Structures.mol corina 07222111593D 1 1.00000 0.00000 CORINA 4.3.0 0026 30.10.2019 154155 0 0 0 0 0 0 0 0999 V2000 -0.0127 1.0858 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7465 1.5946 -1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 1.1577 -2.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4598 1.6861 -2.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 1.2006 -1.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 1.6170 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 1.0646 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4827 1.6507 1.2609 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6839 1.5478 1.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 1.0443 -1.2727 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.6872 -3.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 3.1149 -2.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 3.7153 -2.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5891 5.2385 -2.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 5.8814 -2.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 7.4046 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 8.0475 -2.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0677 9.5706 -2.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3921 10.1879 -2.8847 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5862 27.1165 11.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8246 27.6498 10.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8133 27.1451 9.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7524 25.6153 9.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5941 25.1854 9.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5749 25.5879 11.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3099 25.0503 11.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9244 25.0944 9.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0810 23.6811 9.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3616 23.2362 10.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5293 21.7230 10.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8098 21.2782 10.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9775 19.7650 10.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2580 19.3201 11.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4186 17.8712 11.1999 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4834 17.2529 11.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3109 17.8978 12.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6446 15.7980 11.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6953 15.1879 12.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3558 23.5993 11.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3921 23.6052 12.8342 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3128 22.9672 12.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 21.4617 12.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6253 27.5290 12.5943 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4155 27.5389 12.6027 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4462 27.7149 13.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4078 28.1432 14.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8049 29.1016 10.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0146 29.0831 10.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9925 29.7273 10.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0509 31.2331 10.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0211 27.5835 8.3532 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8874 27.6196 6.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9362 27.7950 7.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1489 28.2512 6.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8894 48.1617 24.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1278 48.6950 23.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1165 48.1903 22.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0556 46.6605 22.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8974 46.2305 23.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8781 46.6330 24.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6131 46.0955 25.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2276 46.1395 23.0535 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3843 44.7262 22.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6648 44.2814 23.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8325 42.7682 23.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1130 42.3233 24.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2807 40.8101 24.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5613 40.3653 24.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7218 38.9164 24.5915 N 0 0 0 0 0 0 0 0 0 0 0 0 39.7866 38.2981 25.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6141 38.9430 25.7547 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9478 36.8432 24.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9985 36.2331 25.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6590 44.6445 25.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6953 44.6504 26.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6161 44.0124 25.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5935 42.5069 25.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9285 48.5741 25.9859 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7187 48.5841 25.9943 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7494 48.7601 26.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7110 49.1884 28.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3243 48.6287 21.7448 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1906 48.6648 19.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2394 48.8402 20.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4521 49.2964 19.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1081 50.1468 23.8754 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3178 50.1282 23.8542 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2957 50.7724 23.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3541 52.2783 23.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 50.8952 78.1642 35.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7993 60.8130 40.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7898 61.6897 42.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9641 62.9499 41.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5496 63.6782 40.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5576 62.7972 39.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 49.3525 61.6239 39.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 49.3095 60.7742 38.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 49.8862 64.0910 40.8037 O 0 0 0 0 0 0 0 0 0 0 0 0 50.4477 64.9732 39.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8727 65.3477 40.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4738 66.2923 39.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8988 66.6667 39.