59857953 -OEChem-04262420413D 51 54 0 1 0 0 0 0 0999 V2000 0.9230 -0.6255 -1.4266 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4077 -0.7188 0.6492 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1099 -4.1834 1.0088 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 3.5420 0.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 3.7767 -0.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 2.2834 1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 0.7700 -1.7113 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0274 1.7150 1.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0152 0.8941 0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0223 -1.5256 0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 1.8473 -0.6904 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 1.0108 -0.1972 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 0.3277 1.2445 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5678 -2.2087 0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1346 -2.3233 -0.4982 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 0.1634 0.4797 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9074 -2.4497 0.3888 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 -4.5132 -1.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 1.1548 -1.6840 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3222 1.8270 -1.0258 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2787 2.6391 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0232 1.6067 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 0.5023 -0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -0.6040 -1.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 0.2056 -0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7514 2.5645 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4465 0.5718 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1786 -0.2478 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9778 -1.7216 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -0.9144 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5962 -2.5671 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 -3.6195 -0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2064 -0.0275 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8074 -1.4145 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9144 2.2624 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8991 1.4973 -2.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 2.4701 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 -1.5870 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.5072 -2.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9171 0.7429 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4534 -0.3640 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 1.1373 -0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2199 4.4489 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -3.0083 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 -2.3325 2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1807 -3.4257 0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9597 3.3447 1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9191 1.8480 1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 2.0596 3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4223 -5.5074 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8062 -4.2214 -1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 43 1 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 13 1 0 0 0 0 8 35 1 0 0 0 0 9 33 2 0 0 0 0 10 34 2 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 20 1 0 0 0 0 12 27 1 0 0 0 0 12 40 1 0 0 0 0 13 28 2 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 14 44 1 0 0 0 0 15 29 1 0 0 0 0 15 32 2 0 0 0 0 16 30 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 46 1 0 0 0 0 18 32 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 31 45 1 0 0 0 0 33 34 1 0 0 0 0 35 47 1 0 0 0 0 35 48 1 0 0 0 0 35 49 1 0 0 0 0 M END > 59857953 > 1 > 1 17 117 138 216 139 144 115 44 190 91 214 208 98 197 11 151 62 122 57 79 213 186 194 196 172 212 63 55 114 178 43 209 38 100 149 86 39 184 99 128 31 187 127 137 142 112 83 177 188 10 189 206 166 110 90 52 135 116 65 40 95 107 207 143 203 5 182 106 200 192 97 211 70 34 26 49 96 150 154 118 24 120 210 171 215 134 84 191 64 60 202 71 158 121 195 145 155 205 163 78 104 148 123 53 185 89 87 119 176 170 92 46 105 165 159 133 156 50 66 146 22 80 167 113 72 131 59 147 199 77 179 164 9 175 109 141 126 153 33 129 124 193 130 23 35 75 93 27 103 58 180 168 111 61 181 37 69 125 2 54 108 67 82 201 174 88 140 160 48 102 101 30 21 157 173 169 85 94 162 204 136 132 20 183 8 32 25 16 56 161 74 42 7 47 28 15 68 51 36 18 29 12 152 3 13 45 14 198 41 6 81 19 76 4 73 > 42 1 -0.45 10 -0.57 11 -0.39 12 -0.65 13 -0.51 14 -0.47 15 -0.57 16 -0.66 17 -0.41 18 -0.88 19 0.44 2 -0.37 20 0.28 21 0.58 22 0.12 23 -0.28 24 0.37 25 0.37 26 0.71 27 0.63 28 0.54 29 0.14 3 -0.08 30 0.64 31 -0.11 32 0.46 33 0.78 34 0.63 35 0.28 4 -0.57 40 0.37 43 0.5 44 0.4 45 0.15 46 0.37 5 -0.65 50 0.4 51 0.4 6 -0.57 7 -0.57 8 -0.22 9 -0.57 > 9.6 > 18 1 10 acceptor 1 12 donor 1 13 acceptor 1 14 donor 1 16 donor 1 17 donor 1 18 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 acceptor 3 15 18 32 cation 3 5 6 26 anion 4 11 19 20 21 rings 5 3 15 29 31 32 rings 6 1 11 19 22 23 24 rings 6 14 16 17 30 33 34 rings > 35 > 2 > 0 > 1 > 0 > 0 > 1 > 84 > 03915C2100000001 > 79.7179 > 93.29 > 10 15 17632579391686387857 10939801 23 18201438137970461552 11578821 258 10159163614400321083 117089 54 18193281797618378786 12047536 79 18059294262194159340 13533116 47 18334581234882178158 13782708 43 17967816050874199183 15064986 96 17416966111374286182 15347590 135 18201147841626817600 15475509 35 18411416237176577080 15721738 202 18342736278661677202 16728300 4 18266170643657322583 17492 89 18265051328468016446 1768 124 18410855477503904983 19301679 30 18337389348745399372 19841028 212 18114457860672962674 22889206 1 17913764195990467728 2838139 119 11743844607873079889 3472631 163 9295287244279669672 3886686 26 17548987654205632943 4461854 278 18130499761425081374 474113 269 18410851032903428135 50009960 94 17825085036301031050 5104073 3 18270677550794496360 > 650.9 21.93 4.79 1.46 33.87 2.48 -0.12 13.81 9.7 -6.45 0.76 -1.81 -0.28 0.84 > 1359.687 > 370.2 > 2 5 10 $$$$