@MOLECULE n-methyl-d-leucine 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.5778 -1.5101 -0.3116 N.3 1 LEU1111111111 -0.5118 2 C 1.6281 -2.2689 0.3958 C.3 0 UNK0 -0.2761 3 CA 0.4026 -0.1543 0.2201 C.3 1 LEU1 -0.0103 4 C 1.6151 0.7286 -0.0630 C.2 1 LEU1 0.5805 5 O 2.4695 0.5742 -0.8944 O.2 1 LEU1 -0.5150 6 CB -0.8131 0.5253 -0.4436 C.3 1 LEU1 -0.2980 7 CG -2.1299 -0.1977 -0.1011 C.3 1 LEU1 -0.0477 8 CD1 -2.5165 0.0184 1.3659 C.3 1 LEU1 -0.4536 9 CD2 -3.2438 0.3243 -1.0175 C.3 1 LEU1 -0.4575 10 OXT 1.6374 1.7919 0.7775 O.3 1 LEU1 -0.5631 11 H 0.7551 -1.4940 -1.3172 H 1 LEU1 0.2698 12 H 1.6289 -3.3022 0.0067 H 0 UNK0 0.1517 13 H 2.6419 -1.8536 0.2764 H 0 UNK0 0.1332 14 H 1.3923 -2.3256 1.4709 H 0 UNK0 0.1458 15 HA 0.2407 -0.2160 1.3313 H 1 LEU1 0.1788 16 HB1 -0.8693 1.5821 -0.1157 H 1 LEU1 0.1568 17 HB2 -0.6796 0.5486 -1.5425 H 1 LEU1 0.1486 18 HXT 2.3961 2.4077 0.6263 H 1 LEU1 0.3553 19 HG -1.9912 -1.2940 -0.2809 H 1 LEU1 0.1546 20 HD11 -2.6158 1.0819 1.6060 H 1 LEU1 0.1440 21 HD12 -3.4736 -0.4629 1.5946 H 1 LEU1 0.1419 22 HD13 -1.7709 -0.4094 2.0448 H 1 LEU1 0.1424 23 HD21 -3.0127 0.1448 -2.0729 H 1 LEU1 0.1429 24 HD22 -4.1955 -0.1737 -0.8036 H 1 LEU1 0.1428 25 HD23 -3.3999 1.4004 -0.8875 H 1 LEU1 0.1441 @BOND 1 1 2 1 2 1 3 1 3 1 11 1 4 2 12 1 5 2 13 1 6 2 14 1 7 3 4 1 8 3 6 1 9 3 15 1 10 4 5 2 11 4 10 1 12 6 7 1 13 6 16 1 14 6 17 1 15 7 8 1 16 7 9 1 17 7 19 1 18 8 20 1 19 8 21 1 20 8 22 1 21 9 23 1 22 9 24 1 23 9 25 1 24 10 18 1