C12210_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 58 60 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9589 -12.6195 -1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6359 -11.6316 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3136 -10.3333 -2.1869 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -9.9807 -1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 -10.9097 -0.5844 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.0036 -12.2378 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6695 -10.4955 0.3641 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7101 -10.9359 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -9.0552 0.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 -8.7514 1.6590 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1474 -8.9245 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 -9.7276 2.6733 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8172 -10.0739 3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 -10.9040 1.8014 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5617 -11.8304 2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -11.0437 1.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6545 -9.1034 3.3517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -7.3025 2.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 -6.4186 1.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -4.8153 1.2563 P 0 0 2 0 0 0 0 0 0 0 0 0 -2.1375 -4.3797 1.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0592 -4.3567 2.5467 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 -8.8061 -1.1665 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5009 -11.9516 -3.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -13.6640 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7727 -9.6507 -2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4769 -12.9772 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7806 -11.2993 2.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 -9.6720 4.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2812 -7.1246 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 -7.1225 3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0497 3.5188 2.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7552 3.1102 3.5522 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9485 3.7768 3.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4228 1.7662 3.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 1.3105 3.7136 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2404 1.2606 5.2448 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2507 1.0534 5.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 2.6088 5.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 3.2020 5.0707 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0602 4.2455 5.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 2.4649 5.4543 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1551 3.1904 6.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 0.2399 5.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 3.5437 1.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 4.5099 3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8345 2.7999 3.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.9960 3.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2922 2.4817 6.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 0.1548 6.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6154 3.7953 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 8 28 2 0 0 0 0 6 29 2 0 0 0 0 5 30 1 0 0 0 0 7 31 1 0 0 0 0 10 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 45 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 44 48 2 0 0 0 0 42 49 1 0 0 0 0 41 50 1 0 0 0 0 37 51 1 0 0 0 0 37 52 1 0 0 0 0 37 53 1 0 0 0 0 41 54 1 0 0 0 0 47 55 1 0 0 0 0 49 56 1 0 0 0 0 51 57 1 0 0 0 0 1 27 1 0 0 0 0 1 50 1 0 0 0 0 1 58 1 0 0 0 0 M CHG 3 2 -1 26 -1 58 -1 M END $$$$ C12210_8 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 58 60 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2297 -5.4962 -1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7597 -5.4230 -1.9339 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6558 -4.7458 -2.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 -4.9421 -0.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -4.7276 -1.1483 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0613 -6.0712 -1.4842 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0712 -5.9028 -1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 -6.7505 -2.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 -6.8208 -2.3323 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7633 -7.1349 -3.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 -7.7502 -1.2866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 -7.2183 -3.5408 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1104 -6.8905 -0.3144 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 -4.1784 -1.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -5.9472 -2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3214 -6.1025 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 -4.0581 -2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2778 -8.6553 -1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 -7.7565 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 -4.1485 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8238 0.8727 -8.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1689 0.5340 -7.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2057 0.4896 -6.2812 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 0.7649 -6.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 1.0881 -7.8641 N 0 0 1 0 0 0 0 0 0 0 0 0 8.5346 1.1442 -8.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1882 1.3823 -8.1847 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8139 0.6782 -8.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3774 1.3315 -6.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 2.0926 -7.3039 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5088 1.4989 -7.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 3.3112 -8.1032 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0038 3.5670 -8.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 2.8322 -8.6988 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0128 2.8494 -9.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 3.6404 -8.2183 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 4.4297 -7.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 2.5491 -6.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 1.4096 -5.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 1.5183 -3.9210 P 0 0 2 0 0 0 0 0 0 0 0 0 3.0657 2.2912 -2.8995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 2.2682 -4.1402 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0702 0.7206 -5.7431 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3250 0.2846 -6.9332 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5823 0.9176 -9.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4343 0.2580 -5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2526 1.4048 -9.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0854 4.5612 -8.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 5.2229 -7.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 3.0770 -5.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 3.2156 -6.2696 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 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 12 16 2 0 0 0 0 10 17 1 0 0 0 0 9 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 9 22 1 0 0 0 0 15 23 1 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 27 32 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 40 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 38 43 1 0 0 0 0 36 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 30 50 2 0 0 0 0 28 51 2 0 0 0 0 27 52 1 0 0 0 0 29 53 1 0 0 0 0 32 54 1 0 0 0 0 42 55 1 0 0 0 0 43 56 1 0 0 0 0 44 57 1 0 0 0 0 44 58 1 0 0 0 0 1 18 1 0 0 0 0 1 26 1 0 0 0 0 1 49 1 0 0 0 0 M CHG 3 2 -1 26 -1 48 -1 M END $$$$ C00074_1 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 14 13 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -3.9386 2.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 -4.7110 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -6.1759 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 -6.6863 2.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -6.8836 0.3181 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 -2.8633 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5662 -4.3891 2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 M CHG 4 2 -1 9 -1 13 -1 14 -1 M END $$$$ C00044_7 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 46 48 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -11.2874 -1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -12.1547 -0.8088 N 0 0 2 0 0 0 0 0 0 0 0 0 4.8314 -12.9510 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7127 -13.9567 0.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 -14.5576 1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -14.1902 0.8716 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 -13.1826 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1036 -12.5275 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9305 -11.5089 -1.4219 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3633 -12.8464 -0.3275 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6017 -15.5843 2.1176 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4788 -12.2205 -0.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1782 -12.4737 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -10.9633 -1.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 -11.2749 -1.4541 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0790 -11.3840 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 -12.6180 -2.2132 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2478 -13.2508 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 -13.2565 -1.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7194 -14.2030 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -13.4466 -2.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6559 -12.3936 -3.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -10.1851 -2.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1665 -8.9646 -1.6191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 -7.6032 -2.2566 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0519 -7.2562 -3.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 -7.7927 -2.6130 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5940 -6.4061 -1.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0101 -4.3291 -2.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -4.3656 -1.3078 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 -10.5333 -2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 -14.6541 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -15.8569 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3746 -16.0374 2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -14.0875 -3.