60188430 -OEChem-04192403553D 81 85 0 1 0 0 0 0 0999 V2000 6.7752 -2.1449 -1.4177 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7423 -2.7582 -0.9495 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0876 -1.1215 -2.3302 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 1.6351 0.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0944 0.9920 -1.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 1.0134 -4.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 1.1990 -2.0474 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5012 0.9711 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.1401 -1.8355 -1.3618 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 1.9014 -1.2289 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3929 1.6489 0.3045 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4811 0.8600 -1.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 2.7310 1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 2.3892 -2.8194 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8078 1.8674 -1.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6408 -0.7292 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 0.5306 -1.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 -1.1061 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 0.9124 1.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4089 -0.2098 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -2.4640 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6132 0.7541 2.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9944 -2.8918 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2559 2.0370 -3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8341 3.4598 -1.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 1.4331 1.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 3.7302 1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 -1.9329 -2.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7737 -0.3198 1.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 -3.3718 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 1.6094 3.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5087 -4.1841 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 0.7953 1.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3548 0.5319 2.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9198 -4.6673 1.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5806 1.4980 3.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 -5.0654 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3172 -0.1052 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4934 1.1050 2.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -0.6960 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6915 0.5140 1.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 -0.3863 0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5273 -1.6593 -1.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 2.9031 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 0.6482 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 0.7645 -3.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 -0.1096 -1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 2.8076 2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8956 3.7017 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 2.7672 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 1.9382 -2.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4095 2.7191 -1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 0.9353 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 1.4455 2.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 -0.0756 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2263 1.6930 -3.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4344 2.9148 -4.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 3.2748 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 4.4235 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 3.5852 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.7998 2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 0.6221 1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0494 4.5257 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 3.5920 1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 4.0902 2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 -2.9046 -3.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -1.1624 -3.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8471 -1.8433 -2.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -1.0628 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 -3.0764 2.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 2.3707 3.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 -4.5025 -1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4123 0.4443 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -5.3695 2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0336 2.1653 4.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1059 -6.0762 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 0.8303 -5.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3922 -0.3688 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 1.8049 2.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6157 0.7553 2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6462 -0.8353 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 2 43 1 0 0 0 0 3 43 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 5 17 2 0 0 0 0 6 24 1 0 0 0 0 6 77 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 44 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 29 2 0 0 0 0 21 23 1 0 0 0 0 21 30 2 0 0 0 0 22 31 2 0 0 0 0 23 32 2 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 33 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 34 1 0 0 0 0 29 69 1 0 0 0 0 30 35 1 0 0 0 0 30 70 1 0 0 0 0 31 36 1 0 0 0 0 31 71 1 0 0 0 0 32 37 1 0 0 0 0 32 72 1 0 0 0 0 33 38 2 0 0 0 0 33 39 1 0 0 0 0 34 36 2 0 0 0 0 34 73 1 0 0 0 0 35 37 2 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 40 1 0 0 0 0 38 78 1 0 0 0 0 39 41 2 0 0 0 0 39 79 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 M END > 60188430 > 1 > 1 9 78 93 64 33 92 94 95 41 89 77 91 60 11 12 96 24 35 5 51 29 43 48 42 27 21 86 25 65 97 68 8 72 19 4 69 3 17 47 81 66 85 62 73 40 32 28 15 90 79 84 2 83 53 54 57 80 74 14 18 88 56 52 61 70 38 71 16 37 34 58 59 49 45 10 87 44 6 30 31 82 20 36 75 67 39 22 7 50 76 46 63 26 55 23 13 > 52 1 -0.34 11 0.28 12 0.3 13 0.27 14 0.3 16 -0.24 17 0.71 18 -0.05 19 0.42 2 -0.34 20 0.05 22 -0.14 23 -0.15 24 0.28 26 0.41 27 0.27 28 0.26 29 -0.15 3 -0.34 30 -0.15 31 -0.15 32 -0.15 33 -0.14 34 -0.15 35 -0.15 36 -0.15 37 -0.15 38 -0.15 39 -0.15 4 -0.56 40 -0.14 41 -0.15 42 -0.15 43 1.16 5 -0.57 6 -0.68 69 0.15 7 -0.66 70 0.15 71 0.15 72 0.15 73 0.15 74 0.15 75 0.15 76 0.15 77 0.4 78 0.15 79 0.15 8 -0.81 80 0.15 81 0.15 9 0.05 > 8.2 > 10 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 6 donor 1 8 cation 1 9 cation 5 9 16 18 21 23 rings 6 20 22 29 31 34 36 rings 6 21 23 30 32 35 37 rings 6 33 38 39 40 41 42 rings > 43 > 3 > 0 > 0 > 0 > 0 > 1 > 1 > 0396670E00000001 > 126.4936 > 50.837 > 10305334 12 17773895111757730995 10928967 22 18040994072898915682 11135926 11 18200590436698253624 11387372 6 18271822181080045170 11578080 2 17831027832524473449 12128747 34 17774736293818742786 12156800 1 15939531407623873281 12608794 3 18335991930113152341 12741549 16 13099799722421696623 1361 87 18342741768125786174 14020679 6 17772774696333999898 14918310 93 14290821319127672784 15274700 34 17416699123317418543 15444296 8 16733281100919722547 17974551 9 17774729756788574722 20764821 26 17977641144761638074 21857420 4 10409087562772306159 22907989 373 12902363842594875611 3383291 50 18114449116135008391 3886686 26 18270135585587481923 5080951 261 18266157578794005178 508706 21 18261940934389881966 > 830.55 13.27 5.17 4.2 27.33 5.65 1.81 2.31 -4.87 -3.01 0.98 -5.16 -2.88 3.18 > 1797.875 > 457.9 > 2 5 10 $$$$