2734224 -OEChem-03282412243D 37 37 0 0 0 0 0 0 0999 V2000 -2.5393 0.7014 -0.0927 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2168 -1.3354 -0.0886 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4669 0.9414 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 1.0816 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 2.0497 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -0.0166 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8771 1.9348 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2272 0.0805 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1201 -1.0791 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 -0.4403 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2865 0.5493 1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -1.0098 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 -0.7467 1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4281 -2.7106 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 0.9733 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 -0.0406 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 2.0591 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 1.0634 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 3.0265 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 2.0174 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9321 0.0268 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -0.9940 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8735 1.9718 -1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4778 2.7834 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6912 1.0349 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1312 0.0717 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -2.0340 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 -1.0606 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -0.6144 -1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 1.3899 1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 -1.8467 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 -1.0607 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 -0.0794 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3203 -1.3424 1.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -3.3758 0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4972 -2.8807 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8934 -2.9170 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 M CHG 1 2 1 M END > 2734224 > 0.8 > 1 117 14 96 68 115 78 43 73 42 59 8 111 93 29 55 61 5 114 69 11 113 49 27 89 102 81 40 7 35 17 24 2 98 94 112 119 105 65 16 10 6 15 13 28 109 85 51 19 101 32 36 30 64 76 22 74 57 52 100 20 79 31 48 45 47 46 103 116 71 54 41 110 108 70 18 67 33 50 107 3 12 53 34 120 84 26 23 106 60 63 44 58 66 82 37 88 39 62 56 4 9 80 25 75 72 38 118 83 87 97 77 90 99 92 95 86 104 21 91 > 10 1 -0.76 10 0.65 11 0.2 13 0.2 14 0.51 2 -0.76 29 0.15 30 0.15 34 0.15 7 0.51 > 7 > 5 1 12 hydrophobe 3 1 2 10 cation 3 3 4 5 hydrophobe 3 6 8 9 hydrophobe 5 1 2 10 11 13 rings > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0029B89000000001 > 3.3473 > 25.384 > 10968037 57 18340488962609076067 11046707 91 18410292518886150340 12757275 245 18408603639045465900 13167823 11 18187364273592415282 13740256 8 18412544323659460568 13911882 115 17917436389630339990 14123255 352 10592040250472785888 14123260 362 10087639325247425232 14251732 16 18411132568341918688 15880784 105 18272651285745495626 17780758 139 18060421291930355528 17834072 33 18259991470720455148 20281475 54 18339928220036853340 20621476 21 18059025986622900670 20621476 51 18200869703048787990 20621476 91 18340187679622862050 20828058 44 18341613681526460836 21713013 43 15792299344358653323 23402539 116 16732985267920290300 23402655 69 11458415839342216350 23403322 49 18334855034678477815 23559900 14 18337659893352861640 26918003 58 17989205919615320592 270888 7 9727094043720816515 27216 239 11023827305685107221 351380 3 18113621183589129562 49783359 22 18412259520003948274 559249 180 18334292033660209089 57265010 4 17632302250394742393 59345605 10 18411132546365727226 7062679 117 18333735711136672718 7062679 6 10519697921905420178 76465 3 18339077202173283199 > 278.15 12.22 2.26 0.9 20.7 0.53 -0.11 7.72 -2.19 -2.26 0.36 -0.59 0.05 -0.35 > 534.909 > 172 > 2 5 10 $$$$