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4999 67.6113 38.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 55.9249 67.9858 38.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5005 68.8902 37.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 49.6681 78.1356 37.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 50.9065 78.6689 37.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 50.8343 76.6344 35.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6760 76.2044 36.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6568 76.6069 37.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 48.3918 76.0693 38.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0063 76.1134 36.4451 O 0 0 0 0 0 0 0 0 0 0 0 0 52.1629 74.7001 36.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 53.4435 74.2553 37.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6112 72.7421 36.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8917 72.2972 37.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 55.0594 70.7840 37.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 56.3399 70.3392 38.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 57.1777 68.3894 36.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 57.3110 67.1866 36.8104 O 0 0 0 0 0 0 0 0 0 0 0 0 57.7557 69.2976 35.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 58.4240 68.8033 34.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1029 78.6026 35.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 52.0180 78.8141 33.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 50.9693 78.6387 33.2399 O 0 0 0 0 0 0 0 0 0 0 0 0 53.2308 79.2702 33.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 48.4376 74.6183 38.6038 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4740 74.6242 39.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 47.3947 73.9862 39.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 47.3722 72.4808 39.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7072 78.5480 39.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 47.4974 78.5579 39.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5280 78.7339 39.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 48.4897 79.1622 41.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 50.8868 80.1207 37.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 53.0965 80.1021 37.2458 O 0 0 0 0 0 0 0 0 0 0 0 0 52.0744 80.7463 37.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1328 82.2522 37.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1975 60.9530 43.1033 O 0 0 0 0 0 0 0 0 0 0 0 0 49.4666 62.1096 44.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6252 61.2566 44.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 48.0559 60.5335 45.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 48.0076 63.8239 42.8833 O 0 0 0 0 0 0 0 0 0 0 0 0 45.9985 64.5656 42.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 46.9391 64.6081 43.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9125 65.5415 44.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6386 59.6499 40.9716 O 0 0 0 0 0 0 0 0 0 0 0 0 48.3565 58.5137 39.5756 O 0 0 0 0 0 0 0 0 0 0 0 0 49.3120 58.5257 40.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1372 57.2783 40.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 49.9418 61.4988 37.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5146 59.7834 35.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 49.9874 60.8875 36.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 50.6283 61.5781 34.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 3 1 0 4 5 1 0 5 6 1 0 6 1 1 0 6 7 1 0 7 8 1 0 1 9 1 0 2 10 1 0 3 11 1 0 4 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 1 0 21 22 1 0 23 22 1 0 23 24 1 0 24 25 1 0 25 20 1 0 25 26 1 0 23 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 2 0 41 42 1 0 40 41 2 0 39 41 1 0 26 39 1 0 45 46 1 0 44 45 2 0 43 45 1 0 20 43 1 0 49 50 1 0 48 49 2 0 47 49 1 0 21 47 1 0 53 54 1 0 52 53 2 0 51 53 1 0 22 51 1 0 55 56 1 0 56 57 1 0 58 57 1 0 58 59 1 0 59 60 1 0 60 55 1 0 60 61 1 0 58 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 2 0 70 72 1 0 72 73 2 0 76 77 1 0 75 76 2 0 74 76 1 0 61 74 1 0 80 81 1 0 79 80 2 0 78 80 1 0 55 78 1 0 84 85 1 0 83 84 2 0 82 84 1 0 57 82 1 0 88 89 1 0 87 88 2 0 86 88 1 0 56 86 1 0 91 92 1 0 92 93 1 0 94 93 1 0 94 95 1 0 95 96 1 0 96 91 1 0 96 97 1 0 94 98 1 0 98 99 1 0 99100 1 0 100101 1 0 101102 1 0 102103 1 0 103104 1 0 104105 1 0 106107 1 0 107 90 1 0 90108 1 0 108109 1 0 109110 1 0 106110 1 0 110111 1 0 108112 1 0 112113 1 0 113114 1 0 114115 1 0 115116 1 0 116117 1 0 117118 1 0 105118 1 0 105119 1 0 119120 2 0 119121 1 0 121122 2 0 124126 1 0 124125 2 0 123124 1 0 90123 1 0 129130 1 0 128129 2 0 127129 1 0 111127 1 0 133134 1 0 132133 2 0 131133 1 0 106131 1 0 137138 1 0 136137 2 0 135137 1 0 107135 1 0 141142 1 0 140141 2 0 139141 1 0 92139 1 0 145146 1 0 144145 2 0 143145 1 0 93143 1 0 149150 1 0 148149 2 0 147149 1 0 91147 1 0 153154 1 0 152153 2 0 151153 1 0 97151 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 39 40 41 42 M SBL 1 1 42 M SMT 1 OAc M SBV 1 42 -14.3501 10.6425 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 43 44 45 46 M SBL 2 1 46 M SMT 2 OAc M SBV 2 46 -15.7304 9.8456 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 47 48 49 50 M SBL 3 1 50 M SMT 3 OAc M SBV 3 50 -15.7585 10.0592 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 51 52 53 54 M SBL 4 1 54 M SMT 4 OAc M SBV 4 54 -14.9335 11.0775 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 74 75 76 77 M SBL 5 1 77 M SMT 5 OAc M SBV 5 77 -14.3501 10.6425 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 4 78 79 80 81 M SBL 6 1 81 M SMT 6 OAc M SBV 6 81 -15.7304 9.8456 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 4 82 83 84 85 M SBL 7 1 85 M SMT 7 OAc M SBV 7 85 -14.9335 11.0775 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 4 86 87 88 89 M SBL 8 1 89 M SMT 8 OAc M SBV 8 89 -15.7585 10.0592 M STY 1 9 SUP M SLB 1 9 9 M SAL 9 4 123 124 125 126 M SBL 9 1 127 M SMT 9 AcO M SBV 9127 -14.9335 11.0990 M STY 1 10 SUP M SLB 1 10 10 M SAL 10 4 127 128 129 130 M SBL 10 1 131 M SMT 10 OAc M SBV 10131 -15.5169 10.6425 M STY 1 11 SUP M SLB 1 11 11 M SAL 11 4 131 132 133 134 M SBL 11 1 135 M SMT 11 OAc M SBV 11135 -14.1366 9.8456 M STY 1 12 SUP M SLB 1 12 12 M SAL 12 4 135 136 137 138 M SBL 12 1 139 M SMT 12 OAc M SBV 12139 -14.1085 10.0592 M STY 1 13 SUP M SLB 1 13 13 M SAL 13 4 139 140 141 142 M SBL 13 1 143 M SMT 13 OAc M SBV 13143 -15.7585 10.0592 M STY 1 14 SUP M SLB 1 14 14 M SAL 14 4 143 144 145 146 M SBL 14 1 147 M SMT 14 OAc M SBV 14147 -14.9335 11.0775 M STY 1 15 SUP M SLB 1 15 15 M SAL 15 4 147 148 149 150 M SBL 15 1 151 M SMT 15 OAc M SBV 15151 -15.7304 9.8456 M STY 1 16 SUP M SLB 1 16 16 M SAL 16 4 151 152 153 154 M SBL 16 1 155 M SMT 16 OAc M SBV 16155 -14.3501 10.6425 M STY 1 17 GEN M SLB 1 17 17 M SAL 17 15 56 55 57 58 59 62 65 78 66 82 64 67 63 86 74 M SAL 17 2 60 61 M SBL 17 1 68 M SDI 17 4 -6.2041 -4.5928 -6.2041 -8.3417 M SDI 17 4 -13.8163 -8.3417 -13.8163 -4.5928 M SBT 1 17 1 M END $$$$