@MOLECULE 4-nitrophenyl n~2~-[(benzyloxy)carbonyl]-n~5~-(diaminomethylene)-l-ornithinate 54 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.3953 1.3311 0.0152 C.3 1 UNL1 0.0386 2 C -4.6619 0.3662 1.3106 C.ar 1 UNL1 -0.2470 3 C -4.4376 -0.1220 -1.0833 C.ar 1 UNL1 -0.2741 4 C -5.9620 -0.1096 1.2881 C.ar 1 UNL1 -0.0379 5 C -5.7465 -0.5932 -1.0969 C.ar 1 UNL1 -0.0293 6 C 4.5917 -1.8663 -1.0671 C.ar 1 UNL1 -0.1329 7 C 5.1422 -3.0836 0.9503 C.ar 1 UNL1 -0.1678 8 C 5.8689 -2.1231 -1.5651 C.ar 1 UNL1 -0.1333 9 C 6.4093 -3.3533 0.4410 C.ar 1 UNL1 -0.1395 10 C 6.7734 -2.8728 -0.8170 C.ar 1 UNL1 -0.1508 11 C 0.0328 2.7374 -0.4389 C.3 1 UNL1 -0.3078 12 C 1.3721 3.1383 0.1845 C.3 1 UNL1 -0.2862 13 C 2.5429 2.9271 -0.8017 C.3 1 UNL1 -0.0677 14 C 2.8666 -2.1041 0.7589 C.3 1 UNL1 -0.0160 15 H 0.8085 0.2501 -1.3739 H 1 UNL1 0.3370 16 H 3.7469 0.5811 0.0992 H 1 UNL1 0.3005 17 H 5.2584 0.5138 0.7938 H 1 UNL1 0.2968 18 H 5.7762 3.9622 1.0885 H 1 UNL1 0.2980 19 H 6.6351 2.5544 0.8191 H 1 UNL1 0.2815 20 C -3.9148 0.3479 0.1207 C.ar 1 UNL1 0.3134 21 C 4.2314 -2.3424 0.1925 C.ar 1 UNL1 -0.0475 22 C -6.4960 -0.5887 0.0834 C.ar 1 UNL1 -0.1385 23 O -1.9378 0.8805 -1.8457 O.2 1 UNL1 -0.4472 24 O 1.0933 -0.3168 1.7652 O.2 1 UNL1 -0.5244 25 O -8.3104 -1.4909 -0.9959 O.2 1 UNL1 -0.4031 26 C -1.7196 0.9801 -0.6770 C.2 1 UNL1 0.5800 27 C 1.2701 -0.3651 0.5715 C.2 1 UNL1 0.7156 28 C 4.6323 2.4407 0.3286 C.cat 1 UNL1 0.5268 29 O -2.6425 0.8004 0.3152 O.3 1 UNL1 -0.4140 30 O 2.2687 -1.0719 -0.0428 O.3 1 UNL1 -0.4525 31 N 4.6363 1.0367 0.2009 N.pl3 1 UNL1 -0.6780 32 N 5.7406 2.9503 1.0576 N.pl3 1 UNL1 -0.6243 33 N 0.5394 0.2890 -0.3977 N.am 1 UNL1 -0.5859 34 N 3.7911 3.2971 -0.1616 N.pl3 1 UNL1 -0.5901 35 O -8.4855 -1.0954 1.1118 O.2 1 UNL1 -0.4054 36 N -7.8568 -1.0926 0.0651 N.pl3 1 UNL1 0.6349 37 H 0.0808 2.7958 -1.5453 H 1 UNL1 0.1647 38 H -0.7499 3.4679 -0.1458 H 1 UNL1 0.1624 39 H -0.5237 1.3089 1.1408 H 1 UNL1 0.2089 40 H 1.3558 4.2049 0.4890 H 1 UNL1 0.1643 41 H 1.5638 2.5854 1.1239 H 1 UNL1 0.1559 42 H 2.5299 1.8998 -1.2186 H 1 UNL1 0.1110 43 H 2.4286 3.6194 -1.6731 H 1 UNL1 0.1522 44 H 2.2132 -2.9939 0.6512 H 1 UNL1 0.1541 45 H 2.8949 -1.7940 1.8245 H 1 UNL1 0.1635 46 H -4.2107 0.7449 2.2273 H 1 UNL1 0.1870 47 H -3.8477 -0.1282 -2.0018 H 1 UNL1 0.2040 48 H -6.5726 -0.1152 2.1984 H 1 UNL1 0.1879 49 H -6.1893 -0.9669 -2.0284 H 1 UNL1 0.1890 50 H 3.8849 -1.2928 -1.6667 H 1 UNL1 0.1644 51 H 4.8628 -3.4546 1.9344 H 1 UNL1 0.1537 52 H 6.1559 -1.7365 -2.5417 H 1 UNL1 0.1540 53 H 7.1178 -3.9397 1.0234 H 1 UNL1 0.1507 54 H 7.7653 -3.0822 -1.2126 H 1 UNL1 0.1504 @BOND 1 52 8 1 2 49 5 1 3 47 3 1 4 23 26 2 5 43 13 1 6 50 6 1 7 8 6 ar 8 8 10 ar 9 37 11 1 10 15 33 1 11 42 13 1 12 54 10 1 13 5 3 ar 14 5 22 ar 15 3 20 ar 16 6 21 ar 17 25 36 2 18 10 9 ar 19 13 34 1 20 13 12 1 21 26 1 1 22 26 29 1 23 11 38 1 24 11 1 1 25 11 12 1 26 33 1 1 27 33 27 am 28 34 28 2 29 30 27 1 30 30 14 1 31 1 39 1 32 36 22 1 33 36 35 2 34 22 4 ar 35 16 31 1 36 20 29 1 37 20 2 ar 38 12 40 1 39 12 41 1 40 21 14 1 41 21 7 ar 42 31 28 1 43 31 17 1 44 28 32 1 45 9 7 ar 46 9 53 1 47 27 24 2 48 44 14 1 49 14 45 1 50 19 32 1 51 7 51 1 52 32 18 1 53 4 2 ar 54 4 48 1 55 2 46 1