2824808 -OEChem-06191315073D 34 35 0 0 0 0 0 0 0999 V2000 -4.4093 -1.9304 1.5449 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0614 2.2125 0.3006 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1126 -0.9249 -1.1535 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 2.7486 -0.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4869 1.2898 0.9035 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 -0.3020 1.1513 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8783 0.0341 -1.2325 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 0.7275 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5324 2.6079 1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6404 -1.6249 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -1.2991 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 2.2407 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6188 -2.1857 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 0.4491 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3661 -0.2115 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1119 1.1058 -0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5346 -0.7723 0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2804 0.5449 -1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 -2.5040 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 -1.8121 -2.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -0.3942 -0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 3.6835 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5132 2.0897 2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 0.9596 1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 -3.2523 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -0.5063 2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 1.8257 -1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6377 0.8383 -2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -3.2300 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 -1.9172 3.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -3.0405 2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 -2.3232 -2.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -0.9937 -3.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5575 -2.5110 -2.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 21 1 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 10 2 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 13 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 21 2 0 0 0 0 18 21 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 M END > 2824808 > 0.8 > 1 95 111 115 71 27 116 112 97 50 87 6 118 57 70 17 3 19 62 4 107 66 103 45 109 114 67 34 18 81 104 91 61 100 117 76 22 43 58 35 88 37 2 64 12 89 68 83 79 16 59 121 105 86 93 119 41 78 53 51 36 32 90 29 60 72 101 38 99 44 24 8 84 28 54 77 82 94 20 10 75 55 26 65 11 13 85 14 80 52 74 5 98 9 15 102 42 69 63 56 113 110 31 30 7 23 47 73 46 122 106 39 33 49 96 48 108 92 40 120 25 21 > 26 1 -0.18 10 0.17 11 0.17 12 0.57 13 -0.15 14 0.72 15 -0.15 16 -0.15 17 0.18 18 -0.15 19 0.14 2 -0.33 20 0.14 21 0.19 24 0.37 25 0.15 26 0.15 27 0.15 28 0.15 3 -0.19 4 -0.57 5 -0.55 6 -0.62 7 -0.62 8 0.12 9 0.29 > 5 > 6 1 4 acceptor 1 5 donor 1 6 acceptor 3 6 7 14 cation 6 6 7 10 11 13 14 rings 6 8 15 16 17 18 21 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 002B1A6800000001 > 48.8359 > 30.446 > 11595378 159 15769509702609957563 12156800 1 12766090087679672994 12363563 72 18268423547214032762 12553582 1 18194973945585232106 12596599 1 18130233631584718859 12707595 3 18412830174437563163 13083527 12 18264466448379907648 13464513 79 18131068251594831700 13533116 47 17846221111619260915 14848160 33 18412256229452377079 15635459 17 18411699910854536279 15664445 248 17750244758172896765 17138139 8 16336071748759063141 20645477 70 18271516598103755301 21315764 371 15983955190173614415 2255824 54 17986670591604288488 23466295 7 15759975570718368086 23557571 272 17770486539843713240 23559900 14 17822002120947732401 5262128 65 18200042737460595082 6669772 16 18195810889769452780 81228 2 17624977127847863288 > 409.8 8.61 3.15 2.03 8.89 0.76 0.63 -4.45 0.87 -2.57 -0.75 -0.89 -1.34 1.23 > 843.114 > 239.3 > 2 5 10 $$$$