HMDB0259435 RDKit 3D (S)-Methylenedioxyethylamphetamine 32 33 0 0 0 0 0 0 0 0999 V2000 3.8144 1.1048 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 0.1060 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 0.2922 -0.8528 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 -0.0491 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -1.5009 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 0.4157 -1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 0.1291 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -1.0713 -1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -1.4087 -0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5244 -0.5283 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9369 0.6481 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6363 0.9920 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 1.3466 1.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1234 0.7331 1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8095 -0.5897 0.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7184 1.7525 1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9475 1.7984 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6905 0.5821 2.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 0.3324 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -0.9388 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 -0.3995 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 0.5203 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9507 -2.1210 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4162 -1.8460 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0534 -1.6164 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 -0.0753 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5975 1.5112 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 -1.7555 -1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 -2.3235 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 1.9126 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7255 0.7222 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6436 1.3249 0.2307 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 12 7 1 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 9 29 1 0 12 30 1 0 14 31 1 0 14 32 1 0 M END