@MOLECULE n-(ethoxycarbonyl)-l-leucine 31 30 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.8158 0.3673 -0.7040 C.3 0 UNK0 -0.4654 2 C 3.7163 0.3967 0.3434 C.3 0 UNK0 0.0224 3 O 2.5347 0.0413 -0.4020 O.3 0 UNK0 -0.4302 4 C 1.3997 -0.0213 0.3517 C.2 0 UNK0 0.7220 5 O 1.3466 0.2028 1.5415 O.2 0 UNK0 -0.5594 6 N 0.3383 -0.3623 -0.4556 N.am 1 LEU1 -0.5982 7 CA -0.9874 -0.5208 0.1297 C.3 1 LEU1 0.0407 8 C -1.4223 -1.9643 -0.1156 C.2 1 LEU1 0.5967 9 O -1.1905 -2.6563 -1.0687 O.2 1 LEU1 -0.4934 10 CB -2.0225 0.3989 -0.5448 C.3 1 LEU1 -0.3151 11 CG -1.7707 1.8823 -0.2118 C.3 1 LEU1 -0.0451 12 CD1 -2.6218 2.7593 -1.1383 C.3 1 LEU1 -0.4573 13 CD2 -2.1056 2.1826 1.2521 C.3 1 LEU1 -0.4588 14 OXT -2.1700 -2.4032 0.9235 O.3 1 LEU1 -0.5515 15 H 4.5981 1.0544 -1.5325 H 0 UNK0 0.1611 16 H 5.7808 0.6544 -0.2712 H 0 UNK0 0.1559 17 H 4.9255 -0.6342 -1.1415 H 0 UNK0 0.1624 18 H 3.8614 -0.3469 1.1474 H 0 UNK0 0.1376 19 H 3.5620 1.3964 0.7861 H 0 UNK0 0.1348 20 H 0.4596 -0.5669 -1.4382 H 1 LEU1 0.3390 21 HA -0.9483 -0.3133 1.2421 H 1 LEU1 0.2101 22 HB1 -2.0027 0.2537 -1.6429 H 1 LEU1 0.1552 23 HB2 -3.0417 0.1110 -0.2176 H 1 LEU1 0.1608 24 HXT -2.4808 -3.3383 0.8275 H 1 LEU1 0.3573 25 HG -0.6915 2.1151 -0.3894 H 1 LEU1 0.1412 26 HD11 -3.6908 2.5535 -1.0195 H 1 LEU1 0.1448 27 HD12 -2.4698 3.8231 -0.9238 H 1 LEU1 0.1451 28 HD13 -2.3658 2.6010 -2.1913 H 1 LEU1 0.1429 29 HD21 -1.4393 1.6436 1.9376 H 1 LEU1 0.1544 30 HD22 -1.9899 3.2495 1.4732 H 1 LEU1 0.1451 31 HD23 -3.1350 1.9054 1.5004 H 1 LEU1 0.1449 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 18 1 7 2 19 1 8 3 4 1 9 4 5 2 10 4 6 am 11 6 7 1 12 6 20 1 13 7 8 1 14 7 10 1 15 7 21 1 16 8 9 2 17 8 14 1 18 10 11 1 19 10 22 1 20 10 23 1 21 11 12 1 22 11 13 1 23 11 25 1 24 12 26 1 25 12 27 1 26 12 28 1 27 13 29 1 28 13 30 1 29 13 31 1 30 14 24 1