60468843 -OEChem-04262405033D 56 58 0 1 0 0 0 0 0999 V2000 0.1631 1.4522 2.4514 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 -1.6194 1.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4813 1.7599 -1.8423 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8061 0.6876 -0.3351 N 0 0 1 0 0 0 0 0 0 0 0 0 1.1475 -1.3944 -0.7802 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3868 1.4758 -0.1239 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1119 1.1033 -0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 1.7446 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 -0.5503 -0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2221 0.2865 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 1.6169 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 -1.2533 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5936 0.7146 -0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 1.6264 1.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4783 1.3802 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -1.9931 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 1.2212 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -2.0591 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 -2.5217 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 1.5702 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -2.6534 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 0.7202 1.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 -1.5014 -2.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 -3.1160 1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3739 -3.1817 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 1.4183 -0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 0.5685 1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6594 0.9173 0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8939 1.5800 -1.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1585 1.0304 -1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3038 2.1547 -0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 1.7893 -1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 2.7300 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 -0.3771 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1898 -1.2756 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 0.4140 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 -0.7841 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3757 0.1233 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7807 1.7703 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6805 0.5684 -1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 1.7240 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -1.0272 -1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -2.5107 1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 1.9648 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2415 -2.7116 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 0.4031 2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9392 -0.4334 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 -2.0325 -3.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 -1.6032 -2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 -3.5265 2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -3.6427 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6508 0.1715 2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7328 0.7719 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1962 1.9021 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4278 2.2153 -1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1718 0.5247 -1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 12 2 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 42 1 0 0 0 0 6 11 1 0 0 0 0 6 15 2 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 2 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 43 1 0 0 0 0 20 26 1 0 0 0 0 20 44 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 22 27 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M END > 60468843 > 1.4 > 1 57 104 80 48 63 62 31 147 21 65 105 64 39 125 41 81 36 69 88 123 4 85 19 119 140 133 146 14 13 40 8 38 56 90 12 11 121 45 135 111 108 84 101 9 107 136 2 50 58 149 73 30 75 129 7 17 97 143 116 103 44 83 55 22 51 18 99 92 68 16 134 46 86 79 23 72 114 91 127 130 78 77 145 110 52 82 33 137 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17488470676316223416 13140716 1 18198914780507595808 13583140 156 17749400264311797657 13947920 75 17346309389106181276 14251751 93 18335426806536936393 14787075 74 18131069277475018888 14931854 50 18131063788649597269 17492 54 18200867392629948333 21236236 1 18341620381896767870 23227448 37 18335431200151388534 23559900 14 18060136600625150528 238 59 18267010666746739393 3383291 50 17703789257843228975 350125 39 18269565003645363411 4015057 19 17489302040214229240 44802255 64 18113905961448367030 484989 97 18057878233684942583 5171179 24 17415836057970246136 6669772 16 18339369560645296406 70251023 43 17120576104835182999 7226269 152 18272374170271691160 > 573.97 11.55 3.4 2.02 14.98 2.79 -0.05 -6.54 5.47 -2.53 -0.52 -1.85 -0.28 0.8 > 1203.953 > 327.6 > 2 5 10 $$$$