HMDB0028954 RDKit 3D Lysylisoleucine 43 42 0 0 0 0 0 0 0 0999 V2000 -3.7690 -1.0220 1.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2298 0.3589 2.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0022 1.1435 0.7399 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3495 1.2409 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0438 0.4751 -0.1871 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7336 0.2787 0.4054 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -0.9952 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7604 -1.9757 0.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 -1.2042 1.0992 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6342 -2.5708 1.0943 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 -0.3551 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 -0.5854 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5732 0.2491 -1.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 0.0116 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9402 0.8460 -1.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 1.3138 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 1.7281 -1.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 1.6221 -2.1667 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9185 -1.7330 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4014 -1.0852 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3858 -1.2988 2.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3212 0.2728 2.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 0.9183 2.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7046 2.1710 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4903 2.2319 -0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4001 0.4316 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1775 1.0959 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4376 -0.4905 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2013 1.0936 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -0.9081 2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 -3.0661 1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -3.1096 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 0.7101 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 -0.6340 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5467 -0.3441 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -1.6601 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 1.3309 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6263 0.1045 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2114 -1.0505 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9473 0.1695 0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2235 1.5862 -0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4895 1.3644 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2412 1.3402 -3.1029 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 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 5 16 1 0 16 17 2 0 16 18 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 1 4 25 1 0 4 26 1 0 4 27 1 0 5 28 1 6 6 29 1 0 9 30 1 1 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 18 43 1 0 M END