HMDB0061566 RDKit 3D PS(DiMe(11,5)/MonoMe(11,3)) 141142 0 0 0 0 0 0 0 0999 V2000 17.3465 5.8729 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0558 5.1665 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3205 3.6863 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0320 2.9842 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9975 3.0942 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7187 2.4034 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6266 2.9737 -0.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 2.0805 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 2.5042 -0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3214 2.4502 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9565 2.8933 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2979 2.1423 -1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 0.6981 -1.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 0.4407 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 -0.9608 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0052 -1.6830 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7577 -1.0402 -1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6408 -0.8721 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 -2.1154 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 -2.3785 1.4481 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 -2.9801 -0.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 -4.1925 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 -3.9578 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 -5.3211 1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 -6.0802 1.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 -7.6317 2.0319 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3638 -8.3808 2.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8128 -7.4304 3.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -8.4130 0.6191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7945 -8.7657 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 -9.4632 -1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 -9.8784 -2.2002 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -10.5929 -1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8447 -11.7413 -1.4462 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2632 -10.4494 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2951 -3.1137 0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -1.9499 0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -1.6658 1.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 -1.0085 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 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1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 33 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 53 54 1 0 51 55 2 0 55 56 1 0 56 57 1 0 8 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 6 2 0 56 49 2 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 22 93 1 0 22 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 28 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 32103 1 0 35104 1 0 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