66879213 -OEChem-05082423383D 36 37 0 0 0 0 0 0 0999 V2000 2.1022 -2.3046 -0.9378 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3683 -0.0565 -0.2087 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 -0.5655 0.6791 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5922 -2.6267 -0.2924 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 3.6258 0.3831 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 1.2231 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9955 -1.5769 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 -0.6835 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 -0.8277 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3176 -1.6053 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9392 2.3560 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4936 -0.4359 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 0.6967 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0648 -1.2280 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 0.9878 -0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 1.5322 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 -0.3924 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9809 1.8816 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5882 1.4089 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0312 1.1647 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7963 -1.2537 2.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 -2.5997 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8783 2.1725 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 2.4221 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 -1.3681 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1569 -0.5486 -2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2757 0.3315 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1416 1.1340 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 -2.3013 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8376 2.6059 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8334 -0.8284 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 4.3645 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 3.5866 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6663 2.1957 -2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9477 1.3730 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1386 2.7740 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 10 2 0 0 0 0 5 11 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 M END > 66879213 > 0.6 > 1 22 148 195 169 62 234 26 222 206 200 139 177 155 157 52 250 109 201 238 88 197 220 190 145 227 138 127 171 229 214 83 203 144 253 123 205 69 185 107 30 87 12 82 34 40 256 216 75 182 122 251 221 154 158 226 235 33 115 133 183 252 137 60 100 210 98 244 225 36 194 217 160 223 120 257 39 254 187 35 173 175 172 218 211 73 224 19 95 243 147 162 245 239 23 104 166 105 140 233 74 5 184 85 165 146 246 241 215 208 259 188 236 134 94 63 143 248 149 167 247 58 43 121 128 258 61 228 76 57 90 24 213 110 20 212 261 198 191 178 174 117 59 6 67 8 45 116 10 152 164 80 237 51 159 14 3 21 255 196 179 131 64 101 199 37 78 260 219 4 153 232 242 96 86 189 65 54 111 89 231 207 71 202 9 125 17 66 180 129 79 29 132 230 141 249 168 11 49 53 240 68 91 31 50 72 56 135 102 25 126 113 77 84 130 47 27 55 114 15 44 170 106 99 28 48 112 93 103 151 18 192 161 136 124 16 150 204 176 13 92 70 209 108 2 42 193 119 156 97 46 32 186 142 163 38 41 181 7 81 118 > 24 1 0.18 10 0.34 11 0.27 12 0.37 13 -0.15 14 -0.15 15 -0.14 16 -0.15 17 -0.15 18 0.14 2 -0.82 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.36 33 0.36 4 -0.51 5 -0.99 6 0.37 7 0.32 8 -0.14 9 0.46 > 5 > 6 1 5 cation 1 5 donor 3 2 3 9 cation 3 3 4 10 cation 5 1 3 4 9 10 rings 6 8 13 14 15 16 17 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 03FC7EED00000001 > 36.3469 > 30.686 > 10498660 4 18336544937085388605 10871710 139 16680919371876185300 11370993 70 18338510966712805384 12006461 19 10519981586835254135 12251169 10 11025810794354504099 12403259 415 18336837475686811784 12403260 363 18340481253158558714 12596602 18 13912619241962239885 12670546 177 18341604902723928639 12769317 202 18263068938566883909 13583140 156 18040437728367935706 14250199 8 18341899528589831939 14251764 38 18189614015315581660 14466204 15 18336257960714306698 14957384 54 18189604111721994224 15342816 4 13758071879124896214 17834072 32 18409167714227662209 17959699 21 18336823087984421373 18186145 218 18272665553447699402 192875 21 18268703918526424122 193927 3 12247383645068705373 20281475 54 10159704611519377314 20449540 30 18342742931628821657 20621476 13 18410854408109984164 20645477 56 18259991444655161003 20871999 31 18200861934354724111 21524375 3 18333732420580275122 21709351 56 18342737425159267830 21860390 5 18341898446368902364 22289505 5 18265332815986504084 22749437 52 18336549433663329636 23227448 37 18408881858885255421 23402655 69 18270120097971796335 23557571 272 17968675907305723659 23559900 14 18341889658697028586 26353 1 16980440130517217014 3060560 45 18272933778730019926 3117164 225 8718276809930949367 351380 180 18409443691851760946 4028521 119 18335984181870720631 4280585 95 17053884182922268798 43658 37 18411975896947523201 474 4 18408604747120680561 5262128 65 17915757374295240919 526903 126 18408602587126709665 5281201 14 18342468027409034198 6328613 192 18115312297709983380 9709674 26 18411425003083736047 9981440 41 18263636441169666090 > 354.36 9.44 3.16 1.07 2.98 1.74 0.02 5.23 3.25 -2.44 0.07 0.16 -0.16 1.19 > 721.513 > 209.3 > 2 5 10 $$$$