24818067 -OEChem-04232417423D 48 51 0 0 0 0 0 0 0999 V2000 1.6420 -2.4402 1.2798 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 1.0052 0.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 -2.8091 1.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1259 2.6633 1.8011 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5944 3.0609 0.5443 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 0.6028 0.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 -1.2593 -0.3897 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 -0.8144 -0.7608 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -2.6658 1.1831 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 0.0064 -2.0996 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8143 1.7766 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3187 0.4079 -1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6527 2.6418 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4828 -0.2759 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 1.9165 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 0.2618 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 -1.1073 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2231 -1.3536 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0323 -2.1280 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.8669 -1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -1.3791 -0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 -2.3438 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -1.0660 -1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2982 -0.0500 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8283 0.8130 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5907 0.2074 -1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 1.8439 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3563 1.2277 -0.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8977 2.1242 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3364 2.2815 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5394 1.6467 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7106 0.5344 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1716 -0.2253 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0345 3.5859 0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 2.8895 -1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1023 -0.5004 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -1.2271 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 2.5313 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.7522 1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -1.1730 -1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 -1.8672 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8934 -1.7411 -1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1095 0.3504 -2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 0.3018 -2.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8689 0.6413 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9374 -0.4390 -2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3212 1.4277 -1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 3.3355 1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 16 2 0 0 0 0 3 22 2 0 0 0 0 4 27 1 0 0 0 0 4 48 1 0 0 0 0 5 29 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 18 2 0 0 0 0 9 19 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 M END > 24818067 > 0.8 > 1 10 19 85 30 87 89 15 27 80 97 23 45 56 24 92 40 8 64 62 39 95 58 32 77 60 37 47 73 7 31 14 42 38 76 49 79 9 90 51 29 72 22 81 16 59 88 52 68 54 48 26 20 34 75 93 71 12 18 13 94 70 4 66 96 61 50 78 35 67 55 6 74 53 43 65 69 3 91 44 21 2 82 84 25 36 5 57 33 46 86 17 63 83 41 11 28 > 32 1 -0.28 10 -0.9 14 0.3 15 0.3 16 0.57 17 0.12 18 0.53 19 0.64 2 -0.57 20 0.2 21 0.01 22 0.77 23 -0.15 25 -0.15 26 -0.15 27 0.09 28 -0.14 29 0.54 3 -0.57 4 -0.53 42 0.15 43 0.4 44 0.4 45 0.15 46 0.15 47 0.15 48 0.45 5 -0.57 6 -0.66 7 -0.11 8 -0.49 9 -0.66 > 5.2 > 12 1 10 cation 1 10 donor 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 acceptor 1 8 acceptor 1 9 donor 5 1 7 8 18 19 rings 6 24 25 26 27 28 29 rings 6 6 11 12 13 14 15 rings 6 7 9 19 20 21 22 rings > 29 > 0 > 0 > 1 > 0 > 0 > 1 > 9 > 017AB19300000001 > 75 > 60.996 > 10 15 17530400637892548623 10454371 7 18343582975360158181 10670039 82 17704069560393957921 10693767 8 10087053251591359709 10883706 163 18113893857878002381 12390115 104 18260551160192656234 12895837 130 18342738559056741357 13690498 29 17202188823790027855 13782708 43 9223235139721447678 14150022 121 18188784967286131507 14347329 18 18342171181213681760 14394314 77 18339083688339921481 14556957 393 14907910417625667000 14739800 52 18128232571909052995 14931854 50 18059848442273106097 15183329 4 17560804325356018036 15778101 99 18335421291936396398 17899979 19 18259980458256270069 19303781 99 10951756469815346473 21033648 144 18188199927999447383 21033648 29 18268699692927347216 21424621 283 18408605842221426370 21585482 111 18262515862664804941 23536364 44 13110964184996372155 2748736 6 18408595972660964848 2838139 119 18131346414566487008 38570 142 18411703162408711898 397830 11 11458429080969438414 4058900 60 18202007603384431790 4073 2 18261113006534778306 4144715 1 18116725217105788730 445580 204 18343580728844361968 445580 37 18272932747452201749 44802255 64 17346599724589835894 484985 159 13912609428784759091 508180 173 17346596382978763512 5104073 3 17821721745799811138 5385378 56 18040990710182414434 54583773 228 18341322316285053693 5718773 13 9943806686090811052 5758199 1 18259983764604795983 59682541 52 17275389790172675006 6328613 192 18410857676890936516 636775 72 18339636854252055184 7970288 3 9583219653165616137 > 552.27 20.72 3.34 1.37 21.21 0.22 -0.11 20.58 -2.55 -2.14 1.54 -0.87 0.05 -1.06 > 1183.707 > 306.6 > 2 5 10 $$$$