6858523 -OEChem-03292405413D 31 31 0 0 0 0 0 0 0999 V2000 1.7415 -2.9683 0.6217 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0076 0.0087 0.3471 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5008 1.4730 -1.1704 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2668 1.9669 0.9343 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1683 2.1080 1.3687 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4897 -2.6535 -1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1575 1.7188 -0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 -2.2421 1.0924 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 -0.8317 -0.0887 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2386 0.0170 -0.4401 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3314 0.9019 -0.3392 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7329 0.2804 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3515 0.8468 0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4477 -0.4469 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.4567 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0798 -0.4019 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 -0.8734 0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -1.3170 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 1.2963 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0812 0.9624 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 1.5879 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5829 -1.8901 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 1.0880 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4243 -0.4061 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 0.0364 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6497 1.5403 0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1986 -1.5649 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 -1.7423 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7858 2.3443 -0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0041 2.5911 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5603 -3.6100 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 30 1 0 0 0 0 6 22 1 0 0 0 0 6 31 1 0 0 0 0 7 21 2 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 28 1 0 0 0 0 10 14 2 0 0 0 0 11 16 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 21 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 19 29 1 0 0 0 0 M END > 6858523 > 0.8 > 1 54 59 46 22 15 42 49 50 58 13 53 8 48 29 52 37 27 31 51 25 60 12 55 26 62 33 32 18 41 7 3 34 24 23 56 38 20 43 40 36 57 4 35 45 17 44 6 28 47 16 61 30 2 10 19 9 5 39 21 14 11 > 27 1 -0.18 10 -0.49 11 -0.62 12 0.06 13 0.06 14 0.39 15 -0.14 16 0.41 17 -0.15 18 0.18 19 0.16 2 -0.34 20 1.16 21 0.66 22 0.72 27 0.15 28 0.4 29 0.15 3 -0.34 30 0.5 31 0.5 4 -0.34 5 -0.65 6 -0.65 7 -0.57 8 -0.57 9 -0.46 > 7 > 10 1 10 acceptor 1 11 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 donor 3 5 7 21 anion 3 6 8 22 anion 6 11 15 16 17 18 19 rings > 22 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 0068A71B00000001 > 51.3083 > 50.865 > 10 15 17530688714360957557 10493431 412 18333733507528559371 11089746 13 17917422129431373584 12390115 104 18339936986196843307 12616971 3 17022902389028974028 12788726 201 17488747757567731673 13785724 45 17331963824897939155 14251764 75 18412550898848163577 14790565 3 18117284859623480692 15196674 1 18335699477247765646 15778101 99 18411422834035087086 167882 2 17488189197187171871 17980427 23 17386292115833037086 20281389 69 18407755932797710701 20645477 56 18113330895524039893 20681677 155 18412261748553963299 21033648 29 18200020889215506384 21421861 104 17896590705307369946 23402539 116 18341325704185308310 23402655 69 18412260662122435782 23559900 14 18341889650624597642 25147074 1 18338779166199019631 300161 21 18341325643327889133 34934 24 18410289203187332487 3545911 37 18408886230513219973 465052 167 8574421058537274665 5104073 3 18260258681488355570 59755656 215 18271251517417809092 633830 44 18339920519608566662 8272917 22 18338235968815718110 > 394.38 14.73 2.71 0.95 4.74 1.55 0.04 -11.99 1.47 0.88 0.33 0.6 -0.06 -0.91 > 812.459 > 227.7 > 2 5 10 $$$$