HMDB0029131 RDKit 3D Valylleucine 38 37 0 0 0 0 0 0 0 0999 V2000 -4.4476 -1.4691 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 -0.3200 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2707 0.8368 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3953 -0.8106 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 -0.1660 -0.6660 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0225 -0.0023 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.0751 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 -0.0946 -1.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 0.3873 0.5085 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2128 0.1023 1.9191 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7081 -0.0901 -0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0324 -1.5113 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 0.9029 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 1.3533 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 1.8202 -2.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 2.1056 -0.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 -2.3716 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2846 -1.1400 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8505 -1.5978 -0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0031 -0.1984 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 1.0677 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3629 0.5056 0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2672 1.7007 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1556 -1.9164 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 -0.9372 -1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7928 -0.5792 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 0.0671 1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 1.5386 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 -0.2653 2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 0.6861 2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 0.1112 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -1.9668 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1863 -2.0609 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 -1.6228 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 1.2732 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7257 0.4674 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 1.8529 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 2.2664 0.8731 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 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 5 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 6 6 27 1 0 9 28 1 1 10 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 16 38 1 0 M END