7338 -OEChem-03282417473D 24 24 0 0 0 0 0 0 0999 V2000 -1.9654 1.5921 0.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1931 -0.8556 0.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 -0.5728 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 0.4741 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 0.5648 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3326 -1.8011 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 -0.7542 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0592 -1.8918 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 -0.4783 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 0.6534 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 0.7017 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 2.3678 -0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 1.5344 0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 -2.6983 -0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 -2.8548 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9342 -1.4151 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6393 1.6096 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 1.0864 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 1.3691 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 -0.2846 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 1.7737 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4262 2.7473 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 3.2184 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4394 -1.7789 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 24 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 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 3 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > 7338 > 0.6 > 2 1 > 18 1 -0.36 10 -0.29 11 0.14 12 0.28 13 0.15 14 0.15 15 0.15 16 0.15 17 0.15 2 -0.53 24 0.45 3 0.03 4 0.08 5 -0.15 6 -0.15 7 0.08 8 -0.15 9 -0.18 > 2 > 4 1 1 acceptor 1 11 hydrophobe 1 2 donor 6 3 4 5 6 7 8 rings > 12 > 0 > 0 > 0 > 1 > 0 > 1 > 3 > 00001CAA00000002 > 39.1114 > 20.297 > 10608611 8 18342737446992826016 11206711 2 18342448257837912669 13024252 1 11314296269983272995 13380535 76 18266453201002344355 14325111 11 18411702058807611258 14614273 12 18409167679962752581 14897335 6 18337947866403438436 15775835 57 18335143051159587592 16945 1 18340195392624651819 18186145 218 18129672893961311244 20510252 161 18343868818165628224 20645477 56 18343305907399701224 20871998 184 18129951207283384375 21501502 16 18266734693027243875 21524375 3 18265890268007155280 23402539 116 18341604979527171655 23552423 10 18265615377210632266 23559900 14 18131352969873269926 2748010 2 18268719302904339527 305870 269 18187927210286713178 53812653 8 18409725170817841106 6333449 129 18413106151940784296 > 235.22 5.77 2.12 0.67 6.29 0.38 -0.02 2.23 -0.28 -1.73 -0.32 -0.08 0.09 0.11 > 482.287 > 137.1 > 2 5 10 $$$$