HMDB0061533 RDKit 3D PE(MonoMe(11,5)/MonoMe(9,5)) 135136 0 0 0 0 0 0 0 0999 V2000 -14.8463 1.7277 -2.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7337 2.7436 -3.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9929 2.7335 -1.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9559 3.0765 -0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1863 3.0749 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5980 1.7525 0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1397 0.6832 1.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2113 -0.3457 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4212 -1.6783 2.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1478 0.1481 0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8899 -0.6080 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0989 -0.5731 1.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7796 -1.2955 1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0086 -1.2184 3.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7604 0.1981 3.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9659 0.9573 2.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 0.3907 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7991 1.1477 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3709 1.0745 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4081 -0.3441 -0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 -0.8995 -0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 -1.0985 -1.9983 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2627 -1.1871 0.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0124 -1.6630 0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1523 -0.8326 0.0208 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3126 -0.8014 -1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 -2.0959 -1.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 -2.2673 -3.5981 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7582 -0.9376 -4.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 -2.9558 -4.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7129 -3.3880 -3.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 -4.2802 -2.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 -5.2551 -3.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 -6.2101 -2.1244 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3856 -1.5276 0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3056 -0.8213 1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 0.3795 1.4802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5967 -1.3420 1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -1.0466 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 -1.4809 0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9095 -1.1726 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9178 0.2795 -0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8622 0.6104 -1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 0.2416 -1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7696 0.9981 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 0.5832 0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2482 1.2654 -0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3494 0.6896 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7693 1.1020 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8959 2.4258 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1975 3.5553 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7703 3.7161 1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0320 4.8879 2.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9529 -0.5179 0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5895 -0.5846 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7351 -1.6874 1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4261 1.3811 0.5417 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6645 1.9974 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2862 1.6557 -4.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4338 0.7135 -2.7754 H 0 0 0 0 0 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35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 48 54 2 0 54 55 1 0 55 56 1 0 10 57 1 0 57 6 1 0 55 46 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 7 69 1 0 9 70 1 0 9 71 1 0 9 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 24 93 1 0 24 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 56133 1 0 56134 1 0 56135 1 0 M END