25202900 -OEChem-04242420303D 60 62 0 1 0 0 0 0 0999 V2000 1.9114 0.3335 0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 1.0004 1.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4181 -0.1786 -0.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 -0.6393 0.5813 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6345 0.1523 -1.9084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 -2.3361 1.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 -2.6196 0.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8205 -1.6493 1.7466 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 2.7829 -0.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3663 2.0166 -2.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7789 -2.8141 -0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 0.0026 -1.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7925 -0.5020 -1.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 3.3109 1.8054 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9847 2.4136 2.5813 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6084 2.4106 -2.5393 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7390 2.6534 -0.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -3.0497 0.3882 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3054 -2.7798 -1.8484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 -0.0262 1.7831 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6554 -1.4131 1.6420 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4971 -1.3887 0.6333 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4725 -0.2467 0.9421 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1909 0.9863 2.0973 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6887 0.2945 0.3354 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3091 0.5657 0.7216 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5409 -0.9021 0.7708 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7937 1.6285 -0.2717 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7641 1.0870 -1.7046 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3848 1.0269 -0.8071 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8703 -1.7805 -0.4404 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5278 -0.2392 -1.7805 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9841 -1.2011 -0.7291 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4888 -0.9443 -1.5670 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7920 2.3735 2.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4903 2.1392 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8131 -2.4680 -0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -0.0829 2.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 -1.7597 2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 -1.3067 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9532 -0.4370 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 0.7726 3.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5523 0.9722 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 0.9428 1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4719 -0.5645 1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8172 1.9316 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7251 0.9540 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3277 1.4778 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9501 -2.2634 -0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 -0.6383 -2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9466 -1.4756 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6064 -1.5721 -2.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 -2.3154 1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5754 -2.7084 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8565 -1.1475 2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 3.4252 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 1.6334 -3.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9527 -3.3457 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 -0.7959 -1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2966 -0.3661 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 23 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 33 1 0 0 0 0 5 30 1 0 0 0 0 5 34 1 0 0 0 0 6 21 1 0 0 0 0 6 53 1 0 0 0 0 7 22 1 0 0 0 0 7 54 1 0 0 0 0 8 27 1 0 0 0 0 8 55 1 0 0 0 0 9 28 1 0 0 0 0 9 56 1 0 0 0 0 10 29 1 0 0 0 0 10 57 1 0 0 0 0 11 31 1 0 0 0 0 11 58 1 0 0 0 0 12 32 1 0 0 0 0 12 59 1 0 0 0 0 13 34 1 0 0 0 0 13 60 1 0 0 0 0 14 35 1 0 0 0 0 15 35 2 0 0 0 0 16 36 1 0 0 0 0 17 36 2 0 0 0 0 18 37 1 0 0 0 0 19 37 2 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 35 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 31 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 47 1 0 0 0 0 30 36 1 0 0 0 0 30 48 1 0 0 0 0 31 34 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 37 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 M CHG 3 14 -1 16 -1 18 -1 M END > 25202900 > 1.2 > 1 202 163 14 145 206 86 41 36 123 23 133 131 140 104 56 59 159 165 33 179 218 139 175 195 87 55 107 137 96 200 99 136 98 134 66 138 102 223 125 180 130 185 117 230 29 42 187 103 89 110 118 161 79 173 97 95 166 12 213 81 203 64 39 16 169 220 152 63 74 40 35 201 27 197 158 28 148 210 71 135 190 229 44 184 227 189 224 75 62 54 120 116 157 146 204 208 4 147 69 193 141 194 61 225 2 115 176 121 226 222 91 191 214 231 50 43 32 128 94 112 30 106 3 149 68 126 162 90 216 88 168 17 100 155 53 153 188 15 122 48 47 76 183 129 174 217 144 19 60 181 57 77 205 228 109 92 13 151 143 65 156 18 38 24 212 84 196 182 22 70 114 199 215 85 108 21 142 105 171 154 119 93 160 177 170 111 78 221 20 211 46 52 49 72 37 58 45 26 150 101 9 207 164 219 73 127 198 31 25 172 167 82 124 6 51 132 8 11 209 178 83 5 80 192 10 232 7 186 113 34 67 > 45 1 -0.56 10 -0.68 11 -0.68 12 -0.68 13 -0.68 14 -0.9 15 -0.9 16 -0.9 17 -0.9 18 -0.9 19 -0.9 2 -0.56 20 0.28 21 0.28 22 0.28 23 0.56 24 0.17 25 0.28 26 0.56 27 0.28 28 0.28 29 0.28 3 -0.56 30 0.17 31 0.28 32 0.28 33 0.17 34 0.56 35 0.91 36 0.91 37 0.91 4 -0.56 5 -0.56 53 0.4 54 0.4 55 0.4 56 0.4 57 0.4 58 0.4 59 0.4 6 -0.68 60 0.4 7 -0.68 8 -0.68 9 -0.68 > 10.6 > 33 1 1 acceptor 1 10 acceptor 1 10 donor 1 11 acceptor 1 11 donor 1 12 acceptor 1 12 donor 1 13 acceptor 1 13 donor 1 14 acceptor 1 15 acceptor 1 16 acceptor 1 17 acceptor 1 18 acceptor 1 19 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 6 donor 1 7 acceptor 1 7 donor 1 8 acceptor 1 8 donor 1 9 acceptor 1 9 donor 3 14 15 35 anion 3 16 17 36 anion 3 18 19 37 anion 6 2 20 21 22 23 24 rings 6 4 26 28 29 32 33 rings 6 5 25 27 30 31 34 rings > 37 > 13 > 2 > 0 > 0 > 0 > 1 > 1 > 018090D400000001 > 117.5265 > 167.927 > 10622 236 18124604076849615310 10670039 82 17894349986108336076 10928967 22 17489584571572851639 12422481 6 14764079921404648365 12788726 201 17986974980810908234 13636023 20 18260542287074636976 13782708 43 18341893035021884339 14068700 675 18268707204783417554 14251757 17 18334863822345277640 14951699 99 9439111087586374326 15001296 14 17386004022475312157 15082195 135 17823392952339961661 15183329 4 18040719121845664662 15324884 4 17901660790015193395 15775530 1 17762059139393485634 17349148 13 16415206692860050807 17909252 39 18131069299435269250 1813 80 16845858987695308368 20567600 234 11602537633151665583 20775438 99 17771035466376076567 20775530 9 15122130334198196684 21421861 104 12967123964805151112 221357 26 18413385441053214129 22393880 68 18188202105120084893 23536364 44 18270960120723804977 23559900 14 17897701225105208459 2838139 119 16660646224285149884 3117164 225 10735880568952577151 34797466 226 17749395918195335751 46194498 28 18337107977154223044 6669772 16 17844233245782434952 > 649.93 14.12 3.49 2.43 5.66 0.24 0.2 -6.79 9.88 -1.42 -0.33 -0.76 1.25 1.3 > 1381.323 > 350.2 > 2 5 10 $$$$