HMDB0029130 RDKit 3D Valylisoleucine 38 37 0 0 0 0 0 0 0 0999 V2000 -4.0123 0.8579 -1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 0.1913 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 -0.3427 0.1388 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6457 0.7025 1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 -1.0876 0.2712 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1193 -0.2315 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8853 0.0212 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 -0.5215 2.0896 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 0.9045 0.6972 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9213 1.0011 1.8395 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 0.4599 -0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 -0.9462 -0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 1.4036 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1951 -2.2737 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 -2.3975 -1.4559 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -3.2363 -0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 1.5670 -2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7855 0.1207 -1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3325 1.4650 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8749 0.9377 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 -0.6553 -1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 -1.1014 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 1.7414 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 0.5366 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 0.6601 1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 -1.4754 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0472 0.2177 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6572 1.9294 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 1.7876 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9285 0.1343 2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 0.4505 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 -1.6440 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 -1.0609 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -1.1590 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 1.4438 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6671 2.4162 -0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 1.1217 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -3.9386 0.1904 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 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 2 21 1 0 3 22 1 1 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 1 6 27 1 0 9 28 1 6 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