HMDB0028956 RDKit 3D Lysyllysine 45 44 0 0 0 0 0 0 0 0999 V2000 -5.7823 0.9059 -1.4274 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4141 -0.4290 -1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9105 -0.5104 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 0.3321 0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 -0.0446 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 0.9153 0.1335 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8858 2.2476 -0.1474 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 0.6381 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 1.5220 -1.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 -0.5956 -0.5496 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -0.8656 -1.2999 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8974 -1.1918 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 -0.0688 0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 -0.4578 1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7964 0.6393 2.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1549 1.8573 1.6392 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -2.0195 -2.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 -2.6269 -2.3124 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 -2.4332 -3.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1347 1.2900 -2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7699 1.0089 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7148 -0.8350 -1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3386 -1.0517 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7255 -0.1108 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7601 -1.5601 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 0.1492 1.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9429 1.4065 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -1.0549 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7179 -0.0103 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1963 0.8175 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 2.9644 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7102 2.4668 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -1.3388 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9593 0.0223 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6551 -2.0836 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 -1.4501 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 0.1217 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 0.8535 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2849 -0.7337 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1386 -1.3469 1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 0.8750 3.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 0.3195 2.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9039 2.3394 2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5343 1.6453 0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 -2.5185 -2.7386 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 1 0 14 15 1 0 15 16 1 0 11 17 1 0 17 18 2 0 17 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 5 28 1 0 5 29 1 0 6 30 1 1 7 31 1 0 7 32 1 0 10 33 1 0 11 34 1 6 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 16 43 1 0 16 44 1 0 19 45 1 0 M END