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -13.2038 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 -10.0359 -3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -10.4889 -2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 13 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 9 15 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 21 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 5 37 1 0 0 0 0 10 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 1 36 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 M CHG 5 2 -1 31 -1 35 -1 45 -1 46 -1 M END $$$$ C02330_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 58 60 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2305 -10.2863 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 -9.3901 -2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3896 -8.1351 -2.1789 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 -7.7391 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -8.5810 -0.6120 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.1595 -9.8627 -0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -8.1214 0.1521 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6699 -8.7241 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2855 -6.7265 -0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -6.2634 0.9992 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5411 -6.5810 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -6.9316 2.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3643 -7.2206 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 -8.1848 1.6675 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4174 -9.0923 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 -8.1199 1.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 -6.0532 2.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -4.7397 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -6.6045 -1.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8331 -9.7494 -2.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6002 -11.2940 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 -7.5154 -2.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 -10.5321 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 -8.1558 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -6.4225 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -4.4325 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -4.4162 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9888 3.3913 7.6257 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8880 3.1754 8.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 2.2020 6.7159 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4743 2.0629 5.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 2.4813 5.9681 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3139 2.7205 6.9121 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 3.8496 7.7586 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6530 4.7451 7.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 3.6253 8.5783 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0099 4.5041 9.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 2.4821 9.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 4.0221 8.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4672 3.1983 8.6958 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 4.9853 9.4347 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0228 1.3524 5.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 1.4760 3.7779 P 0 0 2 0 0 0 0 0 0 0 0 0 0.8770 2.2234 4.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 2.2599 2.7484 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 1.0209 7.5071 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 4.5599 6.8309 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4845 3.3588 5.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9146 2.5612 10.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 0.2269 6.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 5.3530 7.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 2 0 0 0 0 6 25 2 0 0 0 0 5 26 1 0 0 0 0 7 27 1 0 0 0 0 10 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 33 34 1 0 0 0 0 33 41 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 39 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 37 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 35 52 1 0 0 0 0 33 53 1 0 0 0 0 37 54 1 0 0 0 0 43 55 1 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 1 23 1 0 0 0 0 1 51 1 0 0 0 0 1 58 1 0 0 0 0 M CHG 4 2 -1 46 -1 50 -1 58 -1 M END $$$$ C02330_8 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 58 60 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 -9.5445 -2.7137 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2694 -10.5043 -2.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 -8.5943 -1.5988 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3737 -8.4013 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -7.2771 -2.2204 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0078 -7.5396 -3.1443 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 -8.3847 -4.2344 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2034 -7.9264 -4.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 -9.7464 -3.6938 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1526 -10.3774 -4.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 -10.3713 -3.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7978 -8.5691 -5.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8839 -8.1034 -4.8543 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6659 -9.1841 -6.1989 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5940 -6.4061 -1.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0101 -4.3291 -2.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -4.3656 -1.3078 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4641 -9.1893 -0.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1021 -8.9811 -3.4043 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 -6.8043 -2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -10.5299 -3.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -8.6413 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 -9.5304 -4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6647 1.3385 -6.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0856 0.8617 -5.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1611 0.4840 -4.3457 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 0.5599 -4.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 1.0112 -5.8404 N 0 0 2 0 0 0 0 0 0 0 0 0 7.3436 1.4042 -6.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 1.0820 -6.1344 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7604 0.4487 -6.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 0.6865 -4.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.2488 -5.1865 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3550 0.6423 -5.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 2.6550 -5.7706 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4343 2.8982 -6.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 2.5424 -6.4114 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5312 2.7279 -7.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 3.4521 -5.7882 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.6370 -4.7324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.3521 -3.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 0.2155 -3.8154 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2718 0.7929 -4.9844 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 1.6496 -7.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 0.1560 -3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0037 1.7656 -7.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 4.3837 -5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 4.5387 -5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.8974 -3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 1.8812 -4.0125 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 3 4 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 11 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 7 24 1 0 0 0 0 5 25 1 0 0 0 0 9 26 1 0 0 0 0 15 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 31 36 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 42 47 1 0 0 0 0 40 48 1 0 0 0 0 48 49 1 0 0 0 0 34 50 2 0 0 0 0 32 51 2 0 0 0 0 31 52 1 0 0 0 0 33 53 1 0 0 0 0 36 54 1 0 0 0 0 46 55 1 0 0 0 0 47 56 1 0 0 0 0 48 57 1 0 0 0 0 48 58 1 0 0 0 0 1 23 1 0 0 0 0 1 30 1 0 0 0 0 1 49 1 0 0 0 0 M CHG 4 2 -1 18 -1 22 -1 30 -1 M END $$$$ C01231_1 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 32 32 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -4.7397 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -6.2634 0.9992 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9213 -6.5798 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -6.6755 1.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 -8.0864 0.9484 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6566 -8.4268 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3393 -8.7991 2.0945 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4468 -9.8776 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -8.4263 2.0614 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5901 -8.7798 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -6.9029 2.1471 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3322 -6.6253 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -6.4469 3.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8154 -9.0305 3.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9067 -8.3944 3.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4582 -8.3849 1.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 -8.4405 -0.2998 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7902 -9.4442 -1.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -7.0140 -0.9417 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8330 -8.9174 0.1093 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -4.4325 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -4.4162 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 -6.8128 4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7644 -9.9960 3.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 -8.5962 3.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 9 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 1 25 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 M CHG 5 2 -1 23 -1 24 -1 31 -1 32 -1 M END $$$$ C01346_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 37 38 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 -4.3225 -2.6081 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -4.3595 -1.3081 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 -6.3629 -1.1931 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6647 1.3385 -6.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0856 0.8617 -5.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1611 0.4840 -4.3457 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 0.5599 -4.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 1.0112 -5.8404 N 0 0 1 0 0 0 0 0 0 0 0 0 7.3436 1.4042 -6.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 1.0820 -6.1344 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7604 0.4487 -6.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 0.6865 -4.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.2488 -5.1865 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3550 0.6423 -5.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 2.6550 -5.7706 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4343 2.8982 -6.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 2.5424 -6.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.6370 -4.7324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.3521 -3.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 0.2155 -3.8154 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2718 0.7929 -4.9844 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 1.6496 -7.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 0.1560 -3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0037 1.7656 -7.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 3.2363 -5.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 2.7279 -7.