HMDB0248332 RDKit 3D Aminorex 22 23 0 0 0 0 0 0 0 0999 V2000 3.7783 1.0809 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 0.2299 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 -1.0010 0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 -1.5736 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.5010 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -0.1177 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9003 -0.4046 -0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1118 -0.0539 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1611 0.6148 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9885 0.9212 1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 0.5570 0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4969 0.6165 -0.7943 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 1.4318 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9986 1.3603 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -2.4369 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7565 -1.8579 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5298 -0.7749 -1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 -0.9331 -1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0566 -0.2818 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1409 0.8908 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0597 1.4455 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 0.7874 1.3618 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 5 12 1 0 12 2 1 0 11 6 1 0 1 13 1 0 1 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 7 18 1 0 8 19 1 0 9 20 1 0 10 21 1 0 11 22 1 0 M END