@MOLECULE (2s,3r)-2-amino-3-methyl-1-pentanol 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9015 -1.4277 0.4659 O.3 1 ILE1111111111 -0.5586 2 N -0.5356 1.3464 -1.4214 N.3 1 ILE1111111111 -0.6520 3 CB 0.5258 0.1514 0.5801 C.3 1 ILE1111111111 -0.1409 4 CA -0.4944 0.1280 -0.5884 C.3 1 ILE1111111111 0.0218 5 CG1 1.9672 -0.0022 0.0593 C.3 1 ILE1111111111 -0.2667 6 CG2 0.4209 1.4257 1.4242 C.3 1 ILE1111111111 -0.4560 7 C -1.9298 -0.1093 -0.0618 C.3 1 ILE1111111111 -0.0185 8 CD1 2.2476 -1.4145 -0.4534 C.3 1 ILE1111111111 -0.4401 9 HB 0.2879 -0.7280 1.2343 H 1 ILE1111111111 0.1646 10 HA -0.2380 -0.7342 -1.2636 H 1 ILE1111111111 0.1576 11 HG11 2.6773 0.2356 0.8764 H 1 ILE1111111111 0.1392 12 HG12 2.1706 0.7387 -0.7342 H 1 ILE1111111111 0.1278 13 HG21 0.7711 2.3099 0.8836 H 1 ILE1111111111 0.1376 14 HG22 -0.6093 1.6108 1.7478 H 1 ILE1111111111 0.1450 15 HG23 1.0288 1.3407 2.3336 H 1 ILE1111111111 0.1486 16 H1 -2.6643 -0.0414 -0.8832 H 1 ILE1111111111 0.1291 17 H2 -2.2067 0.5815 0.7506 H 1 ILE1111111111 0.1159 18 HD11 3.2970 -1.5289 -0.7467 H 1 ILE1111111111 0.1421 19 HD12 1.6334 -1.6617 -1.3266 H 1 ILE1111111111 0.1439 20 HD13 2.0343 -2.1675 0.3150 H 1 ILE1111111111 0.1492 21 H1 0.3145 1.4623 -1.9495 H 1 ILE1111111111 0.2511 22 H2 -0.6830 2.1771 -0.8705 H 1 ILE1111111111 0.2467 23 H -2.8066 -1.7784 0.5504 H 1 ILE1111111111 0.3126 @BOND 1 1 7 1 2 1 23 1 3 2 4 1 4 2 21 1 5 2 22 1 6 3 4 1 7 3 5 1 8 3 6 1 9 3 9 1 10 4 7 1 11 4 10 1 12 5 8 1 13 5 11 1 14 5 12 1 15 6 13 1 16 6 14 1 17 6 15 1 18 7 16 1 19 7 17 1 20 8 18 1 21 8 19 1 22 8 20 1