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 4.5387 -5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.8974 -3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 1.8812 -4.0125 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 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 14 28 2 0 0 0 0 12 29 2 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 16 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 27 1 0 0 0 0 M CHG 4 2 -1 5 -1 8 -1 10 -1 M END $$$$ C01346_8 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 37 38 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2305 -10.2863 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 -9.3901 -2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3896 -8.1351 -2.1789 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 -7.7391 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -8.5810 -0.6120 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.1595 -9.8627 -0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -8.1214 0.1521 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6699 -8.7241 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2855 -6.7265 -0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -6.2634 0.9992 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5411 -6.5810 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -6.9316 2.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3643 -7.2206 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 -8.1848 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 -6.0532 2.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -4.7397 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -6.6045 -1.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8331 -9.7494 -2.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6002 -11.2940 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 -7.5154 -2.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 -10.5321 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9118 -8.1353 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 -9.0923 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -6.4225 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -4.4325 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -4.4162 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 2.2339 4.0341 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2054 1.4760 3.7779 P 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 2.2709 2.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 1.3557 5.1223 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 8 22 2 0 0 0 0 6 23 2 0 0 0 0 5 24 1 0 0 0 0 7 25 1 0 0 0 0 10 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 1 21 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 M CHG 4 2 -1 32 -1 35 -1 37 -1 M END $$$$ C00044_9 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 46 48 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -7.7955 -1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -8.5810 -0.6120 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.9956 -9.8764 -0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -11.0523 -0.7252 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 -12.1734 -1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 -12.1959 -1.8896 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 -11.0473 -2.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1923 -9.8335 -1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -8.5345 -1.7435 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -11.0570 -2.7885 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -13.3553 -0.9262 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -8.1214 0.1521 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6699 -8.7241 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2855 -6.7265 -0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -6.2634 0.9992 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5411 -6.5810 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -6.9316 2.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3643 -7.2206 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 -8.1848 1.6675 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4174 -9.0923 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 -8.1199 1.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 -6.0532 2.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -4.7397 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -6.7217 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 -13.0406 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 -13.3552 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6302 -14.1907 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 -8.1558 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -6.4225 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -4.4325 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -4.4162 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 2.3324 7.3460 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2785 2.3457 6.4004 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 3.7995 5.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 1.8718 7.1970 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0228 1.3524 5.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 1.4760 3.7779 P 0 0 2 0 0 0 0 0 0 0 0 0 0.8770 2.2234 4.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 2.2599 2.7484 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 13 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 9 15 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 21 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 5 29 1 0 0 0 0 10 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 27 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 1 28 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 M CHG 5 2 -1 37 -1 40 -1 44 -1 46 -1 M END $$$$ C00044_11 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 46 48 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 -7.7602 -3.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7431 -7.6032 -2.2566 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 -7.2756 -3.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -8.9387 -1.5013 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5940 -6.4061 -1.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0101 -4.3291 -2.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -4.3656 -1.3078 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0101 1.0477 -4.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 1.0112 -5.8404 N 0 0 2 0 0 0 0 0 0 0 0 0 7.4468 0.8955 -6.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4898 0.8147 -8.0922 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 0.7063 -8.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 0.6704 -8.0694 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 0.7472 -6.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6372 0.8646 -6.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3035 0.9613 -4.7119 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9226 0.7156 -6.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 0.6264 -10.0996 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 1.0820 -6.1344 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7604 0.4487 -6.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 0.6865 -4.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.2488 -5.1865 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3550 0.6423 -5.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 2.6550 -5.7706 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4343 2.8982 -6.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 2.5424 -6.4114 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5312 2.7279 -7.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 3.4521 -5.7882 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.6370 -4.7324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.3521 -3.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4707 1.1392 -3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6528 0.5891 -8.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7883 0.6503 -10.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5460 -10.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 4.3837 -5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 4.5387 -5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.8974 -3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 1.8812 -4.0125 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 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 15 23 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 2 0 0 0 0 19 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 31 36 1 0 0 0 0 29 37 1 0 0 0 0 37 38 1 0 0 0 0 15 39 1 0 0 0 0 20 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 37 46 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 38 1 0 0 0 0 M CHG 5 2 -1 5 -1 8 -1 12 -1 14 -1 M END $$$$ C11450_1 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 29 29 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 -5.6592 -1.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 -5.5016 -1.9139 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6813 -4.8408 -2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 -4.9419 -0.8396 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -4.7276 -1.1483 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5163 -4.0568 -2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -6.0671 -1.4856 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1033 -5.9005 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 -6.7144 -2.6565 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5964 -6.0808 -3.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1602 -6.8721 -2.2823 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7093 -7.2811 -3.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2779 -7.7552 -1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 -7.9979 -2.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -6.9281 -0.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 -4.3695 -1.2484 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7525 -6.1674 -2.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2386 -6.2471 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -8.6438 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -7.9724 -3.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 -6.5776 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6889 -4.3930 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 9 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 21 27 1 0 0 0 0 1 20 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 M CHG 3 2 -1 28 -1 29 -1 M END $$$$ C11916_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 63 65 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0638 -9.3205 -3.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3243 -10.3466 -2.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6223 -11.7239 -2.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9472 -12.6238 -1.5872 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9989 -12.2155 -0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 -10.9097 -0.5844 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.3648 -9.9652 -1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6695 -10.4955 0.3641 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7101 -10.9359 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -9.0552 0.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 -8.7514 1.6590 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1474 -8.9245 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 -9.7276 2.6733 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8172 -10.0739 3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 -10.9040 1.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6545 -9.1034 3.3517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -7.3025 2.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 -6.4186 1.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -4.8153 1.2563 P 0 0 2 0 0 0 0 0 0 0 0 0 -2.1375 -4.3797 1.