HMDB0028962 RDKit 3D Lysyltryptophan 48 49 0 0 0 0 0 0 0 0999 V2000 3.3270 1.3312 1.6418 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7594 1.2470 1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2703 -0.1026 1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 -0.5243 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4778 -0.6364 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7516 -1.6413 0.5059 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3242 -2.9615 0.3169 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3452 -1.6458 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 -2.7091 -0.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -0.4933 0.1147 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 -0.5333 -0.3535 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6871 -0.4117 0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1312 -0.3958 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0097 -1.4761 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -1.0336 0.3434 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 0.2986 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2387 1.1569 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9106 2.4937 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6215 2.9484 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 2.0772 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 0.7201 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0891 0.3623 -1.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2026 1.1674 -1.8739 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 0.3699 -2.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9391 1.4160 2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 2.1917 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2372 2.0254 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 1.4279 2.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9046 -0.8383 2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 -0.0717 1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 -1.5044 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 0.2323 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9025 0.2928 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -1.0764 -1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 -1.4000 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 -3.3075 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.5892 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 0.3881 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 -1.5989 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 -1.3010 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.4619 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6596 -2.4758 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0764 -1.6457 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2575 0.8220 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6803 3.1859 -0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 3.9974 -0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 2.3824 0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 0.3770 -3.1437 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 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 11 22 1 0 22 23 2 0 22 24 1 0 21 13 1 0 21 16 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 1 7 36 1 0 7 37 1 0 10 38 1 0 11 39 1 6 12 40 1 0 12 41 1 0 14 42 1 0 15 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 24 48 1 0 M END