69532515 -OEChem-04242423483D 62 66 0 0 0 0 0 0 0999 V2000 7.3439 1.0478 2.0176 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 1.3750 -0.9117 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 -1.6980 0.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9263 0.1560 2.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4938 4.2307 -2.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 2.9138 0.1029 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3311 -3.5655 -1.3447 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -0.8699 0.5726 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5279 -2.6788 -0.9037 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6403 -1.4640 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6994 -1.9808 0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8427 -2.1715 -0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -2.1419 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 -1.6913 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3071 2.6041 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 4.3515 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 2.4837 -1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3703 -0.7663 1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 2.4890 2.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 4.6523 -1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 2.8278 -2.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -2.6255 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2555 1.4029 2.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -0.7778 1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 -2.6596 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5838 -1.7203 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -1.7854 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 -3.5259 -1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0467 -0.3011 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9776 0.0508 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3357 -0.0873 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1977 0.6165 0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5557 0.4786 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 0.8304 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5702 -0.3928 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3456 -1.2559 1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4829 -2.8547 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7242 -3.1738 -1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5853 -1.5747 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8569 -1.8807 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4248 -3.2314 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 3.3535 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8423 1.6481 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 4.6800 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 4.9321 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 2.9790 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 1.4005 -1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7763 3.4426 2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8223 2.2344 3.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 4.1640 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5113 5.7305 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 2.5617 -3.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8078 2.2769 -2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -3.3770 -0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 1.3427 3.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 1.6747 1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6405 -0.0791 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.7719 1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 -4.2580 -2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 -0.1171 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 -0.3394 -1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7797 0.6486 -2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 34 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 25 1 0 0 0 0 7 28 2 0 0 0 0 8 27 1 0 0 0 0 8 29 1 0 0 0 0 8 58 1 0 0 0 0 9 27 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 18 2 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 21 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 24 1 0 0 0 0 19 23 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 25 2 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 M END > 69532515 > 1.2 > 6 81 68 20 35 80 64 82 71 77 46 45 79 36 49 61 76 23 30 11 65 22 72 60 19 31 27 58 38 56 78 55 54 73 1 13 5 44 51 34 10 57 75 74 52 9 62 37 25 70 47 59 29 69 16 66 28 48 63 8 32 2 41 18 21 15 67 4 12 14 40 33 43 39 7 26 50 3 53 42 24 17 > 44 1 -0.18 10 -0.19 11 -0.2 12 -0.2 13 0.38 14 0.08 15 0.27 16 0.27 17 0.27 18 0.08 2 -0.19 20 0.28 21 0.28 22 -0.15 23 0.28 24 -0.15 25 0.31 27 0.41 28 0.47 29 0.1 3 -0.36 30 -0.15 31 -0.15 32 0.18 33 -0.15 34 0.19 35 0.1 36 0.1 37 0.1 38 0.1 39 0.1 4 -0.36 5 -0.56 54 0.15 57 0.15 58 0.4 59 0.15 6 -0.81 60 0.15 61 0.15 62 0.15 7 -0.62 8 -0.6 9 -0.62 > 11.8 > 11 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 8 donor 3 7 9 28 cation 3 8 9 27 cation 6 14 18 22 24 25 26 rings 6 29 30 31 32 33 34 rings 6 5 6 16 17 20 21 rings 6 7 9 25 26 27 28 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0424FB6300000006 > 112.39 > 55.998 > 10670039 82 18341910597179463774 12422481 6 17968938566620852492 12522641 126 17547851211188807423 12788726 201 18114170939566554523 13560911 43 18187361090468293728 13947920 24 18335409133363750405 14020679 6 9007063452660637709 14068700 675 18271248347521369757 14294032 229 18342464733100338504 14415361 192 18263622082946556032 14932701 244 17989202659566363781 15575132 122 18411703205474299514 15961568 22 18408606976467300311 17899979 19 18264494064771661677 19309040 13 16915112698249622361 21033648 144 18196653999763871692 21049683 271 18270119158117990979 21639891 77 17606977354108421195 21641784 216 18338249210341836071 21716022 299 16120460830673861159 21859007 373 18339355259469200486 22122407 14 17168435973111861316 25019877 29 17417542427002331663 4408954 64 12676891447353533925 469060 322 18337685169514362985 5486654 36 9583227323707648770 7237137 82 18413670201748471809 > 656.77 16.39 5.69 2.13 20.45 4.87 0.17 -0.05 0.27 -7.86 -3.06 -0.12 1.89 1.4 > 1401.438 > 365.9 > 2 5 10 $$$$