0 40 39 2 0 0 0 74 39 1 0 0 0 40 41 1 0 0 0 40 44 1 0 0 0 41 42 2 0 0 0 75 41 1 0 0 0 76 42 1 0 0 0 M END $$$$