16193343 -OEChem-04262414463D 56 58 0 1 0 0 0 0 0999 V2000 -0.6106 -2.0205 2.6938 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 1.6327 -1.2828 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5762 4.1319 -0.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5761 1.1592 -1.3282 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 -0.5893 0.4117 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.5216 2.6659 1.1587 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 -0.2711 0.1667 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 0.3271 1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8155 1.7912 0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6826 -1.8823 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 2.8016 1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7001 -1.8318 -0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5780 -0.7673 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0501 -0.1181 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -0.7054 0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0848 0.9165 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9719 3.3472 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 3.0198 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -2.6618 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9112 -0.9557 -2.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 1.3121 -1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5496 0.7302 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 -0.5403 0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -1.7035 1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7559 -0.8845 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 -1.5276 1.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0607 -2.1122 2.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6688 -2.6154 -1.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -0.9094 -3.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8799 -1.7393 -3.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4072 0.1176 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 0.2013 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 1.9848 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 1.9844 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2089 -2.2427 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -2.6368 -0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 3.8193 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 2.6624 2.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 -1.2044 2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1104 0.1800 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2639 -1.4250 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9389 2.0291 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 3.8965 -0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 2.7949 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 2.0764 -1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 -3.3547 -0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7825 -0.3086 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0971 -0.1098 0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1647 -2.1845 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6127 -0.4643 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9034 -0.6973 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7277 -1.9590 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0856 -2.8836 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -3.2613 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1665 -0.2296 -3.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 -1.7028 -3.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 42 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 21 2 0 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 28 1 0 0 0 0 19 46 1 0 0 0 0 20 29 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 27 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 M END > 16193343 > 1.4 > 2 24 22 66 97 148 171 123 196 14 125 194 112 106 63 113 215 34 167 35 190 203 179 200 103 208 37 161 1 204 49 156 186 33 65 128 74 3 120 165 147 110 5 191 32 135 21 177 111 102 46 80 41 85 25 172 100 43 105 122 119 89 157 86 52 109 11 56 104 126 124 107 155 199 82 130 23 94 209 151 189 29 184 101 53 75 7 212 198 163 44 187 84 137 64 96 121 99 145 140 76 182 45 9 40 39 201 61 158 67 141 213 91 4 59 88 129 195 6 79 202 176 73 60 48 116 193 38 160 169 178 183 16 211 214 83 164 166 92 181 51 127 19 206 71 18 28 93 180 144 8 170 95 26 108 58 174 42 20 57 153 62 136 77 70 192 197 152 139 142 173 36 205 78 50 131 27 12 98 30 90 15 55 149 146 54 47 175 210 168 10 81 132 154 118 31 87 68 72 162 185 188 117 134 207 159 17 115 133 69 13 143 114 138 150 > 39 1 -0.18 10 0.41 11 0.3 12 -0.14 13 0.27 14 0.03 15 0.12 16 0.07 17 0.57 18 0.29 19 -0.15 2 -0.33 20 -0.15 21 -0.14 22 0.62 23 -0.15 24 -0.15 25 0.3 26 0.18 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 -0.15 4 -0.57 42 0.37 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.81 53 0.15 54 0.15 55 0.15 56 0.15 6 -0.73 7 -0.48 8 0.27 > 10 > 7 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 donor 6 12 19 20 28 29 30 rings 6 14 15 23 24 26 27 rings 6 7 14 15 16 21 22 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00F7173F00000002 > 73.5901 > 35.544 > 10165383 225 16988578878963362043 11828532 37 15624804167501686519 12104220 1 18041283244699782188 12107698 1 18340494486211052755 12156800 1 16960199422471373207 12422481 6 17984697823326587090 12553582 1 18340195388324156604 12788726 201 18124285273836933821 13615921 28 18264210395082285575 14114206 34 18264750177823922069 14279260 333 18260827052302823314 15403338 16 18186800288605000027 19026451 147 16907751833205757023 19319366 153 18115594901144130602 20511986 3 18334571309055235944 21033648 29 16917352506856865267 23598288 3 18192699051764167825 238918 7 17632026251432697991 35225 105 17485894516250794557 445580 8 18341049631955643971 57527306 92 18412545444508807417 6438718 38 18342185435893677512 > 596.42 9.59 4 2.81 5.55 3.45 -0.92 -0.76 1.34 -2.48 0.21 -1.02 -2.01 -2.89 > 1232.472 > 343.7 > 2 5 10 $$$$