5320287 -OEChem-03292409323D 38 40 0 0 0 0 0 0 0999 V2000 -0.5052 0.6667 0.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -2.7678 0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8947 2.4707 0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -2.2463 -0.1377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 -3.1511 -0.0707 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 1.0551 0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 0.7516 -2.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4016 -0.8434 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8554 0.4364 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 -0.4218 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 -0.0348 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 -1.7061 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4971 -2.0033 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7867 -1.0174 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 1.5527 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0758 1.3832 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 0.1005 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 0.1793 -1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 0.1175 1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 0.5454 -0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 0.6976 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7416 0.4835 1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2712 3.7521 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7342 -0.0001 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2103 2.5235 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7009 -0.0261 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0163 0.0631 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -0.0455 2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2206 0.6010 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -2.4398 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6977 -2.9436 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4347 1.0363 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 3.9446 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0704 4.5007 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7162 3.8817 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7327 0.4450 0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6058 -0.6170 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6477 -0.6200 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 30 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 13 2 0 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 7 20 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 22 2 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 29 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END > 5320287 > 0.6 > 3 5 6 4 7 2 8 1 > 32 1 -0.16 10 0.05 11 0.03 12 0.09 13 0.47 14 0.08 15 -0.15 16 0.08 17 -0.15 18 -0.15 19 -0.15 2 -0.53 20 0.08 21 0.08 22 -0.15 23 0.28 24 0.28 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.36 30 0.45 31 0.45 32 0.45 4 -0.53 5 -0.57 6 -0.36 7 -0.53 8 0.09 9 0.08 > 3 > 10 1 1 acceptor 1 2 donor 1 3 acceptor 1 4 donor 1 5 acceptor 1 6 acceptor 1 7 donor 6 1 8 9 10 12 13 rings 6 11 18 19 20 21 22 rings 6 8 9 14 15 16 17 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 65 > 00512E5F00000003 > 92.2883 > 50.776 > 10319926 262 18270379682053860786 10411042 1 17834674173443576523 10498660 4 18342177730638348601 10615611 76 17604167989660266413 10670039 82 18335708212773428900 11315181 36 18113897208299755488 11796584 16 18343022186593386310 12107183 9 18046333138001657850 12236239 1 17822286925088489474 12390115 104 18272100349011104633 12403259 415 17988636436937423680 12403814 3 17458337542428776325 12596602 18 17095529551396173145 12616971 3 17313107453767885876 12788726 201 17752779192620364907 12916748 109 18338521940480476922 13140716 1 17976260454694368011 13540713 5 18195227946484779675 14251764 75 17695636156550537121 14386348 63 17560807679688656770 15042514 8 18121780796950469763 15196674 1 18411135805592186451 16752209 62 18338514252236062883 16988056 13 15739920345384079181 17844677 252 18340491170174923616 18186145 218 17775290464642570539 19489759 90 18341891913301462771 20645477 70 16486988284384414830 21033650 10 18264513774397422380 21065201 7 18271806864899697658 21279426 13 18200881652101005102 22122407 14 16081088173538303517 23366157 5 17970628489216352931 23402539 116 18342170090181231172 23557571 272 18201721799064264624 23559900 14 18201727245610043918 23569943 247 16879607317001462562 25147074 1 18263626412648122819 2916195 48 18201993370020665616 38570 142 16879662421273529764 469060 322 18265916777394685065 474 4 17748828505385655251 5104073 3 18262525763006455707 5265222 85 18269561714576153558 5283173 99 18343581863058924968 59755656 215 18341334388736080270 6327066 14 18190452758837742909 7064713 232 18334294236477779189 7226269 152 18131350800144919208 7808743 9 18410009897369904369 9849439 229 18049162164631043261 9981440 41 18334862705770222163 > 452.82 12.91 2.88 1.02 10.95 0.06 -0.17 6.66 -0.1 -5.38 -0.01 1.58 0.22 -0.25 > 1001.002 > 242.4 > 2 5 10 $$$$