HMDB0061512 RDKit 3D PE(DiMe(9,5)/MonoMe(11,3)) 132133 0 0 0 0 0 0 0 0999 V2000 -9.0820 -1.0208 5.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3431 -2.0767 6.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4305 -2.1519 7.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9991 -2.4800 7.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2534 -1.5242 6.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8053 -1.9668 6.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 -1.4562 7.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -2.1068 6.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2924 -1.8471 7.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4671 -0.9352 6.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 -1.4410 5.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4164 -0.6528 4.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 0.7692 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7811 1.3878 2.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 1.4064 2.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 1.9831 1.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4379 1.9612 1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9257 2.2151 2.9693 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 1.6582 0.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5801 1.6085 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 1.0429 -0.5967 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6067 1.9591 -1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1996 2.1112 -1.6488 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 3.1657 -2.9109 P 0 0 0 0 0 5 0 0 0 0 0 0 4.7720 2.3222 -4.1856 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 4.3945 -3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 3.8220 -2.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3569 5.1004 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9934 5.6937 -1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 5.8208 -3.2072 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -0.2367 -0.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1079 -1.4355 -0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3859 -1.4252 -0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -2.7426 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 -2.7826 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1927 -2.1134 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -2.1574 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -1.7423 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2905 -0.3828 -1.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5165 0.0888 -3.1866 C 0 0 0 0 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0 8 53 2 0 53 54 1 0 53 55 1 0 55 56 1 0 55 6 2 0 51 44 2 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 20 84 1 0 20 85 1 0 21 86 1 1 22 87 1 0 22 88 1 0 26 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 49122 1 0 50123 1 0 52124 1 0 52125 1 0 52126 1 0 54127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 M END