68684146 -OEChem-04182402103D 66 70 0 1 0 0 0 0 0999 V2000 4.2049 6.5631 -0.7460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -10.7396 -1.8967 -0.0625 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1928 0.0363 0.8501 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9645 -6.3371 -1.5085 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 0.4057 0.5669 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 2.5945 -0.0372 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3797 -2.0941 1.1432 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1515 -4.2315 -0.2574 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2430 -3.6247 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 -1.6536 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 -3.7750 -1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4492 -2.2541 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 -1.4087 0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1007 -5.7573 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1669 0.9096 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4653 2.2359 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 3.0651 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.7390 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9537 1.2906 0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 4.3993 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0078 4.0761 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9325 4.9070 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 0.7897 0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 1.5248 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8965 1.0126 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 -0.1701 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8941 1.7104 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5122 0.0429 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5145 -0.6549 0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 1.2255 -0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8688 -0.4595 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3456 -1.1997 1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6996 -0.2049 -1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6532 -1.6853 1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0071 -0.6905 -1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4839 -1.4307 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -1.7799 2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2217 -3.8811 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -3.9174 1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1161 -4.0469 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 -1.9815 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -0.5630 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2662 -4.1961 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 -4.1385 -2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3445 -1.9762 -1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5931 -1.8317 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2773 -1.7442 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7514 -1.6834 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -6.0738 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 -6.1497 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 0.3959 1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 -6.0073 -1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8753 -7.3491 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 2.1164 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 5.0590 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 4.4546 -0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 -0.2695 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 2.5787 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 -0.7386 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 2.6367 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7035 -1.5931 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 1.8186 -1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7461 -1.3969 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 0.3397 -2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0276 -2.2559 1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6527 -0.4986 -1.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 36 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 3 51 1 0 0 0 0 4 14 1 0 0 0 0 4 52 1 0 0 0 0 4 53 1 0 0 0 0 5 15 2 0 0 0 0 5 19 1 0 0 0 0 6 17 1 0 0 0 0 6 19 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 54 1 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 23 24 2 3 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 59 1 0 0 0 0 27 30 2 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 M END > 68684146 > 1 > 3 19 8 33 18 27 36 21 20 12 13 42 28 26 15 16 17 22 11 6 37 32 34 35 14 29 2 10 24 38 31 4 40 9 41 25 23 39 1 30 7 5 > 43 1 -0.18 13 0.37 14 0.27 15 0.41 17 0.31 18 -0.15 19 0.65 2 -0.19 20 -0.15 21 -0.15 22 0.18 23 -0.18 24 -0.18 25 0.03 26 -0.15 27 -0.15 29 -0.15 3 -0.87 30 -0.15 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 0.19 4 -0.99 5 -0.62 51 0.4 52 0.36 53 0.36 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.62 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 66 0.15 > 8.2 > 10 1 3 donor 1 4 cation 1 4 donor 3 3 5 15 cation 3 5 6 19 cation 6 16 17 18 20 21 22 rings 6 25 26 27 28 29 30 rings 6 31 32 33 34 35 36 rings 6 5 6 15 16 17 19 rings 6 7 8 9 10 11 12 rings > 36 > 0 > 2 > 0 > 1 > 0 > 1 > 3 > 0418097200000003 > 106.6906 > 50.928 > 10319688 140 18410295826538644844 10411042 1 18264202518624175800 10951579 204 16371272334956001629 11607047 191 17271146946922949592 11621639 208 18191030199267477362 117089 54 18338520724878391523 12522641 68 17616827965098146020 13008946 119 17838889688477458296 13008946 170 18128805520847747088 1361 4 18266456689054339763 13782708 43 18187081715983259103 14118638 360 18341900727118725753 14675020 138 15123511401916236941 150020 25 17894904149565952119 15152005 1 18054789481789549390 15328684 2 17417547856119945259 15467298 65 18056183902998730935 15890870 6 17901952168866352228 16990366 60 18189609446092942858 19301679 30 18059579027184319169 19315958 150 18189617314673150881 2026 5 18340765923750005055 20982279 24 17968957327260321539 21057603 323 17041486584535962868 21130935 74 18411139169490290657 22899556 105 18196105344453798374 23523788 1 17979043057238296778 24771750 20 18188781668946582660 255183 451 18411420571036130876 2835820 82 18411419488525153987 3504750 166 18130783431376920997 4073 2 17751640094753424529 45270241 37 18263365957236409125 6441014 3 17762616192805786306 9555976 147 17416696747999765185 9831232 110 18336260150430540406 9962374 69 18340477949991195215 > 715.54 29.33 8.6 1.08 79.61 0.35 0.1 -27.66 2.85 -30.1 2.96 -0.13 -0.79 1.67 > 1552.148 > 391.4 > 2 5 10 $$$$