HMDB0252084 RDKit 3D Ethylphenidate 39 40 0 0 0 0 0 0 0 0999 V2000 3.2825 -2.4106 1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 -0.9463 1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0268 -0.3274 1.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -0.3030 -0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 -0.8566 -1.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 0.3410 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 1.7699 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1899 2.7232 -1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 4.0777 -0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 4.4884 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 3.5580 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 2.1982 1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 -0.4214 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 -1.8301 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -2.6313 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0804 -1.8636 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 -0.6312 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 0.1790 -0.6181 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4254 -2.9645 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 -2.8211 1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -2.6211 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0976 -0.4650 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.8720 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2801 0.2337 -1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1366 2.4392 -2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 4.8347 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 5.5529 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3628 3.8894 2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 1.4788 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -0.5188 1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -2.3063 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 -1.8474 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -3.6145 -0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -2.8951 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9382 -2.5309 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2129 -1.5772 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0071 0.0107 -0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -0.8813 -1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8265 0.3619 -1.6451 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 2 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 6 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 12 7 1 0 18 13 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 6 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 M END