HMDB0060757 RDKit 3D 4-Aminobenzoyl-(beta)-alanine 27 27 0 0 0 0 0 0 0 0999 V2000 -5.2289 -0.0560 -0.4153 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 -0.1650 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0446 -0.6357 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -0.7387 -1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 -0.3556 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 -0.4607 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -1.1980 -0.9546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.2250 0.9076 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5661 0.1745 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1907 0.7183 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6639 0.6621 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2249 1.5713 0.6483 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 -0.4187 -0.5719 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 0.1128 0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1638 0.2154 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 -0.8730 -0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 0.8878 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6007 -0.9276 -2.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1132 -1.1131 -2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 0.8162 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -0.8578 1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 0.8148 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 1.7694 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8473 0.1403 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3838 -1.3211 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 0.4213 1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7069 0.5918 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 5 14 1 0 14 15 2 0 15 2 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 M END