HMDB0245791 RDKit 3D 3-Anilinoalanine 25 25 0 0 0 0 0 0 0 0999 V2000 3.3508 -1.3757 0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -0.3072 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0075 -0.6867 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 0.3800 -0.5309 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 0.2562 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 -0.9037 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1605 -1.0302 0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0386 -0.0319 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5508 1.1354 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1706 1.2447 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 0.9004 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2095 1.9758 0.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 0.8284 1.3478 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 -1.1705 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 -1.4505 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5615 -0.1045 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7096 -1.6120 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -0.8263 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4439 1.2730 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 -1.6704 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5634 -1.9223 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1167 -0.1571 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2346 1.9178 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 2.1475 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7533 1.1900 2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 2 11 1 0 11 12 2 0 11 13 1 0 10 5 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 13 25 1 0 M END