HMDB0256535 RDKit 3D Picotamide 48 50 0 0 0 0 0 0 0 0999 V2000 3.1036 -3.8115 1.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 -2.7881 0.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -2.4318 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2941 -3.1238 1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 -2.7720 1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3928 -1.7405 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 -1.4166 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6051 -1.8164 0.9567 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 -0.6658 -1.0224 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6435 -0.2911 -1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9574 0.8499 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5478 0.7353 0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7743 1.8999 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4322 3.1449 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8572 3.2354 -0.1083 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 2.1166 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -1.0673 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -1.4027 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9303 -0.6169 -1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4771 0.3327 -1.7917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3097 -0.7839 -1.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 0.0789 -1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3111 1.3439 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 2.4652 -1.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 3.6612 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 3.7101 0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 2.6004 0.7092 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0763 1.4457 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 -3.5929 1.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -3.8692 2.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 -4.8082 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6327 -3.9323 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 -3.3438 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 -0.3536 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8473 -0.0487 -2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2851 -1.1915 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8099 -0.2298 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2341 1.8539 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6114 4.0519 1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 2.2114 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 -0.2390 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -1.5071 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -0.3787 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 0.2382 -2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 2.5010 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.5563 -1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 4.6331 0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6252 0.5572 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 6 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 18 3 1 0 28 23 1 0 16 11 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 5 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 21 42 1 0 22 43 1 0 22 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 28 48 1 0 M END