92092 -OEChem-03192406263D 24 23 0 1 0 0 0 0 0999 V2000 -0.3204 1.9899 -1.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7032 0.5448 -0.9755 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 1.9353 1.2148 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -1.8881 0.3708 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 0.3571 -0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 -2.3054 -0.6123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6227 1.1720 0.1136 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5434 0.0201 -0.3301 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6659 0.7559 0.8394 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0061 -0.8273 0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.1268 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 -1.6276 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 1.8313 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.5996 -1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 0.2375 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 -1.2711 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 -0.2321 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 2.2479 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -1.8936 1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -1.9571 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 1.1245 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5265 2.4550 0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 -2.4018 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1858 -2.1228 -1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 9 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END > 92092 > 0.6 > 4 20 62 59 32 94 113 86 103 27 2 50 45 115 55 114 56 98 17 83 89 68 6 92 105 112 111 106 46 82 19 25 65 74 48 100 57 70 117 30 28 42 107 78 95 80 3 109 91 5 75 116 110 60 118 39 99 61 72 13 102 40 1 104 38 21 12 33 108 93 23 37 11 49 90 41 36 79 85 47 64 14 51 10 35 58 8 73 7 63 26 53 52 101 22 77 15 97 88 24 18 76 29 31 43 81 9 87 44 71 34 69 96 16 67 54 84 66 > 17 1 -0.68 10 0.28 11 0.45 12 0.34 18 0.4 2 -0.68 21 0.4 22 0.4 23 0.4 24 0.4 3 -0.68 4 -0.68 5 -0.57 6 -0.68 7 0.28 8 0.28 9 0.34 > 5 > 11 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 6 acceptor 1 6 donor > 12 > 3 > 0 > 0 > 0 > 0 > 1 > 6 > 000167BC00000004 > 15.6268 > 55.865 > 12897270 3 18260835886316724036 16945 1 18273213131454530056 20201158 50 18338790118011767698 20711978 78 18200870772574102787 21061003 4 18060413612771579304 23552423 10 18113904814312387818 2748010 2 18334851732038726139 > 211.74 3.77 2.26 1.03 0.9 0.42 0.06 1.9 -0.52 -0.56 0.01 0.05 -0.31 0.81 > 402.032 > 129.6 > 2 5 10 $$$$