53385437 -OEChem-04232418363D 50 53 0 0 0 0 0 0 0999 V2000 -4.9282 1.0845 2.2256 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.9892 3.1425 0.8676 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 -0.9001 0.4724 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0589 -1.1485 0.0795 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 -0.6150 -1.2021 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 -1.6929 0.9416 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -1.1128 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -1.5958 1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.5774 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 -1.0754 1.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2614 -1.3666 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 -1.1522 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2217 -0.3637 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 0.7914 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7438 -0.6172 -1.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -1.1602 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -0.6355 -1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -1.6802 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4779 -1.1648 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4846 1.6930 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6364 0.2845 -1.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0068 1.4395 -1.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1381 0.1743 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1205 1.1767 -1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7622 0.4013 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 2.4064 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3688 1.6309 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3513 2.6334 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3385 -2.1803 -1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 -0.5889 -1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4483 -1.4328 2.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 -2.6789 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 -0.8439 -1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.5173 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 -0.0358 1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -1.6810 2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -2.3453 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5658 -1.5564 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4662 -1.5118 -1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5467 -0.2112 -2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 -2.1153 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9245 -1.9333 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7399 -1.4829 -1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0429 0.0872 -2.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7039 2.1307 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6493 1.0130 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7813 -0.3704 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7159 3.1860 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8544 1.8080 2.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8240 3.5906 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > 53385437 > 0.8 > 1 191 33 193 90 46 162 108 82 185 76 2 167 132 160 151 157 143 168 71 18 80 116 134 113 81 131 169 83 58 139 37 117 128 73 36 147 189 161 196 112 119 77 163 11 104 7 148 105 101 98 182 115 126 123 86 47 133 99 103 15 145 92 174 188 31 166 42 110 121 140 50 32 111 87 102 152 146 138 56 122 170 159 78 135 29 136 178 175 114 60 62 39 69 144 124 150 186 48 156 129 63 184 158 173 49 59 8 35 53 64 89 79 149 96 40 52 19 67 141 179 27 61 194 74 142 70 51 38 177 54 155 172 176 65 100 97 45 23 125 171 28 14 84 24 153 30 34 22 4 180 109 10 187 21 12 154 41 190 137 183 95 164 66 120 197 94 195 16 127 85 13 20 181 75 57 17 93 25 55 130 106 9 192 165 88 118 26 68 107 91 44 5 72 6 43 3 > 38 1 -0.18 10 0.37 11 0.41 12 0.72 13 -0.14 14 0.18 15 -0.15 16 -0.14 17 0.16 18 0.16 19 0.29 2 -0.18 20 0.18 21 -0.15 22 -0.15 23 -0.14 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 3 -0.81 39 0.15 4 -0.84 40 0.15 41 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.62 50 0.15 6 -0.62 7 0.27 8 0.27 9 0.37 > 6.2 > 7 1 3 cation 1 6 acceptor 4 4 5 6 12 cation 6 13 14 15 20 21 22 rings 6 23 24 25 26 27 28 rings 6 3 4 7 8 9 10 rings 6 5 6 12 16 17 18 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 032E98DD00000001 > 82.8465 > 35.523 > 10 15 16660364792331711942 10554248 39 17632301108229107462 10693767 8 11887691541815733044 10835480 77 18335420183787250886 11315181 36 18413666912557884103 11386260 185 17489598883528104940 11387372 6 9294995861336250969 11456790 92 18187358857866022216 11476731 118 18272087240449943704 11991303 11 15338825504230443501 12166972 35 9583516529779278710 125118 31 18409731764220355300 12522641 126 16128112053086952772 12838862 33 16878210997458414263 13627175 4 9727366714605498708 13668630 136 12103556481715500093 13685833 64 8574720100573485566 13690498 29 17416956417617580327 13782708 43 9727637176636579146 14123256 34 11671781580749280863 14251757 52 18413668007009724656 14931854 50 15410899547950649942 15131766 46 17986097734094731980 15183329 4 17418095416351118688 15276724 80 18337669707110209020 15350500 55 18337954623379239584 16994733 274 18412822495215555384 17093844 174 17458343057472856011 1818759 1 12751232649737656757 18335252 114 17846501457367907716 18927931 339 12535629367381457355 2026 5 9943532903127020069 20511986 3 18186796989258006298 21033648 29 17240486892833829651 21130935 74 17894348891266891554 21150785 3 17060335240631633735 21267235 1 13182735974894176023 21298829 104 18410578392099724428 21424621 283 18335424543110452467 21585481 151 11242240836773084496 21792934 111 16443614714620369406 23081809 10 17274827913028037099 23522609 53 12966031080755999410 23576562 1 17130694153798358581 24771293 8 17895475942424493972 249057 25 17202776895429078122 2748736 6 18408040727868063144 3103668 31 15696288919263356150 328310 630 18343311370186729649 33532 11 9151175354981290044 3504750 166 9007057968515350403 397638 26 16008746896936763073 406291 66 9223234035619894924 4093350 32 18260543386681931866 4169191 19 18335143132574439204 44880568 143 17988650632079058909 465052 167 10665219364057459786 504579 68 15769774667093928944 5104073 3 15937271034554220646 5937810 71 17489877016339661193 6328613 192 18412545414043187529 9831232 110 9583253733968214248 999808 66 10519984881244085837 > 560.04 26 2.58 1.68 8.82 1.89 0.14 21.48 -2.14 0.5 0.5 -1.46 0.14 -0.7 > 1188.846 > 310.8 > 2 5 10 $$$$