2734467 -OEChem-08192221063D 51 54 0 1 0 0 0 0 0999 V2000 0.6311 2.2399 0.1408 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 2.4987 1.8005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8785 3.9991 -0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8687 3.1403 -0.1099 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 1.7988 -0.3291 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -5.5899 -0.2036 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 1.5094 1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2999 1.1375 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0168 0.1923 1.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0599 -0.2229 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2727 -0.8028 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 2.6428 1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 1.9404 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -0.0891 2.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -0.7874 -1.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -2.0899 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5398 1.3712 -2.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -1.3862 2.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 0.0208 -2.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 -2.3767 1.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9549 1.6611 -0.1119 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5596 0.5904 -1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6459 2.2055 0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -0.7674 -0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 2.9880 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8233 -1.1103 -1.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4553 -1.6456 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2364 -2.3645 -1.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 -2.8997 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -3.2591 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 -4.5446 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 1.7624 1.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 3.5368 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 2.9225 2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2337 2.9820 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 0.6715 3.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 -1.8291 -1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9729 -2.8663 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 1.9780 -2.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -1.6348 3.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6974 -0.4006 -3.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6567 -3.3801 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1012 1.3896 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 0.8963 -2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6413 0.5115 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1688 1.6627 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 -0.4255 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3172 -1.3733 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3722 -2.6301 -2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 -3.5859 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 4.8336 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 23 1 0 0 0 0 2 23 2 0 0 0 0 3 25 1 0 0 0 0 3 51 1 0 0 0 0 4 25 2 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 5 46 1 0 0 0 0 6 31 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 M END > 2734467 > 1 > 2 30 132 59 71 79 57 88 182 53 89 40 167 160 168 97 209 214 164 205 196 10 38 129 100 113 115 105 27 165 101 177 81 70 49 43 66 206 136 118 142 212 91 19 119 148 93 184 98 48 156 186 55 16 23 80 76 198 63 157 127 121 51 137 170 14 140 208 134 104 195 190 34 107 103 128 99 5 110 61 95 183 146 58 153 189 130 133 159 139 188 74 73 46 181 204 29 197 41 7 52 135 179 172 114 90 210 56 215 42 124 37 143 116 187 31 67 85 22 83 44 201 178 39 112 155 65 108 141 211 175 18 111 180 145 120 20 171 35 68 106 9 169 199 84 125 75 176 12 28 77 166 191 32 13 147 200 47 203 4 17 150 185 174 33 45 69 151 117 6 154 78 207 216 60 163 173 194 217 8 62 126 192 162 21 149 24 102 213 26 15 158 138 109 72 202 123 3 94 25 131 161 87 1 11 193 86 54 50 64 122 144 82 92 36 152 96 > 43 1 -0.43 12 0.28 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 0.36 22 0.14 23 0.78 24 -0.14 25 0.66 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.65 30 0.07 31 0.48 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 46 0.37 47 0.15 48 0.15 49 0.15 5 -0.73 50 0.15 51 0.5 6 -0.56 7 0.29 8 -0.14 9 -0.14 > 8.2 > 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 donor 1 6 acceptor 3 3 4 25 anion 5 7 8 9 10 11 rings 6 24 26 27 28 29 30 rings 6 8 10 13 15 17 19 rings 6 9 11 14 16 18 20 rings > 31 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 0029B98300000002 > 81.3002 > 50.97 > 10675989 125 17696169431999910281 11621639 254 17321309956640834252 12553582 1 18050832610249618231 12596599 1 17909832372542902667 12788726 201 18116717519748713131 13726171 33 18341910592262809888 14114206 34 18119793961978654405 14251757 17 18201446929799846932 14251757 5 18269007520921403678 151778 21 18119811309525817373 18603816 31 14254081147218857678 19319366 153 17894909586039955753 20465049 17 18196383515297248367 20764821 26 18269819944403952519 20771845 171 17974290916116230445 21033650 10 17971208138830023302 21304303 94 18126854793708335524 3298306 158 17981313500972107117 35225 105 17176365615973489111 46194498 28 17190954164332928638 469060 322 16951988347187140291 77296 10 18412820297168083336 > 604.53 7.88 5.63 2.32 2.09 2.03 -0.78 -3.42 4.85 -7.16 0.12 2.4 0.57 -0.21 > 1328.06 > 323.9 > 2 5 10 $$$$