65655 -OEChem-04222423263D 55 57 0 0 0 0 0 0 0999 V2000 3.0234 -2.7596 -1.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -2.3494 -1.3124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 0.7178 0.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6719 1.7257 -0.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 1.4496 -2.0255 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -2.7622 -0.0762 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7339 -1.6181 0.7979 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 -2.7201 0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3357 -2.0707 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 -3.3777 0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 -1.9914 1.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 -1.5807 1.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 -3.4334 -1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6168 -1.9041 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4403 -0.7214 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -2.4106 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 0.4982 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8262 -0.8062 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 1.5478 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6694 -0.6094 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 1.6328 0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6156 0.3284 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.7609 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 0.7459 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0472 1.9563 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 2.3079 -0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9748 2.8444 1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 3.5477 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3561 4.0841 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 4.4358 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4853 0.5315 -2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 -4.2948 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 -3.6861 1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 -1.7799 2.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -1.0058 2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 -4.3872 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 -3.6024 -1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 -2.7999 -2.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -1.7182 1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 0.6166 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3119 -1.7478 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1206 -0.9228 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4369 -0.5211 1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1561 2.5789 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6945 0.2491 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1508 2.8476 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7712 2.7165 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3247 3.6691 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3975 2.5759 2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 3.8284 -2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 4.7754 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 5.4009 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4505 1.0684 -2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 -0.0980 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6988 -0.1081 -3.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 24 2 0 0 0 0 5 26 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 18 22 2 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END > 65655 > 1.2 > 1 98 34 155 82 195 162 183 90 10 153 76 96 194 74 159 8 62 227 119 129 207 184 100 21 213 146 88 197 172 57 77 97 175 47 29 134 152 32 66 167 39 141 165 59 16 139 37 166 49 171 151 193 147 110 75 107 23 44 212 3 38 35 130 199 56 87 25 156 182 48 102 221 218 91 27 164 113 140 116 205 158 214 176 189 122 18 150 190 136 104 217 50 7 143 93 70 55 22 63 51 223 225 181 144 127 80 168 72 81 52 73 148 128 111 2 120 204 222 210 14 40 219 137 215 169 163 109 30 54 69 84 154 5 60 211 115 94 4 78 135 200 173 186 216 191 103 24 161 17 108 126 149 209 224 228 43 36 187 99 61 68 133 142 12 206 114 79 89 177 28 185 208 92 179 53 203 33 138 106 160 118 31 131 45 170 46 202 71 58 6 9 101 95 196 11 64 86 132 226 145 125 67 83 121 19 174 41 42 13 117 65 180 105 201 220 178 124 15 157 85 112 198 192 26 123 188 20 > 42 1 -0.57 10 0.24 11 -0.15 12 -0.15 13 0.26 14 0.57 15 0.09 16 0.57 17 -0.15 18 -0.15 19 -0.14 2 -0.57 20 0.36 21 -0.15 22 -0.15 23 0.14 24 0.66 25 0.08 26 0.08 27 -0.15 28 -0.15 29 -0.15 3 -0.23 30 -0.15 31 0.28 34 0.15 35 0.15 39 0.37 4 -0.57 40 0.15 41 0.15 44 0.15 45 0.15 49 0.15 5 -0.36 50 0.15 51 0.15 52 0.15 6 0.05 7 -0.73 8 -0.33 9 -0.24 > 10 > 9 1 1 acceptor 1 2 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 donor 5 6 8 9 11 12 rings 6 15 17 18 19 21 22 rings 6 25 26 27 28 29 30 rings > 31 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0001007700000001 > 88.5609 > 45.672 > 10006869 2 18335125467394926011 10675989 125 17612572446722961469 1100329 8 18265057006166933337 11578080 2 14475310763808282793 12633257 1 17325768080605061433 13122387 1 17399795995374965505 13402501 40 18410856603001185848 14279260 333 18056479449231801406 14394314 77 18411142429302415953 14840074 17 17895202082166615053 14955137 171 18265070191969831099 151778 21 17042333740093824633 15975801 100 17460603511703438380 16992787 43 18337104563557614653 18336668 15 17896882268819347645 19611394 137 17899710243055373907 20600515 1 17604438525439565950 20764821 26 18052248798459349840 21344244 246 16972222848895139863 238 59 17467886607315409125 25019877 29 17273713137345299175 392239 28 18410015420465478712 469060 322 16805600399493301895 50150288 127 16557367954278937744 6287921 2 18048617935584600692 > 598.66 9.85 5.87 1.5 10.54 2.65 -0.29 2.81 0.62 -2.58 0.19 -0.59 -0.09 0.64 > 1284.997 > 331 > 2 5 10 $$$$