2723 -OEChem-03292406013D 19 19 0 0 0 0 0 0 0999 V2000 2.8088 -0.0004 -0.0011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 0.0002 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 1.2080 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 -1.2079 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 0.0000 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 1.2082 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 -1.2078 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 0.0003 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 2.5259 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -2.5263 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 2.1430 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 -2.1464 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 2.6290 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 2.6295 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 3.3659 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 -2.6303 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -2.6297 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3811 -3.3662 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 -0.9196 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END > 2723 > 0.4 > 1 > 13 1 -0.18 10 0.14 11 0.15 12 0.15 19 0.45 2 -0.53 3 -0.14 4 -0.14 5 0.18 6 -0.15 7 -0.15 8 0.08 9 0.14 > 0 > 2 1 2 donor 6 3 4 5 6 7 8 rings > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 00000AA300000001 > 24.7702 > 10.148 > 12423570 1 9891011517595172845 161256 15 18125726682004195902 16945 1 18410855460270580101 18185500 45 18339923714515601679 193761 8 17689997838856464608 21040471 1 17906171007338177857 2334 1 17978228592870268431 23402655 69 18195226847120891149 23552423 10 17973451996558360678 241688 4 17906173953643246465 2748010 2 18120937475483067055 29004967 10 18335708199919791883 5084963 1 18058731436810308601 > 201.8 3.06 2.51 0.61 0.71 0 0 0 0 -1.04 0 -0.04 0 0 > 410.239 > 120.3 > 2 5 10 $$$$