16122048 -OEChem-04252411233D 51 56 0 1 0 0 0 0 0999 V2000 -3.7058 0.8414 2.3948 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1515 -1.5902 2.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 2.9916 -0.6232 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 1.4899 -0.3421 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3517 -1.0806 -0.8016 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4599 -0.5700 -1.5129 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 -0.3777 0.6526 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 -2.0533 -0.0298 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0789 -2.8915 0.5361 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7278 4.0874 -1.0807 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 -2.8227 -2.1865 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -3.1713 -1.8152 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 0.4032 0.4241 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2308 1.6132 -0.4240 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0848 -0.4261 0.4612 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5888 0.1045 -0.1743 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5125 2.0449 0.2666 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1695 0.6890 0.6914 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0128 2.4760 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -0.8106 0.6776 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1316 -1.6650 1.4064 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4126 2.8837 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 1.8632 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3227 0.8300 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 -1.7977 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 -2.4352 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -1.1049 1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 0.8482 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 -0.3695 0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 0.7516 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 1.3171 -1.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 2.6386 1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 0.4828 0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 3.0856 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 3.1246 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.8704 1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -1.7292 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -0.5882 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3204 3.1660 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7263 2.3074 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 -2.9179 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 -2.4646 2.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.0813 1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4551 4.6509 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3718 4.6590 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3469 1.6620 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 -0.6736 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 -2.6998 -3.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2511 -3.7416 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 -4.1837 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 -2.7293 -2.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 21 1 0 0 0 0 2 42 1 0 0 0 0 3 23 2 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 15 1 0 0 0 0 5 26 1 0 0 0 0 5 38 1 0 0 0 0 6 16 1 0 0 0 0 6 25 2 0 0 0 0 7 20 1 0 0 0 0 7 24 1 0 0 0 0 7 27 1 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 8 41 1 0 0 0 0 9 21 1 0 0 0 0 9 26 2 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 25 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 26 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 28 2 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 46 1 0 0 0 0 29 47 1 0 0 0 0 M END > 16122048 > 0.6 > 1 > 38 1 -0.29 10 -0.99 11 -0.85 12 -0.85 15 0.37 16 0.55 18 0.29 19 0.3 2 -0.68 20 0.62 21 0.53 22 0.27 23 0.71 24 -0.24 25 0.55 26 0.55 27 -0.3 28 -0.15 29 -0.15 3 -0.57 38 0.4 4 -0.66 41 0.4 42 0.4 43 0.15 44 0.36 45 0.36 46 0.15 47 0.15 48 0.4 49 0.4 5 -0.82 50 0.4 51 0.4 6 -0.7 7 0.05 8 -0.82 9 -0.7 > 2.2 > 18 1 10 cation 1 10 donor 1 11 donor 1 12 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 5 donor 1 7 cation 1 8 donor 4 5 9 12 26 cation 4 6 8 11 25 cation 5 13 14 15 17 18 rings 5 4 13 14 16 19 rings 5 5 9 15 21 26 rings 5 6 8 16 20 25 rings 5 7 24 27 28 29 rings 6 4 7 16 20 23 24 rings > 29 > 8 > 0 > 0 > 0 > 0 > 1 > 9 > 00F600C000000001 > 110.8707 > 92.098 > 10616163 171 18410295847612281832 10906281 52 18338246993949268173 10948715 1 18193548970110250913 121448 382 12895063007728910556 12422481 6 18269297749600983819 12633257 1 18335993007754357256 12788726 201 18265592391051748115 13004483 165 18125708235262305287 13140716 1 18339650047758215712 13224815 77 18337396062169666720 13583140 156 17531243916140506089 14223421 5 18335991955555960448 15131766 46 15503812743401019708 16945 1 18408605837889288924 21033648 29 18126548051371178720 22182313 1 18122078506828985213 23227448 37 18409445864751810725 23559900 14 17830186709897054566 2748010 2 18049739420618653205 4340502 62 17417267467596048835 5104073 3 18411974798248279656 7097593 13 18187358788676760858 90525 40 18271245031537332302 9862522 239 18413385423546466268 > 542.11 7.31 3.94 1.68 6.37 0.57 0.31 2.4 2.53 -2.98 -1.97 -1.05 -1 0 > 1209.098 > 292.6 > 2 5 10 $$$$