6031 -OEChem-03232311463D 39 40 0 1 0 0 0 0 0999 V2000 -3.1453 0.9424 0.8620 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.9733 -1.3050 -0.8461 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1316 1.4751 1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 3.9082 -0.2294 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 1.8732 -1.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 1.5807 1.0564 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 -0.5270 0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -0.3116 -0.1325 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9288 2.0123 -0.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8533 0.5938 2.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1898 -4.4592 0.1939 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6274 -2.1007 0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0285 -2.4126 -1.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 -0.6269 -1.7576 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 -0.3958 0.2854 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3952 -2.4841 0.1809 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 2.9405 -0.7389 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0669 1.6496 -1.0600 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4268 2.5174 0.4007 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2488 1.0389 0.3189 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9038 1.9505 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 -1.0868 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 -1.1041 0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 -2.4360 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.2329 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 3.3856 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 1.0223 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 3.3265 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 1.3990 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7748 1.0800 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 2.7153 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 3.5738 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 1.0121 -1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 -0.5413 0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2683 -3.0012 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0378 -2.9538 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 2.8160 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3735 -2.7148 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4405 -3.0947 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 6 21 1 0 0 0 0 7 22 2 0 0 0 0 9 37 1 0 0 0 0 11 25 2 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 M END > 6031 > 0.8 > 1 221 103 157 234 79 156 50 52 46 209 94 108 57 36 226 193 102 112 197 227 129 128 194 95 33 99 64 200 137 216 185 135 115 127 55 215 192 163 222 188 93 153 84 21 49 236 183 130 116 181 165 177 152 10 225 71 202 125 246 247 186 158 16 113 187 146 14 206 136 161 203 235 12 74 121 42 210 54 90 198 184 123 168 119 58 237 117 39 87 25 107 73 114 228 147 138 27 100 85 164 9 242 80 110 38 63 133 159 174 124 11 182 24 189 231 83 56 132 213 148 169 211 88 17 92 78 82 70 141 166 6 20 142 31 207 214 44 219 65 89 28 196 224 51 97 13 155 104 34 131 217 48 106 30 212 134 86 229 167 29 7 173 32 81 45 240 178 23 195 179 59 140 75 243 239 199 41 144 150 18 5 111 201 149 96 170 230 143 120 62 223 69 72 154 22 77 61 126 162 191 43 122 139 3 47 53 60 220 66 67 19 241 145 175 171 40 208 205 26 91 176 160 101 105 35 98 2 151 8 68 4 233 172 180 204 232 76 245 244 238 190 109 218 15 37 118 > 33 1 1.51 10 -0.7 11 -0.57 12 -0.77 13 -0.77 14 -0.7 15 -0.47 16 -0.49 17 0.28 18 0.28 19 0.28 2 1.51 20 0.58 21 0.28 22 0.69 23 -0.04 24 -0.14 25 0.62 3 -0.56 32 0.4 33 0.4 34 0.15 35 0.37 36 0.15 37 0.5 38 0.5 39 0.5 4 -0.68 5 -0.68 6 -0.55 7 -0.57 8 -0.54 9 -0.77 > 7 > 16 1 10 acceptor 1 11 acceptor 1 12 acceptor 1 13 acceptor 1 14 acceptor 1 16 donor 1 3 acceptor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 7 acceptor 1 9 acceptor 4 2 12 13 14 anion 5 3 17 18 19 20 rings 6 15 16 22 23 24 25 rings > 25 > 4 > 0 > 0 > 0 > 0 > 1 > 3 > 0000178F00000001 > 5.4113 > 81.267 > 108634 29 17116351222118706302 12553582 1 18336834069725063578 12596599 1 17988094283015097999 12788726 201 17560815359512208281 13004483 165 17758673343585556136 13257819 101 15214445523966404284 14117953 113 17549538514385123285 14251757 17 17826480342219915855 14790565 3 18336835307382935748 15537594 2 18268167378047506003 20645477 70 18187359982582911753 20775530 9 18267020544523089603 21634736 98 18340768229655936190 235170 7 17605539154286002543 23559900 14 18337657685981621547 238 59 18190183575275789059 46194498 28 17749382681164081125 463206 1 18337113354236635891 59682541 52 18194092254310478927 > 441.79 8.7 4.82 1.28 8.28 1.53 -0.11 3.67 -1.11 -3.62 -0.42 1.19 -0.25 -1.93 > 889.848 > 260.2 > 2 5 10 $$$$