60192492 -OEChem-04192422453D 69 74 0 1 0 0 0 0 0999 V2000 -6.8064 2.3991 -1.9795 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9461 2.3245 -2.7793 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 -2.1373 2.6566 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 2.1008 1.4364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9203 -4.9151 -1.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9071 1.6813 0.1171 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 0.0389 1.4646 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 -3.0790 0.2705 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1361 0.2395 0.6701 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 0.4466 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 1.4482 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7617 1.1470 1.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 -1.0465 0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6957 0.6356 2.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5605 -1.8337 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9113 -1.4379 1.2331 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6144 -1.8207 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 3.0149 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 -3.1015 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 -2.1865 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 0.8916 1.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 -1.5989 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 -4.2034 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7997 3.1894 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 -4.1580 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7179 -2.6479 -0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 -3.9081 -1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6284 2.7033 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3534 3.8380 1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1095 0.7722 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0108 2.8653 -1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7356 4.0004 1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5645 3.5138 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1694 -0.0249 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 2.0938 -0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2894 -6.1829 -1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1273 0.4994 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9662 2.6181 -1.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0257 1.8209 -1.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 1.0317 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 2.3254 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6271 1.9227 2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 0.5006 1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8463 1.6949 2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 0.1260 2.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 -1.6620 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 3.7467 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0153 3.2768 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -3.2407 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 -1.7399 3.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4291 -0.6290 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9671 -4.7103 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 -3.8672 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9466 -4.8817 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 -5.1198 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7556 -2.4671 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -0.7373 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 -2.6099 3.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2093 2.1961 -1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7196 4.2196 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1668 4.5048 1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6407 3.6399 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2602 -1.0562 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 2.7526 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0373 -6.8621 -2.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9799 -6.6093 -0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4644 -6.1322 -2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 -0.1209 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 3.6452 -1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 39 1 0 0 0 0 3 20 1 0 0 0 0 3 58 1 0 0 0 0 4 21 2 0 0 0 0 5 27 1 0 0 0 0 5 36 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 9 21 1 0 0 0 0 9 30 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 25 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 22 26 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 28 31 1 0 0 0 0 28 59 1 0 0 0 0 29 32 2 0 0 0 0 29 60 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 37 1 0 0 0 0 34 63 1 0 0 0 0 35 38 2 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 39 2 0 0 0 0 37 68 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 M END > 60192492 > 1 > 1 117 70 29 91 87 7 26 165 167 138 86 161 73 159 144 71 62 134 24 125 72 103 65 152 74 112 66 98 163 61 32 146 121 80 124 120 164 11 127 90 99 53 129 140 38 43 13 96 135 105 107 56 51 12 93 69 143 35 75 40 94 168 166 147 155 132 9 100 10 37 171 21 172 110 67 84 31 79 34 49 126 27 131 102 48 116 137 158 169 41 160 149 14 76 28 106 63 104 57 118 23 92 145 97 25 113 114 5 54 156 142 20 130 153 95 8 101 59 111 58 162 83 50 52 115 123 141 82 30 122 42 139 128 157 148 78 16 4 46 17 33 170 154 77 36 60 39 15 108 88 55 173 151 89 45 119 3 68 136 22 47 133 150 19 6 18 109 64 2 44 81 85 > 51 1 -0.19 10 0.16 11 0.21 12 0.21 13 -0.16 14 0.3 15 -0.33 16 0.48 18 0.41 19 -0.15 2 -0.19 20 0.28 21 0.69 22 -0.15 23 0.26 24 -0.14 25 -0.15 26 -0.15 27 0.08 28 -0.15 29 -0.15 3 -0.68 30 0.12 31 0.19 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 0.28 37 -0.15 38 -0.15 39 0.19 4 -0.57 5 -0.36 51 0.15 55 0.15 56 0.15 57 0.37 58 0.4 59 0.15 6 -0.69 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 68 0.15 69 0.15 7 -0.66 8 0.05 9 -0.55 > 8.2 > 13 1 3 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 1 6 cation 1 8 cation 1 9 donor 4 6 10 11 12 rings 5 8 13 15 17 19 rings 6 17 19 22 25 26 27 rings 6 24 28 29 31 32 33 rings 6 30 34 35 37 38 39 rings 6 7 10 13 14 15 16 rings > 39 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 039676EC00000001 > 126.5438 > 66.157 > 10190206 1 18336262452548796772 10794284 68 18190762988482635627 11410812 94 18338525261471879476 11445158 3 17685197392475111583 11621639 254 17828786245615984556 11991303 11 18409166602089459053 12788726 201 18337944718166426842 13540713 4 17773586303910075936 13540713 5 18188192257203577218 13690498 29 18198628928336594607 13692115 46 18200600314494566799 13757389 114 18412552032941413701 13911987 19 18340487747408242393 14114211 80 18270409265420050889 14294032 229 18339655511151463873 14556957 393 17973456674094108756 14790565 3 18269825425125263105 14930077 153 18190471647459994812 15198563 99 18196091264558815927 15392192 104 18266467508568024169 15444296 8 18056764462475327759 15705408 1 16902135008436734351 16090146 7 17915181208928313450 18365409 1 18411418445190668341 19319366 153 17626637455494549569 21033650 10 18190175865994511786 21365058 27 18270688559001527397 21583282 1 17823146631348958254 21772528 278 18341614772654142949 27425 322 17749389204739361994 3103668 31 18268423711071948391 3388396 114 17397848137760707676 3552219 110 15289335515522837816 44426701 291 15122927643495243725 563151 40 18410015425029204971 6036956 94 17611486502896945372 6058803 2 18189032288277118586 6703917 75 18271818882761803225 6898599 12 18410862091911465348 9658208 31 18272920622738907280 > 750.52 16.72 7.74 2.08 17.25 9.07 -0.24 -22.1 11.88 -14.07 3.2 2.37 0.07 -5.02 > 1653.548 > 407.6 > 2 5 10 $$$$