11539510 -OEChem-03282408253D 53 56 0 1 0 0 0 0 0999 V2000 7.2015 1.3512 -0.4165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6562 -0.7179 0.6029 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 -1.9926 -0.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 4.0927 -0.3846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 3.2472 -2.1688 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9306 0.4463 0.1970 N 0 0 2 0 0 0 0 0 0 0 0 0 1.9250 -2.9007 0.0475 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7717 -1.9726 -0.1915 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4376 -1.7729 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 -0.8712 0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2321 -0.3526 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 0.6810 -1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 1.2515 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -2.1756 0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0459 1.8873 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5906 1.4533 1.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 -2.1817 0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9816 2.6944 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 2.2606 2.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 2.8810 1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -3.2307 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 -1.6028 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 3.3424 -0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 -4.6505 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 -0.8861 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -1.4584 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4628 0.3770 0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5677 -0.7662 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6653 1.0691 0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7177 0.4976 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0797 -2.9492 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 -2.4867 -2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 -1.9681 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7156 -0.9769 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2329 -0.9589 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 -0.2177 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1779 -0.2142 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7345 0.5802 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 1.6990 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8602 -1.3781 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9852 -3.1276 1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2227 1.7428 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 0.9999 2.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3268 2.4088 3.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 3.5007 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 -5.2609 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 -4.7675 -0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -5.0459 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2712 -2.4406 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 0.8671 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 4.5248 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -1.2234 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7706 2.0509 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 23 1 0 0 0 0 4 51 1 0 0 0 0 5 23 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 21 1 0 0 0 0 7 22 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 2 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 17 21 2 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 M END > 11539510 > 1 > 10 149 49 75 22 2 169 143 135 144 202 104 100 160 192 88 124 193 13 156 184 214 145 114 106 152 86 178 146 84 69 93 164 195 162 163 213 30 97 74 179 4 150 208 73 52 7 103 176 72 62 147 11 158 183 206 174 95 212 20 121 33 54 109 23 90 218 182 165 1 55 8 43 68 21 112 32 177 190 19 60 204 89 40 80 53 191 79 117 26 39 36 28 133 198 56 170 3 142 207 181 96 57 77 5 78 186 141 171 215 76 167 38 217 116 34 15 81 27 129 194 151 101 155 42 110 63 37 209 137 16 189 71 139 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11513181 2 17914059960829202612 13402501 40 18412824720377853544 13911987 19 18336819879259132503 13947920 24 18260820506112768060 14840074 17 18262532398372692441 14931854 50 18341601612573297279 15183329 4 18409452450055637678 15297060 5 18272099274873460144 16992787 43 18338232662424162277 17492 54 18188192261355703201 18336668 15 17968380155525132740 19958102 18 18411143511665504822 20642791 178 18190193441496422457 20775438 99 16689599951832739063 21304303 64 18187083911076077197 21623110 236 18411991272951957936 22113638 7 18264488558322706622 238 59 16387874689688903653 469060 322 18188506721422700363 484989 97 17974281333939009463 50150288 127 16986886631346182969 57527585 103 17751953360550799475 6371009 1 18338505336675299394 > 595.54 11.83 5.03 1.59 16.71 0.28 0.04 -0.34 3.87 -0.87 0 -1.77 -1.04 -0.82 > 1266.767 > 335.3 > 2 5 10 $$$$