1153880 -OEChem-04192418293D 63 67 0 0 0 0 0 0 0999 V2000 8.6734 -0.6160 -2.6463 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 0.7022 -0.5999 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -0.9193 2.2304 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7206 -2.8066 -0.9515 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1671 -4.5382 -1.5806 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5054 1.7657 0.0826 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.1403 2.0555 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 1.2071 1.3062 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1079 0.7605 0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 1.5323 2.3193 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5482 1.2896 1.8564 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1341 1.8706 -1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 3.1585 -1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 1.7754 -1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 4.4065 -1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2766 3.0256 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8503 4.2928 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 1.1863 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 1.2686 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -1.0495 2.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 0.0719 1.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 -2.0014 1.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0589 1.3329 1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2977 -1.8757 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 -3.0118 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 -2.7736 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6939 -3.7625 -0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 -3.9081 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4511 -3.9267 -1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 0.8302 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4879 0.4580 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2603 -0.0063 -1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 0.5597 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3363 -0.3690 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8677 0.1971 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 -0.2672 -1.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7839 1.0195 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6192 3.2580 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0237 3.1011 -2.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9406 0.8955 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0855 1.6354 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9129 4.5647 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0669 5.2869 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3693 2.9414 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9905 3.0994 0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2547 5.1717 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2791 4.2895 -2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 2.2024 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 2.2070 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6994 1.3050 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0696 -1.5618 3.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 -0.7474 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 1.5810 0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8726 2.1688 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0137 -1.1095 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -3.1182 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7801 -4.6902 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2322 -4.6812 -1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 -3.5817 -2.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2581 -0.0987 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0008 0.9179 1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -0.7308 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 0.2760 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 18 2 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 27 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 48 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 30 2 0 0 0 0 10 11 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 33 35 2 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 M END > 1153880 > 1.4 > 1 66 19 58 14 98 7 100 40 132 116 109 126 90 50 37 123 26 117 54 74 141 2 129 88 130 139 35 119 101 135 151 149 71 137 85 68 77 142 120 53 8 82 11 112 46 49 127 87 55 104 83 36 84 147 48 21 146 62 95 105 24 63 121 61 80 94 115 72 38 131 56 29 81 114 67 34 27 10 32 107 73 106 3 136 76 110 150 44 103 86 41 102 78 6 45 140 47 113 138 75 43 134 60 69 148 9 93 31 124 16 99 144 91 118 25 92 28 65 33 111 30 42 22 133 96 5 17 13 145 70 97 52 51 108 143 39 18 64 12 20 125 59 4 79 57 122 128 23 89 15 > 39 1 -0.19 10 -0.42 11 -0.23 12 0.3 18 0.57 19 0.36 2 -0.57 20 0.44 21 0.57 22 -0.14 23 0.32 24 -0.15 25 -0.15 26 0.08 27 0.08 28 -0.15 29 0.56 3 -0.57 30 0.46 31 0.05 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 0.19 4 -0.36 48 0.37 5 -0.36 55 0.15 56 0.15 57 0.15 6 -0.73 60 0.15 61 0.15 62 0.15 63 0.15 7 -0.66 8 0.58 9 -0.71 > 11.8 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 donor 3 9 11 30 cation 5 4 5 26 27 29 rings 5 8 9 10 11 30 rings 6 12 13 14 15 16 17 rings 6 22 24 25 26 27 28 rings 6 31 32 33 34 35 36 rings > 36 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00119B5800000001 > 69.028 > 55.979 > 10190206 1 18335404786941236583 10369192 42 18115027395017165117 10952577 141 18041569026711533660 11200772 48 18409731737875506221 11211813 163 18336257951480994838 11410812 94 18335417994229623380 11991303 11 18408322164348278277 12717326 150 15984559814247177630 12788726 201 18045471318823222571 12977781 61 17773863376196946976 1361 87 17989491827203930976 13690498 29 18337398252318086218 13757389 114 18334854987988440685 14004919 189 14189567572356608437 14294032 229 18260271824484160345 14930077 153 18041852829676069117 15131766 46 15647051585854264420 15198563 99 18264473144581744285 15444296 9 18130233756803811655 15629462 23 16988846077637658001 15664458 18 18334564777749675095 15803439 3 18269263574450978143 17627616 140 18339654356539575346 18603816 31 16056881355727354759 21033650 10 18260824933875903979 21223535 225 17458635544935910724 21307412 95 18130516253876892292 21772528 278 16298678208707440536 22393880 68 18342173397543582170 244849 19 17130122411925076841 24771750 20 17978220566336041349 25025965 108 16054634877874009374 3610482 184 17821726117923030200 44880568 143 18409168853207015644 484985 159 17632309994263377747 508706 21 18338520854059960154 563151 40 18408600345433472955 6608658 132 17749378257110811453 6697151 62 17131826544038719336 > 680.23 19.66 5.69 2.61 42.55 2.79 -0.32 -10.58 15.57 -16.6 3.2 2.11 0.29 1.89 > 1470.556 > 372.3 > 2 5 10 $$$$