HMDB0028933 RDKit 3D Leucylleucine 41 40 0 0 0 0 0 0 0 0999 V2000 4.6790 -0.2714 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 0.7232 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 2.0356 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 0.9871 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 -0.2940 0.6594 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3261 -1.2973 -0.3381 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6379 -0.1225 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2544 0.7187 1.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.8892 0.2894 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 -0.7197 0.5771 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5223 -0.2398 -0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9799 -0.0275 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5677 0.4662 -1.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 0.9628 0.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 -1.9492 1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -2.9255 1.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6346 -2.0558 1.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7031 0.0005 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -1.2987 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 -0.1708 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6547 0.3717 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0644 2.1290 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3962 2.8413 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 2.0255 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5825 1.6832 1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4263 1.4869 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 -0.6890 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 -1.1803 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 -2.2402 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1151 -1.6120 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 0.0738 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 0.6590 -1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3906 -1.0359 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5544 -0.9780 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5591 -0.3134 -2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0167 1.3846 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 0.7842 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6838 1.8494 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4853 0.5579 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3722 1.3766 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 -2.8071 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 10 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 1 6 28 1 0 6 29 1 0 9 30 1 0 10 31 1 1 11 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 17 41 1 0 M END