68703689 -OEChem-04192404153D 48 50 0 0 0 0 0 0 0999 V2000 1.6058 -1.5109 0.8149 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7189 -1.9636 0.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 -2.1251 -0.4894 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4303 2.1487 0.0638 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3941 -1.1724 -2.7514 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2215 -0.2493 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7751 -1.2144 1.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 -0.6996 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 -1.1925 2.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2961 1.1105 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 2.0199 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9689 0.2099 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0435 1.5694 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4857 -2.1504 -0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -0.9495 0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 0.2002 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7862 3.4737 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 -0.6573 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 -0.6669 1.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3309 -0.0826 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6815 -0.0921 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 0.7968 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5814 0.0300 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7911 0.6933 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8218 2.0834 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6248 2.7584 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 -0.9417 -1.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5587 -1.4262 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -0.9548 2.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0978 -2.2365 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9901 -0.1931 2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 -1.9354 2.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0332 1.4631 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2343 -0.1241 -2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 2.2682 -1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 -2.7149 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 -2.5664 -0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 -2.3156 -1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5366 3.9776 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0756 3.6296 1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8155 3.9497 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 -0.9075 2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 0.1458 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 0.1156 2.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7234 0.1559 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7526 2.6219 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5947 3.8429 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6947 -2.9443 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 28 1 0 0 0 0 2 48 1 0 0 0 0 3 28 2 0 0 0 0 4 22 1 0 0 0 0 4 26 2 0 0 0 0 5 27 3 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END > 68703689 > 1 > 3 99 32 166 176 79 164 75 188 119 170 28 167 157 18 71 41 172 183 96 118 85 52 108 142 111 6 184 135 132 168 154 187 113 2 169 120 27 153 178 100 124 45 91 103 148 145 7 105 160 46 138 171 162 173 72 44 102 95 16 104 38 97 65 84 156 122 150 10 14 78 60 31 133 161 146 110 165 30 23 115 179 174 92 59 69 189 9 1 163 83 98 70 185 130 36 109 139 8 55 129 158 131 64 141 20 37 94 76 93 116 62 80 48 42 152 182 144 50 49 66 159 58 13 101 77 106 4 86 125 35 12 112 147 57 89 88 81 121 67 25 151 5 149 54 11 140 82 21 175 126 155 114 136 61 22 43 123 117 63 34 186 177 181 107 127 26 74 53 73 137 15 90 51 39 17 68 19 29 180 87 134 128 143 56 40 33 190 47 24 > 37 1 -0.36 10 -0.15 11 -0.14 12 -0.15 13 -0.15 14 0.14 15 0.08 17 0.14 18 0.07 19 -0.15 2 -0.65 20 -0.15 21 -0.15 22 0.31 23 0.09 24 -0.15 25 -0.15 26 0.16 27 0.48 28 0.63 3 -0.57 33 0.15 34 0.15 35 0.15 4 -0.62 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.5 5 -0.56 6 -0.14 7 0.14 8 -0.14 9 0.28 > 6 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 2 3 28 anion 6 15 16 18 19 20 21 rings 6 4 22 23 24 25 26 rings 6 6 8 10 11 12 13 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 041855C900000003 > 92.0964 > 45.732 > 10165383 225 17386013849940505926 11089746 13 18040998423700558666 11796584 16 8286203872324931496 11991303 11 17489582411515856903 12236239 1 17677050149474677707 12633257 1 16009026246136946056 13782708 43 16916773141960860687 14528608 73 18333731325257671410 14739800 52 18335128800379309912 15475509 35 10737587015167512277 15840311 113 17822850863042904493 15849732 13 18058721404880418434 17349148 13 16370730326740894751 17844677 252 18412830174427007378 17857418 61 10231744596386499001 17980427 23 17749395875419593727 1813 80 13902188188044746826 19377110 9 17895207610132130617 1979834 28 16153429420180247578 20511986 3 17749095678817433487 21703447 108 12182710392350272737 21792938 703 13973666343960995964 23559900 14 18056760927348483743 23569914 152 13753595557162773513 23569914 2 17763130948340841973 3472631 163 18337951191119881149 34797466 226 18343586243872331775 3493558 16 18342466915023677389 394071 54 15936703635336467588 44317340 157 18411426106742196744 504579 68 18334002879097662679 5104073 3 17676203559142460233 8988823 20 10665238059522721182 960060 61 13830127334638441304 > 548.66 15.19 2.77 1.76 6.8 1.94 0.22 6.25 1.41 -0.56 -0.05 -2.02 -0.78 0.15 > 1195.354 > 296 > 2 5 10 $$$$