9635811 -OEChem-03282419013D 36 37 0 0 0 0 0 0 0999 V2000 -6.9618 -1.1586 -0.2691 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 0.6876 -0.1146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 -3.0057 0.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 1.3359 -0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0482 0.9447 -0.2007 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 -1.2088 0.0576 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 0.9483 -0.6085 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 0.4654 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 2.7693 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 -0.8571 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1949 0.1741 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 -1.8007 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 3.3796 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 -2.0777 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 0.6613 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7148 0.2115 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -0.0654 1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 0.0743 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -0.4916 1.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5541 -0.3517 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 -0.6348 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7348 3.0061 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0396 3.2538 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1942 1.9426 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -1.3107 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3499 3.1962 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 2.9767 1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 4.4631 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 -1.6263 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6334 -2.1626 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 -3.0740 0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 0.7427 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 0.0425 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6497 0.2874 -1.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3924 -0.7082 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9608 -0.4587 -2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 15 2 0 0 0 0 8 10 2 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 M END > 9635811 > 0.6 > 2 24 12 17 37 42 45 32 9 36 21 41 44 14 16 31 33 10 18 46 39 22 29 40 26 34 5 43 27 15 35 11 28 25 13 23 4 7 30 38 3 8 20 6 19 1 > 27 1 -0.18 10 -0.14 11 0.69 12 0.62 14 0.3 15 0.3 16 0.09 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 0.18 24 0.37 25 0.15 3 -0.57 32 0.06 33 0.15 34 0.15 35 0.15 36 0.15 4 -0.43 5 -0.54 6 -0.42 7 -0.49 8 0.21 9 0.37 > 4 > 6 1 2 acceptor 1 3 acceptor 1 5 donor 1 7 acceptor 6 16 17 18 19 20 21 rings 6 5 6 8 10 11 12 rings > 21 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 009307E300000002 > 56.0925 > 30.446 > 10447042 23 18334571326614412854 11796584 16 17095524019430615707 12107183 9 17551525344628403315 12236239 1 17989209248436306475 12516196 113 18413387635475696664 12553582 1 18342168956082959742 12596602 18 17489871539791816459 13402501 40 18040438810736656083 13533116 47 18341895255556301937 13544653 18 18336268955050219660 13685833 64 18333454253271486947 13862211 1 18336826403725684074 13911852 28 18339642222364666871 13955234 65 18197214969563933345 14252887 29 18059583455680463518 14386348 63 17822014211628966747 14863182 85 18411146827069092750 15537594 2 18343301491514172294 17492 89 18121778318986247114 17857418 61 18341894117326794791 1813 80 18201169762295727669 18222031 100 18272374157112229316 200 152 18341892996218868229 20028762 73 18272931609234231806 20645477 70 18187924027568149685 21250096 35 18410292484447173801 21267235 1 18412267199279178510 21285901 2 17676202446761754487 21641784 216 18042143002341759156 221357 26 18259698995979006533 2215653 11 18040710381982615855 22224240 67 18341607174930439736 2255824 54 18270123555246721149 23559900 14 17968658341174027013 2871803 45 18040715831700073914 3004659 81 17894911789574611682 314194 84 18411419522552258123 33824 294 18335137579566554746 3411729 13 15696858444600658544 3421961 26 18411134761957370569 345986 75 18131064883718175112 351380 3 18202563973378870511 46194498 28 17603586373973863309 465052 167 18342461465026118695 5104073 3 18267297639250129576 5283173 99 17678167209579540749 602551 16 15626211455319712279 67856867 119 17916583284302166729 > 402.38 13.83 2.69 0.99 11.44 1.17 -0.1 -7.96 0.18 -3.81 -0.38 1.15 0.13 -0.22 > 838.781 > 229.4 > 2 5 10 $$$$