56593116 -OEChem-05132414383D 62 66 0 0 0 0 0 0 0999 V2000 0.5134 2.2039 -2.3427 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2023 0.6996 -1.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 1.7308 -0.5524 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 1.2855 -0.4941 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 0.8857 -1.1561 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 1.3767 0.8554 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 0.8540 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -0.0667 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 1.8627 -1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3815 0.7250 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0122 2.6340 -1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8845 0.0421 -1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7354 -0.5588 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 1.7562 -1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 -1.8256 0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 0.1506 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 0.1409 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 0.6391 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -2.3832 1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6136 -0.4068 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7932 -1.4108 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7831 0.5698 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 0.9366 1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 -1.6738 1.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9753 -1.9516 -1.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2132 -0.3327 1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7108 -2.2436 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3293 1.8521 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0751 -3.3252 -1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1897 0.0471 2.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8105 -3.6170 -0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3057 2.2320 1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9927 -4.1579 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7359 1.3295 2.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0786 1.4268 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 -0.7320 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 -0.7013 -0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 1.3361 -2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9923 2.5677 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 1.2557 1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 0.0122 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6278 3.3298 -1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3207 3.2310 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5248 0.6840 -1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5227 -0.7432 -1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5961 -2.3949 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0676 1.1395 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9915 -3.3706 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4614 0.1457 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0818 0.8670 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9278 -2.1081 2.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5769 0.4594 -2.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8318 -1.3233 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7903 -1.3274 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 -1.8674 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9996 2.5753 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9956 -3.7465 -1.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5188 -0.6525 3.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9688 -4.2661 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7286 3.2316 1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0705 -5.2274 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4942 1.6262 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 17 1 0 0 0 0 2 52 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 5 18 2 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 16 20 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 48 1 0 0 0 0 20 24 1 0 0 0 0 20 49 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 27 31 2 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 56 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > 56593116 > 1.2 > 2 114 1 81 76 33 47 112 26 63 121 15 111 6 50 39 22 3 68 23 113 57 86 55 74 77 13 62 19 104 36 37 40 78 95 30 107 103 59 42 67 122 4 61 31 123 56 79 29 110 5 7 109 106 51 98 87 93 24 38 90 92 17 21 102 12 10 105 119 11 101 96 48 88 80 66 25 44 28 16 85 83 118 9 84 45 89 108 120 91 18 72 71 65 54 60 73 58 70 64 14 8 32 46 27 94 41 75 97 49 52 117 116 115 82 100 34 43 35 53 20 99 69 > 48 1 -0.57 10 0.3 11 0.3 12 0.14 13 -0.14 14 0.64 15 -0.15 16 -0.15 17 0.75 18 0.11 19 -0.15 2 -0.68 20 -0.15 21 -0.14 22 -0.14 23 0.14 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.66 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 4 0.83 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.71 50 0.15 51 0.15 52 0.4 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.71 60 0.15 61 0.15 62 0.15 > 8.2 > 10 1 1 acceptor 1 2 acceptor 1 2 donor 1 5 acceptor 1 6 acceptor 5 4 5 6 18 23 rings 6 13 15 16 19 20 24 rings 6 21 25 27 29 31 33 rings 6 22 26 28 30 32 34 rings 6 3 7 8 9 10 11 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 035F8ADC00000002 > 111.6489 > 50.811 > 10 15 15338834257885065736 10305334 12 18411982455774872575 10319926 262 17703792547756125897 10577160 183 18335692816106475733 10622 236 18122895692786999878 10939801 23 18126277783097571446 11135926 11 18337103476023488222 11331351 85 18259984855907233244 11387372 6 17023199266059348987 11443803 9 16916788428250496693 12082328 90 16225765199160227836 12107183 9 18411707577556191789 12144603 126 18335995224812433212 12616971 3 18260272979096918812 13560911 23 17632292419177801873 13782708 43 17385434415628185836 14150023 24 18269282275334696521 14394314 77 18413106156784449632 14400156 162 17458642077312298769 15021287 119 18040723588638182237 15183329 4 18186515536483989294 15250474 111 18339924925675637894 15289351 153 9943804483716678046 15297060 5 18060700567721111946 15320294 125 18410860945107497359 15326921 28 17912652306642075753 15392192 29 18186812383312124266 15399244 38 17895191066267312770 15684393 108 16733281096672572614 1577012 14 18410862092328073340 16993089 31 16660933265724222755 18603816 31 18335703870888592475 19246450 95 18267027155089973897 19303781 99 17313095351019459398 2026 5 16154266106175301896 21033648 29 15626236718660290093 21315763 191 18341897419460163884 23522609 53 18118994539701051844 23569943 247 17967809414580093178 24771293 8 18336823204523726824 312425 54 18273213114707203672 3504750 166 18265607694262933748 397830 11 17702936063370132480 4169191 19 12247678292609937930 444769 64 18260830388779573627 4756088 132 16757743331626070286 5080951 261 17704059695381619493 508180 173 11530483307937610206 5104073 3 17916871351389019000 513202 73 17821726113496337716 531348 171 18187358831621146301 6009941 240 17561084700214543906 6058803 2 18050298256220466693 6636735 143 16773782724046876726 6691757 9 17988925561846882963 6712543 237 18201718419204980494 68570916 9 18341613784732594880 7226269 152 17417823807621532809 96874 4 18335408102661887006 9953998 17 17988639688538733936 999808 66 17458349619407262281 > 668.04 24.74 3.7 2.08 40.05 3.76 -0.63 7.51 -14.83 -4.73 1.32 -1.06 -0.43 -6.07 > 1455.964 > 359 > 2 5 10 $$$$