65448934 -OEChem-03282413173D 41 41 0 0 0 0 0 0 0999 V2000 -1.3441 1.8729 0.8388 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.4853 1.9864 -0.7440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0923 -1.1384 1.7041 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8124 -1.3412 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 -0.0472 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 -1.0610 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1234 -0.3304 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -2.3552 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 0.9605 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9997 -2.1035 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4391 0.6741 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 -1.1989 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 1.9518 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7743 -0.3757 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7608 1.0161 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9352 -1.0367 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 1.7468 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0827 -0.3062 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 1.0857 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 -2.0081 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9748 -1.8623 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 0.4849 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 0.6108 0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.5620 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -0.3668 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3063 -0.8456 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4516 -1.0039 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6894 -2.8664 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 -3.0318 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6291 1.6280 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 1.4838 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 -1.6510 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 -3.0586 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 -0.0058 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6478 0.1729 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9913 2.6429 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3259 1.7239 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0982 2.4595 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 -2.1208 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 2.8324 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9805 -0.8348 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 M END > 65448934 > 1.2 > 1 68 48 25 32 67 58 52 29 65 2 38 3 20 62 37 72 17 4 45 16 63 36 69 21 23 12 66 13 46 5 60 51 14 71 30 24 9 64 42 44 70 33 28 53 40 39 55 6 35 19 61 8 22 15 41 11 7 54 10 18 49 56 34 59 47 50 27 26 43 57 31 > 14 1 -0.18 10 0.06 12 0.42 14 0.09 15 0.18 16 -0.15 17 -0.15 18 -0.15 19 0.18 2 -0.18 3 -0.57 39 0.15 40 0.15 41 0.15 > 9 > 3 1 13 hydrophobe 1 3 acceptor 6 14 15 16 17 18 19 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 03E6ABE600000001 > 25.1014 > 15.223 > 10299344 5 10087641524755957968 10411042 1 17762900266274945975 10730089 173 18343865532932241406 12596602 18 17821727243510488970 12633257 1 16153717543603140038 12838862 33 18339625794447276924 13288520 33 9727636102768239047 13402501 40 18343300379661149568 13551218 46 8430306944451006481 13668630 136 9871479720969180724 13673619 4 9871745797676050734 13911987 19 17561365075722103647 14123256 34 10159693607839376380 14251764 30 10807924973013901637 14350574 20 10447929469250062694 14556957 393 15769509724037510432 14729087 3 18411697712680632708 14931854 50 17989209209713503376 1768 4 18412554197779062953 17780758 139 12107781912958566030 1813 80 12966832508472767875 19784866 240 10231750110934791143 20281389 69 18409448112006124152 21150785 3 12607407715910158746 21298829 104 18338239267155844957 21403212 168 11602809174243710239 22288116 15 17488733601128605919 23035841 295 9295294937124947566 23559900 14 18271517684630735361 270888 7 18408602526501184788 2838139 119 18410008862256061548 351380 180 18410856542676399606 351380 3 10303813168513523940 5283384 27 18040988510831786781 543368 44 18340769244122987565 59682541 35 18260842514136908587 6327066 14 18412542111339814462 67856867 119 18192708947406358371 9981440 41 18260838089493172171 > 388.88 19.56 2.48 0.88 35.88 0.07 -0.19 -15.68 3.55 -0.65 0.13 -0.5 0.04 0.42 > 753.394 > 236.9 > 2 5 10 $$$$