56588819 -OEChem-04242423553D 52 54 0 1 0 0 0 0 0999 V2000 0.3365 5.1093 1.6061 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5150 1.5500 0.1288 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 1.0292 -1.9241 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 2.0544 -0.6888 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9155 -0.0140 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4955 1.2574 0.5485 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8504 -2.4122 0.6464 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -0.9885 -0.9247 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -2.9984 -0.3231 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 0.0093 -0.8137 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0371 -0.4900 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 -1.6520 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -2.0788 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 1.2955 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2751 -2.2168 1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3544 -2.7879 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -3.5477 1.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 0.3693 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 2.5303 -0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 1.2401 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 -2.1061 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 3.7096 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 2.4194 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 -0.8773 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0112 -2.7024 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2681 3.6541 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9878 -0.2451 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 -2.0702 1.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 -0.8416 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5096 1.0688 -0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 0.7325 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 0.2263 -1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1791 -3.8976 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4177 -3.2674 0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1906 -1.6944 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1953 -2.1374 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 -2.2482 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 -3.7609 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7306 -3.5934 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -3.4705 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9385 -4.4862 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4147 2.5890 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 0.2934 1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 4.6645 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 2.3609 2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.4074 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 -3.6618 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4676 -2.5352 2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3363 -0.3659 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5689 0.3338 -2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8681 1.7875 -1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8137 0.6196 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 30 1 0 0 0 0 5 18 1 0 0 0 0 5 31 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END > 56588819 > 1 > 3 18 169 153 172 54 127 99 82 81 148 48 168 120 70 59 128 31 130 23 1 137 171 83 113 42 7 103 49 74 97 73 123 95 94 75 161 156 21 163 62 105 29 55 135 140 134 20 109 50 157 162 40 122 159 108 11 88 91 114 84 132 86 92 87 147 141 158 71 150 110 38 101 106 90 61 44 166 160 35 15 77 46 41 8 154 164 67 119 129 45 118 80 143 76 16 78 142 136 53 124 28 17 145 5 151 115 19 96 72 139 68 60 133 26 144 89 131 30 43 64 34 121 111 146 66 167 100 112 22 170 155 85 125 10 4 65 25 33 57 13 152 126 9 117 107 116 98 14 79 2 165 104 63 102 138 27 12 36 51 39 69 56 32 24 37 52 58 6 47 149 93 > 40 1 -0.18 10 0.53 11 -0.12 12 -0.04 13 0.55 14 -0.14 15 0.14 16 0.51 17 0.37 18 0.71 19 -0.15 2 -0.34 20 -0.15 21 -0.14 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 0.18 27 -0.14 28 -0.15 29 -0.15 3 -0.34 30 1.16 31 0.28 33 0.4 4 -0.34 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.43 6 -0.57 7 -0.52 8 -0.7 9 -0.82 > 7.4 > 6 1 6 acceptor 1 9 donor 4 7 8 9 13 cation 6 14 19 20 22 23 26 rings 6 21 24 25 27 28 29 rings 6 7 8 10 11 12 13 rings > 31 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 035F7A1300000003 > 84.2172 > 30.447 > 10290309 65 18335434481723700330 10498660 4 18340777017607657118 10670039 82 18341345396784356188 10675989 125 18191581943977185653 10759866 29 18187369844197016934 10864689 126 18270683203278055784 10906281 52 18270128907598333165 11112241 14 16699756033295069624 12107698 1 18055349137528765798 12156800 1 15115144161921658672 12403260 363 18121210987675359070 12553582 1 18342738563304345912 12788726 201 18340771433817778416 13140716 1 18335714788848582051 13402501 40 18412544348690630170 14178342 30 17836358247235838650 14363568 33 18051141576874232305 14725015 67 18194662796684650890 14787075 74 18339072693032752487 14790565 3 18122068598661661017 14849402 71 18413113862515207713 15927050 60 17262725884924972607 20600515 1 18263658285773876471 20715895 44 17970902263758995309 20764821 26 18053920000214169528 21814621 53 16226326985378342009 22749437 52 17909541771219103776 23558518 356 17764592014804370651 23559900 14 18265340503794354294 27425 322 16370727071261101533 3298306 158 18338229487519781181 34797466 226 15410314638219775395 3493558 16 17967818227985074349 392239 28 18263933146359072267 5265222 85 16680357516929285204 532947 4 18127399275413549721 56638632 10 18199767963007562785 6004065 56 18199450199841455781 6036956 94 18262524804718091412 > 591.33 10.44 5.49 1.49 1.48 4.65 0.06 -1.07 -2.76 -0.03 2.65 -0.06 0.06 0.22 > 1259.723 > 331.5 > 2 5 10 $$$$