67124554 -OEChem-04232408143D 45 48 0 0 0 0 0 0 0999 V2000 9.8512 -0.4010 -0.1678 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4288 -1.5123 -0.6478 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 -0.2892 0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 2.3719 1.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4357 1.9565 -0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5441 1.0234 -0.1908 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 0.1136 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7323 0.0441 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 0.2090 -0.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9665 -0.8483 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8294 0.5272 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 -0.1560 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 0.2525 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.4841 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 0.5766 -0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 -0.6190 1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 0.4418 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -0.8073 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 -0.7073 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2049 -1.4979 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9738 1.2769 0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3215 -0.7329 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2098 0.6366 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0015 -0.7552 -1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1005 -0.5644 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 1.5921 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3914 -0.6603 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4906 -0.4695 1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1361 -0.5175 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0149 -0.3269 -1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0963 1.2831 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 -0.8472 2.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 1.0421 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8368 -1.0846 2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 0.8210 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 -1.8216 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2997 -2.5668 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8978 2.3473 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2896 -1.2162 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0893 1.2155 0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -0.8669 -2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6113 -0.5254 2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 -0.6992 -2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0579 -0.3584 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 3.2560 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 26 1 0 0 0 0 4 45 1 0 0 0 0 5 26 2 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 13 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 21 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 27 1 0 0 0 0 24 41 1 0 0 0 0 25 28 2 0 0 0 0 25 42 1 0 0 0 0 27 29 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 M END > 67124554 > 0.8 > 1 77 26 50 101 119 111 69 159 82 18 128 94 148 150 80 151 41 115 35 139 135 79 19 10 25 104 143 89 103 141 90 20 129 131 138 5 120 116 137 68 12 97 162 23 121 62 117 98 142 118 160 95 30 134 88 9 76 149 140 45 113 54 52 46 147 109 107 47 114 64 144 112 66 96 136 124 29 67 22 132 83 154 153 53 43 123 106 158 122 63 91 125 133 102 157 100 28 57 24 42 161 60 40 34 126 49 39 7 61 17 27 44 74 127 105 70 155 4 36 71 14 48 75 38 146 110 55 86 92 152 2 16 58 21 59 37 81 51 145 93 78 33 8 108 3 130 31 73 84 32 11 56 65 13 72 156 85 15 6 99 87 > 43 1 -0.18 10 0.04 11 0.23 12 0.08 13 -0.01 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.18 19 0.03 2 -0.08 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 0.71 27 -0.15 28 -0.15 29 0.18 3 -0.36 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.65 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.5 5 -0.57 6 -0.57 7 0.03 8 0.2 9 0.46 > 6 > 9 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 3 4 5 26 anion 5 2 6 8 10 11 rings 6 10 11 20 21 22 23 rings 6 19 24 25 27 28 29 rings 6 7 12 14 15 16 17 rings > 29 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 04003D4A00000001 > 91.5228 > 45.803 > 10 15 14405186174866334351 10050765 1 17898860307238172555 10076449 9 17167861954431580133 10299344 5 18187364329179258599 10674148 151 18412823599006631467 10883706 142 13118000007837798672 11135926 11 18272362063049216631 11315181 36 11386364834559593951 11719270 70 17346883338144229247 12089408 11 18040434377950227803 12236239 1 18335420180288582781 12664476 115 17748824107708675965 12741549 16 18409162209051033028 13885169 127 17988926643978110217 14251764 18 17749107777017723675 14251764 46 18412263934597390823 14933364 13 18412544328007292325 15131766 46 17698714045287682984 15183329 4 18410015424659952714 15247644 1 17385722483037610890 15328684 2 17897152538269192641 15419008 47 17560510733760361816 15510794 2 17704073992763407662 15849732 13 17418089919536752292 16120349 18 17023188249810761844 16728433 110 17095525119216842388 1754911 235 12829206685294767195 19301679 30 17916308226243804166 19315958 150 16773795905628179758 20771845 171 18113911416938548174 21150785 3 16225766315440436831 21267235 1 18335138687182762092 21792934 111 17060615599106823673 21792961 116 17132116797685774873 232437 2 18333449825207813810 249057 3 18342455962777198023 335352 9 17530967994862334174 335507 130 18342175583850818711 33684 2 14851605475086620438 4073 2 18114465677571405027 45377200 153 16153718665148436817 4625314 4 11674887696944919811 5219985 9 17822008705138372837 5283156 175 17346883346775893442 67123 10 18334858320581640910 9663363 56 15697997422762031346 > 579.94 34.14 1.42 1.11 18.29 0.49 -0.07 -5.89 0.17 0.46 0.02 -1.29 -0.06 -0.28 > 1255.822 > 318.1 > 2 5 10 $$$$