41165089 -OEChem-04182410293D 54 57 0 1 0 0 0 0 0999 V2000 -0.6155 -2.3954 -1.7973 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5117 -0.2302 0.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8528 -2.3092 0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3573 2.4170 0.4631 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 1.4876 0.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 0.2491 -0.3597 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0432 0.0097 -1.0421 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -0.7120 -0.7338 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2992 0.6205 -1.5694 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7609 0.2412 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7278 0.1322 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 0.0930 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1916 2.1217 -1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1308 0.0776 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8111 -0.0048 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1605 -0.0908 2.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 0.2676 -1.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5635 -0.1759 2.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -0.2202 2.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 -0.5557 -1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 -1.8522 -2.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0173 -0.8691 -1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9435 0.4200 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 0.2929 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2045 1.4289 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9494 -0.9633 0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3119 -1.0833 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5672 1.3088 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1208 0.0527 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9689 -3.4284 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7269 3.6699 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 0.0551 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4851 0.9818 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 -0.7386 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5239 2.7225 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1603 2.4113 -2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8053 2.3909 -2.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 0.0093 0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 -0.1222 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9391 -0.0135 -2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 1.3287 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3942 -0.2840 3.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0712 -0.3576 4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7589 -2.4883 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8919 -1.5247 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7318 2.3833 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2928 -1.8235 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1827 -0.0409 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5701 -4.3212 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2098 -3.3726 1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 -3.5593 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 4.4404 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3182 3.7103 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9769 3.9108 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 23 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 20 1 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 17 20 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 21 44 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 25 28 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END > 41165089 > 1 > 1 96 63 131 52 57 168 137 103 53 44 134 145 6 171 92 66 93 21 75 144 83 70 18 77 117 154 192 109 140 105 112 132 65 100 17 9 187 153 146 128 156 191 126 167 173 15 123 72 87 158 55 130 32 47 142 189 81 34 143 69 74 5 61 23 150 50 35 39 49 118 176 106 64 76 175 58 12 186 99 149 182 38 54 116 180 26 43 188 91 37 172 48 11 62 193 194 60 24 33 97 31 178 73 113 190 148 7 79 27 152 165 129 84 95 121 111 164 36 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16805322198083504324 13560911 23 18261115197104904993 13673619 4 15213013835193749758 13685833 64 14345798236040402732 13690498 29 9439393615642007585 13782708 43 14996548570033418890 13878862 14 15051727608703334290 14294032 229 18201999962394214199 14461889 52 18343029903832063439 14598715 104 17988638558899564225 15289351 153 17346036641788047330 15352257 5 15430034353551825650 1577012 14 17967537878120677524 16994733 274 13901914396839043747 20157964 124 14836409134160062372 2026 5 13190341262522079705 20554085 129 18060415794520214638 20567600 254 17704349948785757199 21033648 29 18059855060379248788 23522609 53 17459776815655071325 23559900 14 18124053251783640871 23569943 247 16009293332408687961 249999 5 17987242140309246302 2838139 119 15410621371482286170 3633792 109 12535360012965837308 3663271 9 17894916256045109433 397638 26 18060699498263243963 437815 12 13479132406398502551 4403749 210 18060413634552715199 5385378 56 17989208106028390446 54039377 194 16588575415566691562 58083652 198 17677037053322963972 59682541 35 17632301215993913067 6695519 79 17631192873876953543 6698420 124 15769230426182495831 > 603.39 26.94 2.57 2.19 3.45 0.15 -0.66 7.88 -14.08 8.13 0.35 -5.47 -0.43 0.44 > 1295.395 > 336.9 > 2 5 10 $$$$