832 -OEChem-10221921583D 21 20 0 1 0 0 0 0 0999 V2000 -2.5152 -0.1242 -0.2305 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 0.5239 -0.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3736 -1.8137 -0.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.6787 1.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 -0.8675 0.7751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 -1.5926 0.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 -0.4268 -1.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 0.7203 0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 1.0186 -1.2443 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 0.4134 -0.7473 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0809 1.4226 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 0.8373 0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -0.7899 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 0.0727 -1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 2.3249 -0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6785 1.7443 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 1.8404 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 0.3674 -1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 -2.5926 0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -2.2002 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 -0.6865 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 M END > 832 > 0.6 > 4 170 50 102 3 91 48 60 6 144 178 75 120 61 137 13 113 17 149 179 183 9 135 138 69 100 145 171 182 84 106 158 30 70 142 54 140 168 96 46 37 128 27 147 105 173 44 112 141 159 63 64 29 107 67 51 24 146 53 174 42 181 79 76 16 124 19 97 155 177 119 41 2 139 118 114 169 136 31 74 72 122 117 8 175 40 88 101 176 18 83 156 58 25 148 172 123 26 7 125 65 143 157 165 49 180 154 167 87 116 130 109 115 32 11 104 89 59 35 152 38 166 131 132 22 133 127 39 77 81 90 151 52 163 73 111 15 85 160 43 82 62 66 92 47 68 134 21 161 103 121 45 57 5 12 150 153 56 98 126 10 95 36 86 78 33 71 162 108 55 14 164 34 1 110 80 99 20 94 28 93 129 23 > 18 1 1.51 10 0.33 11 0.06 12 0.66 13 0.66 17 0.36 18 0.36 19 0.5 2 -0.42 20 0.5 21 0.5 3 -0.65 4 -0.57 5 -0.57 6 -0.77 7 -0.77 8 -0.7 9 -0.99 > 5 > 10 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 cation 1 9 donor 3 3 5 13 anion 4 1 6 7 8 anion > 13 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0000034000000004 > -20.6559 > 50.844 > 10857977 72 15913323602460560797 12897270 3 18261395601885581796 12932764 1 18201721764625586681 13296908 3 16487256586142728549 15775835 57 18261124005512844086 16945 1 18412544318620649325 18186145 218 16588306055415985381 20201158 50 18336541638229018227 20281407 28 16128388059795009812 20653091 64 17202469181853122897 20711985 344 17273436992200969025 21028194 46 13262395566023778849 22802520 49 16588299419759916077 23402539 116 16298659594508765268 23557571 272 14853039332501313144 3248919 1 18334005116638207049 5084963 1 11169908407381869653 > 225.32 5.41 1.48 1.26 1.28 0.38 -0.06 0.7 -1.02 -0.41 0.14 0.26 -0.17 -0.66 > 424.92 > 139.4 > 2 5 10 $$$$