HMDB0253881 RDKit 3D L-DOPA n-Butyl Ester 37 37 0 0 0 0 0 0 0 0999 V2000 4.9542 0.0105 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9559 0.4142 0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 -0.7561 1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 -0.3827 2.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 0.6052 1.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 0.5772 0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 -0.4708 0.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7003 1.6746 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3757 2.7320 1.4657 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1272 1.2632 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5096 0.1354 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 -1.1585 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 -2.2382 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 -1.9794 -1.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 -3.0375 -2.5777 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3885 -0.6958 -2.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -0.5107 -3.4957 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 0.3348 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.0350 -0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8877 0.6578 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 -0.0186 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3673 1.2548 0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 0.7742 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -1.4945 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 -1.2988 0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -0.0848 2.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -1.3051 2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 2.0369 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 3.2684 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 3.2824 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 2.1165 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 1.0531 1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -1.3881 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 -3.2620 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -2.8802 -3.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0093 0.4625 -3.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 1.3428 -1.7690 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 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 18 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 17 36 1 0 18 37 1 0 M END