60159362 -OEChem-05072419273D 51 53 0 1 0 0 0 0 0999 V2000 2.1329 1.8023 0.1808 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7637 -3.1320 0.4288 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 2.0220 1.5407 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1749 2.8876 -0.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5809 0.2574 -0.1955 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3342 -0.5416 -0.5856 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9099 -1.2957 1.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1598 1.4711 0.1114 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0026 0.1255 0.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 0.5031 -0.4930 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.4220 -1.9209 0.0943 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4719 -0.5784 0.1527 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -0.6674 0.4008 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0742 -1.5799 -0.1506 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2490 -2.0018 -1.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9807 -0.6404 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.8104 -2.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6947 0.0474 -1.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 -0.9566 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7386 1.0721 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 1.1990 -0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1395 0.3688 1.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 -1.7178 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8758 0.6226 -0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 -0.2076 1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 -0.0806 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8215 -0.8310 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1726 -2.1548 0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7668 0.2498 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9998 2.6299 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1379 3.8582 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0831 -2.4803 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -2.5484 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -2.6929 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 -1.2030 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -0.2684 1.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 -1.1709 -3.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 -0.2015 -2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 -0.5418 -1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8817 0.9077 -2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 -2.8981 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3158 1.7414 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 0.2551 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 0.7413 -1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 -0.7490 2.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1537 -2.5889 0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7137 2.5372 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5463 2.7086 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 3.9516 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5709 3.7830 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7493 4.7644 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 2 28 1 0 0 0 0 5 19 2 0 0 0 0 6 13 1 0 0 0 0 7 13 2 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 29 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 23 1 0 0 0 0 11 41 1 0 0 0 0 12 23 2 0 0 0 0 12 27 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M CHG 2 6 -1 13 1 M END > 60159362 > 1 > 1 10 65 40 193 258 234 107 67 43 207 161 108 251 260 216 98 87 97 53 96 138 32 139 74 176 153 45 252 126 129 150 28 109 130 180 200 140 179 141 149 152 146 4 85 222 196 88 169 50 58 204 121 64 239 151 41 189 242 86 183 247 21 119 100 184 168 174 73 35 188 253 78 83 249 172 128 95 17 181 197 77 166 219 248 215 30 257 163 246 229 105 60 33 167 227 123 103 220 76 91 255 154 59 225 37 148 116 221 68 104 102 82 80 212 131 185 7 23 182 233 137 192 213 191 232 187 89 94 114 231 48 198 69 142 13 46 92 236 47 19 135 9 24 145 254 194 52 84 54 256 18 81 237 155 20 245 259 160 3 113 143 214 170 244 25 157 14 15 42 175 62 118 125 164 186 223 171 211 165 230 57 144 56 66 112 209 38 173 6 158 106 55 250 190 49 177 159 120 241 99 127 12 243 29 61 162 208 133 71 115 79 210 75 122 206 31 226 70 27 5 228 111 218 44 136 238 51 195 178 132 90 202 26 217 101 147 16 110 39 8 235 124 205 93 11 63 201 72 117 156 224 22 203 36 34 2 134 199 240 > 34 1 1.45 10 -0.85 11 -0.49 12 -0.57 13 0.91 14 0.06 16 0.36 18 0.36 19 0.57 2 -0.08 20 -0.01 21 -0.15 22 -0.15 23 0.44 24 -0.15 25 -0.15 26 0.13 27 0.14 28 -0.11 29 0.81 3 -0.65 30 0.28 4 -0.65 41 0.37 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.57 6 -0.52 7 -0.52 8 -0.43 9 -0.57 > 10.2 > 11 1 11 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 6 anion 1 7 acceptor 1 9 acceptor 5 2 12 23 27 28 rings 6 10 14 15 16 17 18 rings 6 20 21 22 24 25 26 rings > 31 > 0 > 1 > 0 > 0 > 0 > 1 > 5 > 0395F58200000001 > 53.1573 > 55.924 > 10076449 9 12324247148064356087 100830 39 18408885114555511185 10299344 5 17822291297186141218 10319926 262 18338792433452808459 10580692 12 18408605846479548371 10666366 153 18130797724716774966 10674148 151 18187080668538727698 10951579 204 18196673811979316172 11135609 149 15839610049448842085 11374522 165 17987226734166252593 11646440 116 16917078796917405306 12107183 9 18334289872806512250 12166972 35 17896321492441164029 12778500 126 18040154032808405020 13673619 4 17095230446143000670 13878862 14 15984809472544197664 13899415 154 13767920247898684542 13914758 101 18409732850177077602 14347424 109 18342452695267298728 15142383 8 18272368681572102818 15183329 4 17894621578386351827 15419008 145 18261386720231206969 15461852 350 18337946892464520095 15537594 2 13984929788130487131 15849732 13 18059856199226206798 19302320 297 18335151903631140105 20105231 36 14201397179325788433 20157964 124 12535360008554630246 21033648 29 17845636153815513600 21049683 271 8214139651063529246 21150785 3 10952051156269364407 21315763 129 18340490088343805069 21403212 168 17418092114212708790 21521721 280 13118285893118181718 21585482 57 11815598805996764458 21774942 28 16486708965201887545 21792965 96 17387134179079353972 21859007 373 18201993339528737145 23522609 53 17604732034825041172 23569943 247 16299483051361119035 24893992 56 18411139182449344315 2747138 104 13334737933863289398 2838139 119 18272645779734695293 394071 54 15286202946670822852 397638 26 17988641917395171571 5207 217 8502377737266215842 59755656 215 18130794446891693647 6004065 56 9655570825677988162 6086070 43 16486676039988136771 6394761 36 18408319995084176398 > 584.66 23.53 3.15 1.39 0.43 1.84 0.53 2.85 -6.14 7 -0.02 -1.85 -0.25 0.07 > 1211.044 > 334.6 > 2 5 10 $$$$