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0592 -4.3567 2.5467 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3986 -13.0383 -0.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4807 -12.0924 -3.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5361 -9.1567 -3.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0721 -9.6791 -3.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1183 -8.3836 -2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 -13.5692 -1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -8.9194 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1427 -11.0106 1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -11.8304 2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 -9.6720 4.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2812 -7.1246 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 -7.1225 3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 3.4705 2.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 3.0801 3.6254 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0178 3.7884 3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 1.7658 3.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 1.3105 3.7136 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2366 1.2607 5.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 2.6515 5.7756 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9179 3.1016 5.1506 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1519 4.1134 5.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 2.2128 5.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 2.5941 7.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 3.5767 5.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 2.7621 3.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 3.4547 1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4013 4.4728 3.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 1.9956 3.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2683 0.9561 5.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9991 0.5454 5.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 2.4355 5.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.8908 7.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9939 3.5843 7.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7993 2.2663 7.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6928 3.3493 5.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 11 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 9 27 2 0 0 0 0 7 28 2 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 8 32 1 0 0 0 0 11 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 46 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 45 49 1 0 0 0 0 45 50 1 0 0 0 0 43 51 1 0 0 0 0 39 52 1 0 0 0 0 39 53 1 0 0 0 0 39 54 1 0 0 0 0 43 55 1 0 0 0 0 44 56 1 0 0 0 0 44 57 1 0 0 0 0 48 58 1 0 0 0 0 49 59 1 0 0 0 0 49 60 1 0 0 0 0 49 61 1 0 0 0 0 50 62 1 0 0 0 0 1 26 1 0 0 0 0 1 51 1 0 0 0 0 1 63 1 0 0 0 0 M CHG 3 2 -1 25 -1 63 -1 M END $$$$ C11916_8 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 63 65 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 -5.6594 -1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7342 -5.5018 -1.9138 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6813 -4.8412 -2.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 -4.9419 -0.8396 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -4.7276 -1.1483 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0628 -6.0671 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -6.7147 -2.6561 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1600 -6.8724 -2.2819 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7091 -7.2815 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -7.7553 -1.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0797 -8.0898 -2.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5693 -5.8842 -3.8134 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2459 -6.3201 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6017 -4.6836 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7712 -6.0869 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 -4.0569 -2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 -5.9005 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -6.7241 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1877 -7.8975 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -8.7226 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -8.5496 -3.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 -7.9770 -3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 -5.7358 -4.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 9.6245 0.1254 -4.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2235 0.4892 -6.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1936 0.5514 -7.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8112 0.8787 -8.5665 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5188 1.1437 -8.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 1.0881 -7.8641 N 0 0 1 0 0 0 0 0 0 0 0 0 7.9333 0.7549 -6.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1882 1.3823 -8.1847 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8139 0.6782 -8.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3774 1.3315 -6.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 2.0926 -7.3039 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5088 1.4989 -7.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 3.3112 -8.1032 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0038 3.5670 -8.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 2.8322 -8.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 4.4297 -7.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 2.5491 -6.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 1.4096 -5.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 1.5183 -3.9210 P 0 0 2 0 0 0 0 0 0 0 0 0 3.0657 2.2912 -2.8995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 2.2682 -4.1402 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.4379 -9.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3628 0.3118 -7.0733 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5655 -0.9557 -4.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6462 0.4575 -4.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9517 0.6111 -4.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4701 0.9237 -9.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1787 0.7084 -5.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8686 3.4486 -8.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0128 2.8494 -9.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 5.2229 -7.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 3.0770 -5.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 3.2156 -6.2696 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 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 9 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 30 31 1 0 0 0 0 31 36 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 40 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 34 52 2 0 0 0 0 32 53 2 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 33 57 1 0 0 0 0 36 58 1 0 0 0 0 44 59 1 0 0 0 0 44 60 1 0 0 0 0 45 61 1 0 0 0 0 46 62 1 0 0 0 0 46 63 1 0 0 0 0 1 17 1 0 0 0 0 1 29 1 0 0 0 0 1 51 1 0 0 0 0 M CHG 3 2 -1 29 -1 50 -1 M END $$$$ C00190_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 56 58 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0197 -8.4464 -2.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 -7.5965 -1.9827 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -7.2771 -2.2204 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2365 -8.5639 -2.2205 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8034 -8.3270 -2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -9.5165 -3.2865 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6783 -9.0629 -4.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 -9.7802 -3.0039 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6823 -10.4131 -3.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 -10.4338 -1.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0638 -10.7485 -3.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3179 -9.1846 -0.9359 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -6.4061 -1.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0101 -4.3291 -2.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -4.3656 -1.3078 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 -8.6244 -2.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9492 -7.9672 -3.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9699 -6.7826 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 -10.6275 -1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 -11.4002 -3.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -8.6342 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6636 1.3705 -6.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0857 0.8604 -5.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1621 0.4517 -4.3587 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8514 0.5284 -4.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 1.0112 -5.8404 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3425 1.4363 -6.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 1.0820 -6.1344 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2334 0.6865 -4.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.2488 -5.1865 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3550 0.6423 -5.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 2.6550 -5.7706 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4343 2.8982 -6.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5826 2.5428 -6.4085 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5306 2.7304 -7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4911 3.4516 -5.7834 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.6370 -4.7324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.3521 -3.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0299 0.1557 -3.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2718 0.7910 -4.9852 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3886 1.7068 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4435 0.1007 -3.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0018 1.8229 -7.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7608 0.4503 -6.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 4.3834 -5.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 4.5387 -5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.8974 -3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 1.8812 -4.0125 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 3 4 1 0 0 0 0 5 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 10 15 1 0 0 0 0 8 16 1 0 0 0 0 7 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 7 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 29 34 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 41 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 39 44 1 0 0 0 0 37 45 1 0 0 0 0 45 46 1 0 0 0 0 32 47 2 0 0 0 0 30 48 2 0 0 0 0 29 49 1 0 0 0 0 31 50 1 0 0 0 0 34 51 1 0 0 0 0 35 52 1 0 0 0 0 43 53 1 0 0 0 0 44 54 1 0 0 0 0 45 55 1 0 0 0 0 45 56 1 0 0 0 0 1 21 1 0 0 0 0 1 28 1 0 0 0 0 1 46 1 0 0 0 0 M CHG 3 2 -1 20 -1 28 -1 M END $$$$ C00190_8 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 56 58 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 -10.2753 -1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8649 -9.3906 -2.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 -8.1462 -2.2043 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2995 -7.7499 -1.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -8.5810 -0.