8146 -OEChem-03282417253D 23 22 0 0 0 0 0 0 0999 V2000 -1.1883 -0.3837 -0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 0.3044 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 0.3163 0.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 0.4141 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 -0.4942 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 0.4188 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 -0.4967 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5801 -0.4856 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 0.4066 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 1.0589 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 1.0636 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 -1.1536 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 -1.1286 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 1.0548 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3811 1.0770 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 -1.1076 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 -1.1585 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5806 -1.1627 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6004 -1.1045 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 -0.1790 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 1.0336 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 1.0835 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 0.8308 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END > 8146 > 0.6 > 5 80 73 109 112 32 4 81 119 107 49 117 86 85 27 1 47 125 87 13 97 50 65 18 101 122 71 116 115 11 104 61 111 23 121 94 51 41 7 99 45 56 25 40 103 57 118 15 37 39 20 106 78 31 110 67 114 29 14 16 52 24 35 77 44 113 108 10 59 46 102 96 69 55 82 30 33 83 124 60 100 79 68 105 48 9 2 126 98 28 72 8 36 93 12 120 43 91 58 38 84 62 26 123 6 3 88 75 54 34 19 90 70 92 21 42 66 17 22 64 74 76 89 63 53 95 > 9 1 -0.56 2 -0.56 23 0.4 3 -0.68 4 0.28 5 0.28 6 0.28 7 0.28 8 0.28 > 6 > 4 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001FD200000005 > 11.3828 > 20.297 > 11062470 55 18410012134714958338 14123238 8 18410855473034162756 17834076 25 18410575088958046213 18342897 14 18202283601939619089 20645477 70 18130792192530294430 20719005 15 18410573989478099426 22485316 2 18409164411260758915 23402539 116 12612750246519038171 42788 4 18410856559639815556 > 167.61 9.95 0.77 0.58 0.02 0.02 0 -0.6 0.06 -0.07 0 -0.04 0 -0.01 > 294.132 > 110.9 > 2 5 10 $$$$