43202467 -OEChem-03292406253D 38 40 0 1 0 0 0 0 0999 V2000 -3.4010 -3.3798 0.0037 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 3.2568 0.3479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 0.4873 -0.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9269 2.2742 -0.1588 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1879 0.8588 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 0.9820 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 -0.0315 1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 -0.2792 -1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4448 -1.5466 1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -1.4463 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9992 -2.1743 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 0.8244 0.5312 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4537 0.0784 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 2.2835 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4396 0.9815 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -1.2748 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7161 0.5865 -0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0151 -1.7018 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 -0.7790 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 1.8753 0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2192 1.3683 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0598 1.7512 -1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9427 0.2457 2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5772 0.2047 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 -0.0168 -2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 -0.5914 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 -1.8531 1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 -2.0028 2.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9028 -1.1251 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 -2.1652 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 -2.2851 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 -3.1980 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 0.9333 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 0.7204 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4637 3.0949 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9657 -1.9799 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4726 1.2998 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9971 -1.1213 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 33 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 M END > 43202467 > 0.6 > 3 16 23 21 17 12 8 18 20 22 9 6 25 4 1 19 15 13 24 2 10 14 7 5 11 > 18 1 -0.18 12 0.47 13 -0.14 14 0.57 15 0.12 16 -0.15 17 -0.15 18 0.18 19 -0.15 2 -0.57 3 -0.9 33 0.36 35 0.37 36 0.15 37 0.15 38 0.15 4 -0.55 5 0.27 > 3.8 > 7 1 2 acceptor 1 3 cation 1 3 donor 1 4 donor 5 4 12 13 14 15 rings 6 13 15 16 17 18 19 rings 7 5 6 7 8 9 10 11 rings > 19 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 029337A300000003 > 42.1383 > 35.61 > 10498660 4 18408886256483678710 10616163 171 18411704261736054814 11578080 2 17460842233975194348 12553582 1 18410009974726398691 13296908 3 18343300396281329658 14790565 3 18051418366580400721 14863182 85 17110725021388343269 16752209 62 18192701259593642401 16945 1 18410285935118257417 18915474 69 18408046212557254454 19862831 5 17968100802414869830 20281475 54 18412266172581151273 20291156 8 18410576210002708215 20645477 70 17834950150851163783 21634736 98 18334018276687053286 221490 88 18265619972825223226 23184049 29 18338508651856769146 23379529 103 18200891599303902430 23557571 272 18272075072822476392 23559900 14 18412820283592467900 2871803 45 18409169934957895406 3004659 81 18187359900682997510 3082319 5 18040720242546895918 314173 41 18338519754368328095 4280585 95 17475809650153168918 633830 44 12324506615829205963 67856867 119 18260546762610212876 7364860 26 17981323700970633289 9709674 26 18412537717224435810 > 377.05 7.97 3.18 1.06 0.7 0.16 -0.05 4.58 2.08 -1.72 -0.24 1.07 0.15 -0.02 > 790.835 > 212.6 > 2 5 10 $$$$