@MOLECULE 4-nitrophenyl n~2~-[(benzyloxy)carbonyl]-l-lysinate 52 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.1067 -1.1437 0.1694 C.3 1 UNL1 0.0438 2 C 3.9493 0.6730 1.3126 C.ar 1 UNL1 -0.2382 3 C 4.0155 -0.1443 -1.0015 C.ar 1 UNL1 -0.2548 4 C 5.2434 1.1522 1.1788 C.ar 1 UNL1 -0.0426 5 C 5.3113 0.3432 -1.1279 C.ar 1 UNL1 -0.0367 6 C -5.3845 1.5495 -0.8386 C.ar 1 UNL1 -0.1380 7 C -5.6612 3.3650 0.7366 C.ar 1 UNL1 -0.1652 8 C -6.4702 2.0250 -1.5723 C.ar 1 UNL1 -0.1429 9 C -6.7510 3.8302 0.0051 C.ar 1 UNL1 -0.1379 10 C -7.1549 3.1628 -1.1508 C.ar 1 UNL1 -0.1508 11 C -0.2528 -2.5736 -0.3836 C.3 1 UNL1 -0.2988 12 C -3.8236 1.7262 1.1249 C.3 1 UNL1 -0.0158 13 C -1.3888 -3.3117 0.3321 C.3 1 UNL1 -0.2640 14 C -1.5808 -4.7060 -0.2692 C.3 1 UNL1 -0.2817 15 C -2.7338 -5.4387 0.4405 C.3 1 UNL1 -0.1031 16 H -1.4530 -0.1961 -1.1875 H 1 UNL1 0.3405 17 H -3.5118 -7.3636 0.3937 H 1 UNL1 0.2491 18 H -3.0179 -6.8330 -1.0743 H 1 UNL1 0.2461 19 C 3.3584 0.0301 0.2165 C.ar 1 UNL1 0.3015 20 C 5.9145 0.9833 -0.0400 C.ar 1 UNL1 -0.1301 21 C -4.9788 2.2224 0.3135 C.ar 1 UNL1 -0.0306 22 O 1.2817 -0.1486 -1.5970 O.2 1 UNL1 -0.4456 23 O -1.7658 0.2554 1.9691 O.2 1 UNL1 -0.5466 24 O 7.8218 1.3737 -1.2587 O.2 1 UNL1 -0.4020 25 C 1.1400 -0.5288 -0.4739 C.2 1 UNL1 0.5640 26 C -1.9684 0.3227 0.7779 C.2 1 UNL1 0.7214 27 O 2.1156 -0.4778 0.4851 O.3 1 UNL1 -0.4135 28 O -2.9848 1.0202 0.1922 O.3 1 UNL1 -0.4175 29 N -2.8171 -6.8186 -0.0888 N.3 1 UNL1 -0.6496 30 N -1.2275 -0.2952 -0.2068 N.am 1 UNL1 -0.5970 31 O 7.7959 1.9966 0.8005 O.2 1 UNL1 -0.4039 32 N 7.2698 1.4863 -0.1758 N.pl3 1 UNL1 0.6333 33 H 0.0014 -1.1686 1.2964 H 1 UNL1 0.2096 34 H 3.3926 0.7871 2.2425 H 1 UNL1 0.1879 35 H 3.5280 -0.6402 -1.8411 H 1 UNL1 0.1937 36 H 5.7397 1.6607 2.0136 H 1 UNL1 0.1887 37 H 5.8576 0.2283 -2.0718 H 1 UNL1 0.1889 38 H -0.4376 -2.5513 -1.4764 H 1 UNL1 0.1597 39 H 0.6993 -3.1264 -0.2486 H 1 UNL1 0.1604 40 H -3.2179 2.5390 1.5701 H 1 UNL1 0.1516 41 H -4.1466 1.0304 1.9262 H 1 UNL1 0.1561 42 H -1.1712 -3.3903 1.4158 H 1 UNL1 0.1479 43 H -2.3295 -2.7313 0.2568 H 1 UNL1 0.1480 44 H -4.8538 0.6571 -1.1683 H 1 UNL1 0.1614 45 H -5.3453 3.8937 1.6338 H 1 UNL1 0.1537 46 H -1.7818 -4.6398 -1.3539 H 1 UNL1 0.1380 47 H -0.6542 -5.3072 -0.1726 H 1 UNL1 0.1591 48 H -6.7831 1.5046 -2.4756 H 1 UNL1 0.1504 49 H -7.2865 4.7188 0.3345 H 1 UNL1 0.1508 50 H -8.0037 3.5313 -1.7232 H 1 UNL1 0.1510 51 H -2.5264 -5.5057 1.5321 H 1 UNL1 0.1424 52 H -3.6811 -4.8711 0.3230 H 1 UNL1 0.1079 @BOND 1 48 8 1 2 37 5 1 3 35 3 1 4 50 10 1 5 22 25 2 6 8 10 ar 7 8 6 ar 8 38 11 1 9 46 14 1 10 24 32 2 11 16 30 1 12 44 6 1 13 10 9 ar 14 5 3 ar 15 5 20 ar 16 18 29 1 17 3 19 ar 18 6 21 ar 19 25 1 1 20 25 27 1 21 11 39 1 22 11 1 1 23 11 13 1 24 14 47 1 25 14 13 1 26 14 15 1 27 30 1 1 28 30 26 am 29 32 20 1 30 32 31 2 31 29 17 1 32 29 15 1 33 20 4 ar 34 9 49 1 35 9 7 ar 36 1 33 1 37 28 26 1 38 28 12 1 39 19 27 1 40 19 2 ar 41 43 13 1 42 21 7 ar 43 21 12 1 44 52 15 1 45 13 42 1 46 15 51 1 47 7 45 1 48 26 23 2 49 12 40 1 50 12 41 1 51 4 2 ar 52 4 36 1 53 2 34 1