65433663 -OEChem-03292402043D 32 33 0 0 0 0 0 0 0999 V2000 -1.0393 -2.2731 -0.7088 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 2.4239 -0.5513 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6984 2.0632 0.4049 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 1.5914 -0.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -0.4900 0.1071 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 -2.5949 0.7771 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 -0.1025 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.2800 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 0.4165 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 0.7379 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8274 -1.3096 0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -1.4557 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 0.9811 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1949 0.2253 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -1.0780 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3538 -1.9683 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8152 1.2126 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4222 -1.1278 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6969 0.1829 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 2.8451 0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 -1.4186 0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 1.8332 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0736 0.8155 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -1.8712 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 -3.0217 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4308 -1.5282 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7677 0.3636 0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0116 -3.3234 1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 -2.8144 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 3.8711 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3235 2.5145 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5535 2.8803 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 21 1 0 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 18 2 0 0 0 0 14 23 1 0 0 0 0 15 19 2 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > 65433663 > 0.6 > 5 28 18 2 30 20 23 13 24 27 12 7 31 29 4 22 10 6 19 26 16 11 8 15 9 14 21 25 3 1 17 > 29 1 -0.19 10 0.08 11 0.1 12 0.19 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.19 18 -0.15 19 -0.15 2 -0.19 20 0.28 21 0.37 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.4 29 0.4 3 -0.36 4 -0.57 5 -0.55 6 -0.9 7 0.09 8 0.12 9 0.54 > 4 > 7 1 3 acceptor 1 4 acceptor 1 5 donor 1 6 cation 1 6 donor 6 7 10 12 14 16 18 rings 6 8 11 13 15 17 19 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 03E6703F00000005 > 80.2344 > 35.533 > 10616163 171 18412545422411946407 12107183 9 17905606592774288706 12173636 292 18271799125289106389 12236239 1 18333449867840657383 12251169 10 18411417284816105798 12390115 104 17916042187147661329 12633257 1 18191298278445763218 12670546 56 18342452660063359245 13140716 1 18265055717571061155 13167823 11 18410292510349060706 14289901 80 18410292514511912728 15042514 8 18269558407056255255 15196674 1 18409729573127365598 15239154 128 18411983559253802672 15442244 35 18337952268829358418 15536298 74 18411136948427780182 17492 89 18410575054683691419 1813 80 17095813126495730414 19050596 39 18408600366443890730 19422 9 18408603651777412994 200 152 18338227267391090719 20281475 54 18409441466942780482 20510252 161 18202570566364406633 21065198 48 18408884023079286954 21267235 1 18409455790727589646 23402539 116 18201431502709778101 23463225 33 18409445852057202783 23503953 91 18338228250543027744 23559900 14 17844255029761796710 245318 6 16811244377953919836 4214541 1 18411418380038131936 474 4 17750237074797799972 5104073 3 18408318861449889080 573450 72 18410848841609965227 58051976 100 18336547114301329551 7097593 13 18045774581552054882 77779 3 18411138034827529306 9709674 26 18410016520056649722 9981440 41 17181375227173565273 > 375.34 10.11 2.72 0.74 3.09 0.52 0.02 1.63 0.75 -1.11 0.16 0.01 -0.01 -1.46 > 813.809 > 205.3 > 2 5 10 $$$$