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 -9.8517 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -8.1214 0.1521 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2855 -6.7265 -0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -6.2634 0.9992 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5411 -6.5810 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -6.9316 2.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3643 -7.2206 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 -8.1820 1.6674 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4197 -9.0892 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2467 -8.1152 1.9071 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 -6.0532 2.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -4.7397 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 -6.6250 -1.6373 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8318 -9.7502 -2.6989 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6376 -11.2743 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7832 -7.5344 -2.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6996 -10.5125 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 -8.7254 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4883 -8.1493 2.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -6.4225 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -4.4325 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -4.4162 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0541 4.1468 6.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 2.9943 5.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 2.4813 5.9681 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4260 2.0555 7.4371 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4455 1.7051 7.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 3.2563 8.2902 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0914 4.0390 8.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 3.7879 7.7779 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4683 4.6764 8.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1921 2.7832 7.9369 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 2.8505 9.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3819 1.0039 7.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 1.3524 5.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 1.4760 3.7779 P 0 0 2 0 0 0 0 0 0 0 0 0 0.8770 2.2234 4.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 2.2599 2.7484 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 4.4854 5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 4.9417 6.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 3.2544 5.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0685 3.0504 7.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 3.5628 10.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 0.2122 7.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 15 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 8 23 2 0 0 0 0 6 24 2 0 0 0 0 5 25 1 0 0 0 0 7 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 33 40 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 38 43 1 0 0 0 0 36 44 1 0 0 0 0 35 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 35 52 1 0 0 0 0 42 53 1 0 0 0 0 43 54 1 0 0 0 0 44 55 1 0 0 0 0 1 22 1 0 0 0 0 1 49 1 0 0 0 0 1 56 1 0 0 0 0 M CHG 3 2 -1 48 -1 56 -1 M END $$$$ C00459_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 44 45 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5688 -9.6396 -1.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8874 -10.9219 -1.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6499 -12.0792 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0182 -13.2151 -0.6188 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6751 -13.2475 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -12.1547 -0.8088 N 0 0 1 0 0 0 0 0 0 0 0 0 4.5418 -10.9810 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4788 -12.2205 -0.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1782 -12.4737 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -10.9633 -1.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 -11.2749 -1.4541 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0790 -11.3840 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 -12.6180 -2.2132 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2478 -13.2508 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 -13.2565 -1.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6559 -12.3936 -3.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -10.1851 -2.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1665 -8.9646 -1.6191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 -7.6032 -2.2566 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0519 -7.2562 -3.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 -7.7927 -2.6130 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5940 -6.4061 -1.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0101 -4.3291 -2.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -4.3656 -1.3078 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 -14.2790 -0.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -12.0491 -1.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7908 -9.0509 -0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4964 -9.8701 -2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9119 -9.0702 -2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 -14.0122 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 -10.1071 -1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6129 -13.4015 -2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 -14.2030 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -13.2038 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 -10.0359 -3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -10.4889 -2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 11 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 9 31 2 0 0 0 0 7 32 2 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 8 36 1 0 0 0 0 11 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 1 30 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 M CHG 5 2 -1 25 -1 29 -1 43 -1 44 -1 M END $$$$ C00068_4 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 44 45 0 1 0 0 0 0 0999 V2000 0.4337 -0.9839 -0.4826 P 0 0 3 0 0 0 0 0 0 0 0 0 1.3484 -1.1122 0.9683 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3023 0.7152 -0.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 1.1751 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 -4.9217 -3.6307 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0176 -5.6108 -2.3728 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.2707 -2.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 -7.1628 -2.4799 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7498 -5.0736 -1.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2727 -1.2849 -0.3775 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5124 2.9302 -4.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 3.4103 -5.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 4.6545 -6.0049 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2129 5.0862 -6.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 3.6672 -6.7802 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 2.5690 -5.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1146 1.1138 -5.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 0.9960 -4.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -0.3839 -3.8478 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3448 5.5777 -5.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 5.4347 -6.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 6.1412 -7.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3156 5.9867 -8.8529 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3305 5.1807 -8.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 4.5003 -7.4902 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5045 4.6064 -6.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4091 5.0327 -9.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2806 6.9891 -8.2102 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 2.6451 -5.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8642 3.7298 -4.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2276 2.0683 -4.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 6.0714 -7.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 0.6262 -6.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0905 0.6327 -5.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 1.4836 -3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 1.4771 -4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9696 6.6011 -5.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7593 5.3446 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5972 4.0481 -5.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1874 5.7756 -9.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 4.0334 -9.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9800 5.1819 -10.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 7.0958 -7.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 7.4760 -9.0480 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 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 26 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 22 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 14 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 M CHG 5 2 -1 5 -1 8 -1 10 -1 13 1 M END $$$$ C00068_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 44 45 0 1 0 0 0 0 0999 V2000 0.3988 -0.6194 -0.9635 P 0 0 3 0 0 0 0 0 0 0 0 0 1.2526 -0.8477 -2.4390 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4635 1.0845 -1.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 1.4407 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4394 -7.2583 1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -7.3531 2.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -7.7135 3.5512 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9653 -7.7996 4.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 -7.3480 3.7752 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -7.0744 2.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4242 -6.6499 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 -5.1230 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2431 -4.7205 -0.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2334 -8.0247 3.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4992 -9.4645 3.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2651 -10.4857 4.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 -11.7430 4.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9716 -12.0247 2.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2022 -11.0843 1.9116 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9857 -9.8069 2.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2397 -13.4623 2.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 -10.1933 5.6277 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 -8.2450 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3893 -6.8879 1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0641 -6.5737 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -8.0792 5.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 -7.0109 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 -7.0697 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -4.7619 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 -4.7032 1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4641 -7.8625 4.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 -7.3769 3.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1831 -9.0436 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2676 -13.7168 2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0893 -13.6004 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 -14.1096 2.