HMDB0015647 RDKit 3D Dexmethylphenidate 36 37 0 0 0 0 0 0 0 0999 V2000 -3.0420 2.6839 1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 1.8630 0.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 1.4460 0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 1.8159 1.6212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4946 0.5902 -0.4199 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2476 -0.6776 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 -1.5751 0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0427 -2.7412 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6817 -3.0843 -0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5826 -2.1786 -1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8876 -1.0189 -1.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 0.3065 -0.2710 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8225 1.5305 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 1.1431 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4564 -0.3518 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 -0.8040 0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -0.4777 0.8744 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9631 2.1207 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3619 3.6515 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4348 2.7906 2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5934 1.1434 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8425 -1.3208 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 -3.4315 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2261 -4.0140 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0796 -2.4215 -2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8259 -0.3185 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2577 -0.3074 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 2.2186 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7307 2.0259 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 1.4849 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 1.6336 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -0.9041 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5366 -0.5754 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 -1.9146 0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -0.3753 1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1057 0.0439 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 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 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 11 6 1 0 17 12 1 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 6 7 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 6 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 15 32 1 0 15 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 M END