@MOLECULE n-(4-nitrophenyl)-d-leucinamide 35 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.8607 0.5211 -0.2539 C.3 1 UNL1 -0.0295 2 C 1.4356 -0.8748 -0.0168 C.ar 1 UNL1 -0.2610 3 C 1.8873 1.5240 -0.0674 C.ar 1 UNL1 -0.2935 4 C 2.7986 -1.1227 0.0211 C.ar 1 UNL1 -0.0243 5 C 3.2471 1.2711 -0.0303 C.ar 1 UNL1 -0.0226 6 C -3.8744 -0.3964 0.4475 C.3 1 UNL1 -0.3348 7 C -5.6463 -0.5265 -1.3513 C.3 1 UNL1 -0.4555 8 C -6.2842 -0.7076 1.0685 C.3 1 UNL1 -0.4557 9 H -3.5411 2.4778 -0.1324 H 1 UNL1 0.2642 10 H -2.9412 1.9152 1.2848 H 1 UNL1 0.2614 11 H -0.6345 1.7843 -0.1007 H 1 UNL1 0.3443 12 C 0.9663 0.4501 -0.0639 C.ar 1 UNL1 0.2931 13 C 3.7015 -0.0528 0.0138 C.ar 1 UNL1 -0.1574 14 O -1.3074 -1.3101 -0.1202 O.2 1 UNL1 -0.4986 15 O 5.8895 0.6359 0.0326 O.2 1 UNL1 -0.4169 16 C -1.4583 -0.1120 -0.1346 C.2 1 UNL1 0.5636 17 C -5.3254 -0.0494 0.0694 C.3 1 UNL1 -0.0575 18 N -2.8270 1.8973 0.2810 N.3 1 UNL1 -0.6577 19 N -0.3909 0.7857 -0.1161 N.am 1 UNL1 -0.5497 20 O 5.4980 -1.4776 0.1036 O.2 1 UNL1 -0.4101 21 N 5.1232 -0.3161 0.0526 N.pl3 1 UNL1 0.6404 22 H -5.4681 1.0560 0.1194 H 1 UNL1 0.1205 23 H -3.6648 -1.4579 0.1865 H 1 UNL1 0.1836 24 H -3.7383 -0.3481 1.5442 H 1 UNL1 0.1515 25 H -3.0885 0.5683 -1.3558 H 1 UNL1 0.1716 26 H -6.6824 -0.2952 -1.6236 H 1 UNL1 0.1475 27 H -5.0001 -0.0544 -2.0979 H 1 UNL1 0.1393 28 H -5.5204 -1.6118 -1.4472 H 1 UNL1 0.1546 29 H -6.1214 -0.3412 2.0875 H 1 UNL1 0.1427 30 H -7.3292 -0.5018 0.8098 H 1 UNL1 0.1480 31 H -6.1624 -1.7969 1.0861 H 1 UNL1 0.1532 32 H 0.7358 -1.7163 -0.0090 H 1 UNL1 0.2093 33 H 1.5293 2.5508 -0.1012 H 1 UNL1 0.1683 34 H 3.1719 -2.1533 0.0568 H 1 UNL1 0.1854 35 H 3.9684 2.0963 -0.0351 H 1 UNL1 0.1823 @BOND 1 27 7 1 2 26 7 1 3 28 7 1 4 25 1 1 5 7 17 1 6 1 16 1 7 1 18 1 8 1 6 1 9 16 14 2 10 16 19 am 11 9 18 1 12 19 11 1 13 19 12 1 14 33 3 1 15 3 12 ar 16 3 5 ar 17 12 2 ar 18 35 5 1 19 5 13 ar 20 2 32 1 21 2 4 ar 22 13 4 ar 23 13 21 1 24 4 34 1 25 15 21 2 26 21 20 2 27 17 22 1 28 17 6 1 29 17 8 1 30 23 6 1 31 18 10 1 32 6 24 1 33 30 8 1 34 8 31 1 35 8 29 1