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6039 -9.2732 5.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6223 -10.9085 6.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 2.1052 2.7349 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6542 1.2530 2.6016 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 1.8533 1.4696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 1.2787 3.9597 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2696 -0.2662 2.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 -0.4735 -0.9682 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 10 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 16 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 8 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 1 13 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 M CHG 5 2 -1 7 1 39 -1 42 -1 44 -1 M END $$$$ C02739_4 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 65 68 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 -11.2657 -1.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -12.1547 -0.8088 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 -12.9642 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6845 -14.0034 0.6676 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7473 -14.5074 1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 -13.9880 1.0931 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 -13.2300 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1003 -12.5285 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9392 -11.4986 -1.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4771 -13.1516 -0.5867 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -14.2204 2.1097 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2290 -13.4865 1.7863 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9533 -13.3747 3.0308 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4658 -14.3098 3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8701 -13.0846 4.0932 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1038 -13.5966 5.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5743 -13.6538 3.4733 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1674 -14.4471 4.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6098 -12.6157 3.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7476 -11.6778 4.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9568 -12.2219 2.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9725 -12.5314 2.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1957 -11.5388 1.6725 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6327 -10.1369 1.2576 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1015 -11.3831 2.9413 O 0 5 0 0 0 0 0 0 0 0 0 0 14.0433 -12.1305 0.4952 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4788 -12.2205 -0.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8910 -10.9633 -1.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 -11.2749 -1.4541 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0790 -11.3840 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 -12.6180 -2.2132 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2478 -13.2508 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 -13.2544 -1.7132 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7190 -14.2018 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 -13.4424 -2.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6559 -12.3936 -3.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -10.1851 -2.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1665 -8.9646 -1.6191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 -7.6032 -2.2566 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0519 -7.2562 -3.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 -7.7927 -2.6130 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5940 -6.4061 -1.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0101 -4.3291 -2.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -4.3656 -1.3078 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2383 -10.4908 -2.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 -15.3794 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6159 -12.6087 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2432 -15.2856 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2904 -12.2241 4.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0809 -11.4389 4.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4416 -11.3092 2.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4123 -12.0771 3.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -12.4757 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -14.0818 -3.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -13.2038 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 -10.0359 -3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -10.4889 -2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 13 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 10 15 1 0 0 0 0 15 21 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 19 24 1 0 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 6 31 1 0 0 0 0 31 37 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 35 40 1 0 0 0 0 33 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 5 51 1 0 0 0 0 9 52 1 0 0 0 0 14 53 1 0 0 0 0 15 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 31 59 1 0 0 0 0 39 60 1 0 0 0 0 40 61 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 1 50 1 0 0 0 0 1 64 1 0 0 0 0 1 65 1 0 0 0 0 M CHG 7 2 -1 29 -1 30 -1 45 -1 49 -1 64 -1 65 -1 M END $$$$ C03494_1 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 23 22 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 -8.4038 -2.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3226 -6.8790 -2.1912 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9152 -6.5526 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -6.2524 -1.0526 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9227 -6.5789 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -4.7276 -1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 -6.6633 -1.1542 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -6.4682 -2.0896 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8961 -8.9878 -3.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 -8.7114 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7277 -8.7371 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 -4.3943 -2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -4.4201 -1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 -6.4059 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1151 -6.7255 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -9.9547 -3.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 6 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 M CHG 3 2 -1 22 -1 23 -1 M END $$$$ C06619_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 61 63 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4901 -8.6960 -2.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0197 -8.4461 -2.9737 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9495 -7.9667 -3.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 -7.5965 -1.9827 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -7.2771 -2.2204 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9699 -6.7824 -3.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -8.5639 -2.2208 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8033 -8.3270 -2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -9.5163 -3.2869 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6784 -9.0625 -4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -9.7800 -3.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 -10.7828 -3.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3179 -9.1849 -0.9363 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -6.4061 -1.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 2 0 0 0 0 0 0 0 0 0 0.0101 -4.3291 -2.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -4.3656 -1.3078 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5602 -9.1754 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0244 -7.7462 -2.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 -9.3445 -3.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -10.2790 -2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 -10.4126 -3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -11.4278 -3.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9464 -10.6251 -3.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -8.6347 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6601 -0.0149 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1785 0.4878 -4.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1054 0.8980 -5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 1.3438 -6.5276 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3284 1.3980 -6.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 1.0112 -5.8404 N 0 0 1 0 0 0 0 0 0 0 0 0 6.8575 0.5478 -4.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 1.0820 -6.1344 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7604 0.4487 -6.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 0.6865 -4.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.2488 -5.1865 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3550 0.6423 -5.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 2.6550 -5.7706 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4343 2.8982 -6.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 2.5424 -6.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.6370 -4.7324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.3521 -3.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9333 1.8026 -7.8476 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3019 0.8490 -5.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8096 -1.0934 -3.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6023 0.4712 -2.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 0.2139 -2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2798 1.6269 -7.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 0.2353 -3.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 3.2363 -5.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 2.7279 -7.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 4.5387 -5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 1.8974 -3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 1.8812 -4.0125 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 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 11 17 1 0 0 0 0 9 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 32 33 1 0 0 0 0 33 38 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 46 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 42 48 1 0 0 0 0 48 49 1 0 0 0 0 36 50 2 0 0 0 0 34 51 2 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 35 55 1 0 0 0 0 38 56 1 0 0 0 0 46 57 1 0 0 0 0 46 58 1 0 0 0 0 47 59 1 0 0 0 0 48 60 1 0 0 0 0 48 61 1 0 0 0 0 1 22 1 0 0 0 0 1 31 1 0 0 0 0 1 49 1 0 0 0 0 M CHG 3 2 -1 21 -1 31 -1 M END $$$$ C06619_8 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 61 63 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1016 -7.2195 -3.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4024 -8.1481 -2.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 -9.4765 -2.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -10.2893 -1.1443 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1521 -9.8411 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -8.5810 -0.6120 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.3277 -7.7262 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -8.1214 0.1521 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6699 -8.7241 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2855 -6.7265 -0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -6.2634 0.9992 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5411 -6.5810 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -6.9316 2.