@MOLECULE n-(4-nitrophenyl)-l-leucinamide 35 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.9337 -0.3960 -0.7159 C.3 1 UNL1 -0.0234 2 C 1.6364 1.1998 -0.8999 C.ar 1 UNL1 -0.2936 3 C 2.9895 1.2297 -0.6106 C.ar 1 UNL1 -0.0233 4 C 2.8115 -0.9629 0.4361 C.ar 1 UNL1 -0.0243 5 C 1.4553 -0.9971 0.1482 C.ar 1 UNL1 -0.2531 6 C -3.6307 -0.0900 0.6252 C.3 1 UNL1 -0.3445 7 C -5.7786 0.5433 1.7481 C.3 1 UNL1 -0.4565 8 C -4.8357 2.0357 -0.0360 C.3 1 UNL1 -0.4568 9 H -0.8265 0.9413 -1.3606 H 1 UNL1 0.3167 10 H -3.3363 -2.4127 -0.9841 H 1 UNL1 0.2693 11 H -4.4654 -1.4211 -1.6592 H 1 UNL1 0.2595 12 C 3.5728 0.1517 0.0663 C.ar 1 UNL1 -0.1520 13 C 0.8532 0.0901 -0.5073 C.ar 1 UNL1 0.2892 14 O -1.2050 -1.7639 0.2544 O.2 1 UNL1 -0.4804 15 O 5.6348 1.1565 0.0110 O.2 1 UNL1 -0.4142 16 C -1.4823 -0.7732 -0.3743 C.2 1 UNL1 0.5738 17 C -4.9998 0.5837 0.4280 C.3 1 UNL1 -0.0525 18 N -3.4817 -1.5355 -1.4688 N.3 1 UNL1 -0.6305 19 N -0.5200 0.1543 -0.7924 N.am 1 UNL1 -0.5690 20 O 5.4578 -0.7253 1.0384 O.2 1 UNL1 -0.4065 21 N 4.9828 0.1960 0.3927 N.pl3 1 UNL1 0.6390 22 H -2.9890 0.4999 -1.3878 H 1 UNL1 0.1574 23 H 1.1800 2.0373 -1.4225 H 1 UNL1 0.1656 24 H 3.6039 2.0891 -0.9030 H 1 UNL1 0.1832 25 H 3.2878 -1.8050 0.9537 H 1 UNL1 0.1870 26 H 0.8682 -1.8750 0.4363 H 1 UNL1 0.2099 27 H -3.7449 -1.0281 1.2054 H 1 UNL1 0.1639 28 H -2.9877 0.5559 1.2544 H 1 UNL1 0.1580 29 H -5.5806 0.0230 -0.3429 H 1 UNL1 0.1264 30 H -5.2473 1.0748 2.5455 H 1 UNL1 0.1508 31 H -6.7631 1.0133 1.6438 H 1 UNL1 0.1481 32 H -5.9434 -0.4843 2.0886 H 1 UNL1 0.1462 33 H -4.2219 2.6155 0.6630 H 1 UNL1 0.1492 34 H -4.3708 2.0990 -1.0239 H 1 UNL1 0.1384 35 H -5.8075 2.5401 -0.1052 H 1 UNL1 0.1491 @BOND 1 11 18 1 2 18 10 1 3 18 1 1 4 23 2 1 5 22 1 1 6 9 19 1 7 34 8 1 8 24 3 1 9 2 3 ar 10 2 13 ar 11 19 13 1 12 19 16 am 13 1 16 1 14 1 6 1 15 3 12 ar 16 13 5 ar 17 16 14 2 18 29 17 1 19 35 8 1 20 8 17 1 21 8 33 1 22 15 21 2 23 12 21 1 24 12 4 ar 25 5 4 ar 26 5 26 1 27 21 20 2 28 17 6 1 29 17 7 1 30 4 25 1 31 6 27 1 32 6 28 1 33 31 7 1 34 7 32 1 35 7 30 1