HMDB0001250 RDKit 3D N-Acetylarylamine 19 19 0 0 0 0 0 0 0 0999 V2000 3.5146 0.2251 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 0.1414 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 0.1644 1.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0264 0.0390 -0.5423 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 -0.0509 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -0.1469 -1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 -0.2377 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0943 -0.2380 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -0.1464 1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 -0.0539 1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 0.8250 -1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1991 0.7361 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -0.7839 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1812 0.0241 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -0.1486 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4335 -0.3114 -1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1309 -0.3081 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 -0.1423 2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 0.0175 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 10 5 1 0 1 11 1 0 1 12 1 0 1 13 1 0 4 14 1 0 6 15 1 0 7 16 1 0 8 17 1 0 9 18 1 0 10 19 1 0 M END