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3643 -7.2206 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 -8.1848 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 -6.0532 2.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -4.7397 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 -10.5853 0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8246 -9.8811 -2.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6523 -7.3126 -4.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1581 -7.4821 -3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 -6.1922 -2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5257 -11.2007 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9619 -6.7175 -1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9118 -8.1353 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 -9.0923 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -6.4225 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -4.4325 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -4.4162 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 4.6223 5.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 4.1469 6.2956 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3173 4.9419 6.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 2.9943 5.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 2.4813 5.9681 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6009 3.2544 5.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 2.0558 7.4372 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4454 1.7053 7.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8461 3.2568 8.2901 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0912 4.0394 8.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 3.7886 7.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 2.8399 9.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3819 1.0043 7.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 1.3524 5.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 1.4760 3.7779 P 0 0 2 0 0 0 0 0 0 0 0 0 0.8770 2.2234 4.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 2.2599 2.7484 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1430 3.8273 5.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3108 4.8770 4.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7291 5.5012 6.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 3.0224 7.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4678 4.6773 8.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 3.6159 10.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 2.4204 10.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 0.2125 7.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 11 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 9 23 2 0 0 0 0 7 24 2 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 8 28 1 0 0 0 0 11 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 45 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 41 47 1 0 0 0 0 39 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 45 56 1 0 0 0 0 45 57 1 0 0 0 0 46 58 1 0 0 0 0 46 59 1 0 0 0 0 47 60 1 0 0 0 0 1 22 1 0 0 0 0 1 52 1 0 0 0 0 1 61 1 0 0 0 0 M CHG 3 2 -1 51 -1 61 -1 M END $$$$ C04573_8 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 64 66 0 1 0 0 0 0 0999 V2000 0.7571 -0.0512 0.0886 P 0 0 3 0 0 0 0 0 0 0 0 0 1.6560 -0.0904 -1.3773 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8690 1.6650 0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 1.9996 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 -10.6875 -0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 -10.0584 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5462 -10.3147 1.4307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 -9.2111 0.8392 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -8.5996 2.1656 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5956 -8.4614 2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 -7.2423 2.0450 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1450 -6.7699 3.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 -7.4319 1.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2537 -8.2363 2.3794 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3301 -7.7769 3.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 -9.6336 2.5134 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2528 -10.2350 3.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2233 -9.5107 3.0803 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2666 -9.0803 4.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -10.8032 3.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5922 -10.2580 1.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6267 -8.3447 1.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8444 -7.8624 0.6693 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 -8.9146 2.3711 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3616 -6.4063 1.1492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3236 -4.8020 1.2787 P 0 0 2 0 0 0 0 0 0 0 0 0 -1.7670 -4.2510 1.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -4.4083 2.5979 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4877 -4.1821 0.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -11.3375 -0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0496 -11.2738 -0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 -9.9060 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9393 -9.0061 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0874 -11.4329 3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 -10.3643 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 0.9386 10.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.5527 10.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0568 0.2280 9.1977 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0087 0.2708 8.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 0.6359 8.5458 N 0 0 2 0 0 0 0 0 0 0 0 0 2.6114 0.9729 9.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2834 0.6726 7.4898 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0938 -0.0194 7.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 0.3486 6.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 0.8825 5.2258 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4614 0.2240 5.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0439 2.2485 5.7952 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0949 2.4326 5.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 2.1067 7.3209 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7778 2.2187 7.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 3.0653 7.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 3.2984 5.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 1.0681 3.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 -0.2097 3.3585 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -0.0250 7.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 0.5139 11.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 1.2064 11.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -0.0377 8.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 1.2652 10.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 3.9831 7.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 4.1786 5.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 1.6668 4.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5481 1.5762 3.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0933 0.2012 -0.0147 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 8 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 36 41 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 49 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 47 52 1 0 0 0 0 45 53 1 0 0 0 0 53 54 1 0 0 0 0 39 55 2 0 0 0 0 37 56 2 0 0 0 0 36 57 1 0 0 0 0 38 58 1 0 0 0 0 41 59 1 0 0 0 0 51 60 1 0 0 0 0 52 61 1 0 0 0 0 53 62 1 0 0 0 0 53 63 1 0 0 0 0 1 29 1 0 0 0 0 1 54 1 0 0 0 0 1 64 1 0 0 0 0 M CHG 4 2 -1 24 -1 28 -1 64 -1 M END $$$$ C02739_6 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 65 68 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8762 -0.0004 1.4833 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 -4.3225 -2.6081 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6804 -4.8016 -1.2911 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -4.3595 -1.3081 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 -6.3629 -1.1931 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -0.0547 0.0373 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1718 1.1830 -6.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 1.0881 -7.8641 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5392 0.6720 -8.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5365 0.4179 -10.0557 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5948 -0.1216 -10.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6912 -0.5151 -9.8979 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9460 0.0821 -8.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7170 0.5251 -7.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 0.8461 -6.7146 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1498 0.2327 -8.1603 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5871 -1.5475 -10.4250 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6081 -1.8698 -9.4557 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0952 -3.1751 -9.8360 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7808 -3.0934 -10.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8316 -3.9644 -10.2446 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0446 -4.6131 -11.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -2.8689 -10.6410 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5279 -2.9762 -11.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6665 -2.9221 -9.7946 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3412 -4.7299 -9.1421 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7882 -3.8510 -8.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9763 -3.1295 -8.3194 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9571 -3.5604 -7.1176 P 0 0 0 0 0 0 0 0 0 0 0 0 15.1372 -3.6661 -5.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6042 -4.9493 -7.4441 O 0 5 0 0 0 0 0 0 0 0 0 0 17.0844 -2.4850 -6.9524 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1882 1.3823 -8.1847 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3774 1.3315 -6.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 2.0926 -7.3039 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5088 1.4989 -7.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 3.3112 -8.1032 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0038 3.5670 -8.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0473 2.8331 -8.6960 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0128 2.8525 -9.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1228 3.6408 -8.2134 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 4.4297 -7.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 2.5491 -6.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 1.4096 -5.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 1.5183 -3.9210 P 0 0 2 0 0 0 0 0 0 0 0 0 3.0657 2.2912 -2.8995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 2.2682 -4.1402 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8999 0.0402 -3.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6692 1.4937 -5.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5993 -0.2624 -11.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2661 0.6554 -7.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0397 -1.2151 -11.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1456 -3.7312 -9.