HMDB0304810 RDKit 3D Pro-Ile 36 36 0 0 0 0 0 0 0 0999 V2000 4.3091 1.5392 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8966 1.4031 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 0.1951 0.7519 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9208 -1.0849 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 0.2004 0.2752 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0663 -0.9315 0.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0973 -1.3396 0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -2.5828 1.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 -0.8551 0.0713 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2717 0.4215 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 0.8238 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2095 0.3368 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 -0.7378 1.0954 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7525 0.2521 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 1.2664 -1.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -0.9010 -1.9327 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2237 2.0538 1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8334 0.5805 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 2.2185 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9939 1.2890 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 2.3590 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 0.2634 1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4629 -1.0151 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -1.9179 0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 -1.3451 1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 1.1884 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2019 -3.4536 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 -1.6783 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 1.2666 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 0.2376 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8445 1.9229 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2993 0.3691 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2525 -0.0755 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 1.1022 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8157 -1.6260 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 -1.7452 -1.6633 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 3 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 14 1 0 14 15 2 0 14 16 1 0 13 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 1 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 1 8 27 1 0 9 28 1 6 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 16 36 1 0 M END