56793684 -OEChem-03182423483D 33 33 0 1 0 0 0 0 0999 V2000 -5.9649 0.3137 0.2058 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -1.1224 -0.5592 N 0 0 1 0 0 0 0 0 0 0 0 0 5.6332 1.7002 0.9874 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6517 -0.6911 -0.9090 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0523 0.1168 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -0.0141 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7228 0.1159 -2.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4568 0.1662 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 -2.2551 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 -0.2693 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1155 1.1905 -0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1923 -0.8121 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 1.2365 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5864 -0.7660 0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2449 0.2583 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0259 0.8319 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -1.5729 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4223 1.1513 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 -0.2925 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 0.9329 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5044 0.1575 1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1798 1.1022 -2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 0.2777 -2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 -0.4250 -2.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -2.6895 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 -2.0104 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3474 -3.0650 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -1.1969 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5432 -0.3788 -1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 1.9600 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 -1.6171 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0092 2.0405 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1465 -1.5357 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 16 3 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 M END > 56793684 > 0.6 > 1 124 67 133 107 110 29 137 55 142 132 81 91 128 42 117 83 80 138 60 106 34 71 56 92 141 17 46 64 115 76 49 24 123 3 116 100 134 41 121 135 93 31 9 50 130 111 36 52 118 94 136 57 35 75 13 18 10 69 88 103 28 61 25 6 74 62 99 122 105 108 95 65 40 96 112 7 120 43 114 4 45 44 90 98 30 11 102 19 79 104 33 129 127 54 84 139 32 51 70 47 126 113 77 72 37 109 87 5 8 22 58 82 48 78 59 131 23 53 27 97 39 101 85 38 125 12 63 119 86 21 140 2 66 16 20 15 89 14 26 73 68 > 19 1 -0.18 10 0.2 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 0.18 16 0.36 2 -0.81 3 -0.56 30 0.15 31 0.15 32 0.15 33 0.15 4 0.27 5 0.14 6 0.27 8 -0.14 9 0.27 > 5 > 3 1 2 cation 1 3 acceptor 6 8 11 12 13 14 15 rings > 16 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 03629A5400000001 > 34.2891 > 15.223 > 11045977 3 18409169948021976682 11128504 68 15339115767063240008 11401426 45 17894351073246549999 117890 112 18410857629472093081 12236239 1 15769779044029704537 12507560 40 18335420110614415054 12815109 37 18334296461713365091 13533116 47 18041839498250673714 14251732 16 18271806856662892187 15048467 5 17632300056125539529 15375358 24 18114186323775496027 17834072 8 9871752394824588032 17980427 23 17895759624334023151 1813 80 13623526802035325522 19784866 140 9799419914062824414 200 152 18060417998091248697 20279233 1 18334868194780208155 204376 136 17918274264112586758 20645477 70 18200033915250291870 21618674 25 18407759222647551834 21618674 57 12901549031374610797 22079108 93 18341608256977302914 22854114 59 18409449193868397392 22959321 60 18335137605325393224 23227448 37 18129094709743177340 23402539 116 17822007631939555391 23557571 272 18189628163101054013 23559900 14 18115316553299705334 2916195 48 18336262362782030393 296302 2 18130790027734388191 300161 21 18408318870261414315 3545911 37 18261397719420457506 4072396 5 16298382452974695010 4325135 7 17845930827416602711 449060 50 18410291398047307750 4990 188 11527946746953503478 5104073 3 18115592517912178777 542803 24 16917069940995358419 67856867 119 17241904270126737661 9971528 1 17603874346961961118 > 321.18 11.88 1.5 1.2 1.87 0.41 0.55 -3.95 -4.04 0.91 -0.18 0.61 -0.15 1.12 > 636.26 > 190.9 > 2 5 10 $$$$