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5481 -5.2455 -9.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1161 -3.8584 -7.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0479 -4.8754 -8.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 0.6795 -8.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 4.5622 -8.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 5.2229 -7.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 3.0770 -5.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 3.2156 -6.2696 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 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 11 19 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 2 0 0 0 0 16 21 1 0 0 0 0 21 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 25 30 1 0 0 0 0 23 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 12 37 1 0 0 0 0 37 43 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 41 46 1 0 0 0 0 39 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 11 53 1 0 0 0 0 15 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 37 61 1 0 0 0 0 45 62 1 0 0 0 0 46 63 1 0 0 0 0 47 64 1 0 0 0 0 47 65 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 52 1 0 0 0 0 M CHG 7 2 -1 5 -1 8 -1 10 -1 35 -1 36 -1 51 -1 M END $$$$ C01806_7 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 46 48 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 3 0 0 0 0 0 0 0 0 0 0.8477 0.0156 -1.4956 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -7.7955 -1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -8.5810 -0.6120 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.9956 -9.8764 -0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -11.0523 -0.7252 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 -12.1734 -1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 -12.1959 -1.8896 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 -11.0473 -2.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1923 -9.8335 -1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -8.5345 -1.7435 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -11.0570 -2.7885 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -13.3553 -0.9262 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -8.1214 0.1521 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6699 -8.7241 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2855 -6.7265 -0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -6.2634 0.9992 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5411 -6.5810 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -6.9316 2.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3643 -7.2206 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 -8.1848 1.6675 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4174 -9.0923 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 -8.1199 1.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 -6.0532 2.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 -4.7397 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -4.1436 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -6.7217 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 -13.0406 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 -13.3552 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6302 -14.1907 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 -8.1558 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -6.4225 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -4.4325 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -4.4162 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 3.6761 5.8789 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2785 2.3457 6.4004 P 0 0 0 0 0 0 0 0 0 0 0 0 4.3477 1.4945 7.6674 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8687 2.7440 7.0683 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0228 1.3524 5.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 1.4760 3.7779 P 0 0 2 0 0 0 0 0 0 0 0 0 0.8770 2.2234 4.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 2.2599 2.7484 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8926 0.0040 3.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.0566 0.0386 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 5 13 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 9 15 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 21 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 5 29 1 0 0 0 0 10 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 27 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 1 28 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 M CHG 5 2 -1 37 -1 40 -1 44 -1 46 -1 M END $$$$ C04573_10 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 64 66 0 1 0 0 0 0 0999 V2000 -0.5579 -0.2959 -0.3824 P 0 0 3 0 0 0 0 0 0 0 0 0 0.2084 -0.3782 1.1553 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5569 1.4216 -0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 1.8110 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -10.3539 -3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 -9.4553 -3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 -8.2350 -3.3392 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -7.8755 -2.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -8.7202 -2.8559 N 0 0 2 0 0 0 0 0 0 0 0 0 1.6154 -9.9674 -3.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2052 -8.3008 -2.2920 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0829 -8.9609 -1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 -6.9337 -1.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0891 -6.4769 -1.7735 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5776 -6.8570 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 -7.0628 -3.0379 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7792 -7.3696 -2.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -8.2932 -3.3863 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4774 -9.2072 -3.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -8.1393 -4.6791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -6.1103 -4.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 -4.9481 -1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 -4.4301 -0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 -6.7720 -2.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9724 -9.7815 -4.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -11.3339 -4.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4745 -7.6139 -3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 -10.6392 -3.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 -8.1279 -5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1389 -6.4262 -4.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 -4.5804 -2.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1797 -4.6216 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -0.2817 -0.6120 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9228 -0.8704 -9.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 0.3553 -8.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 0.6960 -9.6994 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3056 1.0729 -7.7954 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4978 2.2645 -7.5235 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5004 2.1318 -7.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 2.4773 -6.0110 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7587 3.3403 -5.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6966 2.7071 -5.4723 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3477 3.8669 -5.9949 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7389 4.7480 -5.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5310 3.7099 -7.5067 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9875 4.6120 -7.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1618 3.4893 -8.1602 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5361 4.3675 -8.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 3.2678 -9.5619 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3739 2.5868 -7.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 4.0252 -5.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1028 3.1716 -4.5696 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 5.0069 -5.5772 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8246 1.3151 -5.4045 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 1.3714 -4.0619 P 0 0 2 0 0 0 0 0 0 0 0 0 2.7377 2.0793 -2.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 2.1546 -4.3378 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5751 -0.1261 -3.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 -1.3151 -10.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 -0.5899 -9.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 -1.5926 -8.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 0.8005 -7.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 4.0049 -10.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 2.6575 -7.3833 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 3 4 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 2 0 0 0 0 6 25 2 0 0 0 0 5 26 1 0 0 0 0 7 27 1 0 0 0 0 10 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 47 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 45 50 1 0 0 0 0 43 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 40 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 37 62 1 0 0 0 0 49 63 1 0 0 0 0 50 64 1 0 0 0 0 1 23 1 0 0 0 0 1 33 1 0 0 0 0 1 58 1 0 0 0 0 M CHG 4 2 -1 33 -1 53 -1 57 -1 M END $$$$ C05381_7 -OEChem-07010511023D CORINA 3.20 0026 11.05.2005 57 58 0 1 0 0 0 0 0999 V2000 1.1373 -0.6260 -0.0489 P 0 0 3 0 0 0 0 0 0 0 0 0 2.0345 -0.7782 -1.5085 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3530 1.0799 -0.0943 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2783 1.3600 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 -7.5831 0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2007 -7.4265 1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 -8.4377 2.2294 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8112 -8.3343 3.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0969 -7.1348 3.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5021 -6.1029 2.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5442 -6.2842 1.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -6.9707 4.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8528 -7.9063 3.6176 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3661 -7.4687 2.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 -7.2022 2.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5222 -7.5871 3.9667 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -8.0628 4.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4807 -8.5294 6.0008 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0142 -7.4940 7.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4916 -7.9058 8.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 -6.8859 9.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -5.9193 9.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3095 -7.0274 10.6089 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8436 -9.7811 6.2642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2638 -6.7161 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -5.1928 1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 -4.7318 0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -7.2923 1.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4445 -9.3992 3.8608 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0458 -7.9715 -0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0982 -8.2771 0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8601 -6.6142 0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9741 -5.1608 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5409 -5.9488 3.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2188 -7.1798