@MOLECULE methyl 1-(5-oxoprolylhistidyl)-2-piperidinecarboxylate 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2670 -1.1365 -2.4121 O.2 1 UNL1111111111 -0.5287 2 O 3.8342 1.3566 1.8316 O.3 1 UNL1111111111 -0.4009 3 O 3.4570 1.6146 -0.3694 O.2 1 UNL1111111111 -0.5031 4 O -1.5815 -1.1263 1.2754 O.2 1 UNL1111111111 -0.5217 5 O -5.7758 -1.3178 1.9893 O.2 1 UNL1111111111 -0.5001 6 N 2.6045 -1.0383 -0.5986 N.am 1 UNL1111111111 -0.4762 7 N -0.9756 -0.8513 -0.8838 N.am 1 UNL1111111111 -0.5921 8 N -4.0483 -2.1581 0.7522 N.am 1 UNL1111111111 -0.5929 9 N -1.7283 2.8945 -1.4624 N.ar 1 UNL1111111111 -0.3762 10 N -2.9585 2.7432 0.4101 N.ar 1 UNL1111111111 -0.3719 11 C 2.9002 -0.5081 0.7277 C.3 1 UNL1111111111 0.0210 12 C 3.9103 -1.4003 1.4781 C.3 1 UNL1111111111 -0.2760 13 C 3.7711 -1.3814 -1.4404 C.3 1 UNL1111111111 -0.0701 14 C 5.1574 -1.6715 0.6355 C.3 1 UNL1111111111 -0.2659 15 C 4.7362 -2.3096 -0.6904 C.3 1 UNL1111111111 -0.2850 16 C 0.2357 -0.1287 -0.5131 C.3 1 UNL1111111111 0.0243 17 C 1.4104 -0.7970 -1.2537 C.2 1 UNL1111111111 0.5472 18 C -3.2232 -1.7560 -0.3861 C.3 1 UNL1111111111 0.0026 19 C 0.1935 1.3427 -0.9996 C.3 1 UNL1111111111 -0.3112 20 C 3.4310 0.9248 0.6150 C.2 1 UNL1111111111 0.5495 21 C -4.0279 -0.6227 -1.0880 C.3 1 UNL1111111111 -0.2796 22 C -1.8678 -1.2250 0.1014 C.2 1 UNL1111111111 0.5443 23 C -5.1014 -0.1925 -0.0765 C.3 1 UNL1111111111 -0.3637 24 C -5.0597 -1.2306 1.0245 C.2 1 UNL1111111111 0.6048 25 C -1.0605 2.0108 -0.6041 C.ar 1 UNL1111111111 0.0104 26 C -1.8406 1.9361 0.5532 C.ar 1 UNL1111111111 -0.0801 27 C 4.3025 2.7018 1.8958 C.3 1 UNL1111111111 -0.1686 28 C -2.8806 3.3222 -0.7973 C.ar 1 UNL1111111111 0.0642 29 H 1.9514 -0.4729 1.3444 H 1 UNL1111111111 0.1803 30 H 4.1832 -0.9274 2.4425 H 1 UNL1111111111 0.1609 31 H 3.4180 -2.3610 1.7371 H 1 UNL1111111111 0.1620 32 H 4.2883 -0.4451 -1.7551 H 1 UNL1111111111 0.1457 33 H 3.4081 -1.8804 -2.3723 H 1 UNL1111111111 0.1721 34 H 5.7189 -0.7353 0.4555 H 1 UNL1111111111 0.1415 35 H 5.8528 -2.3358 1.1819 H 1 UNL1111111111 0.1425 36 H 5.6180 -2.5170 -1.3241 H 1 UNL1111111111 0.1434 37 H 4.2529 -3.2894 -0.5061 H 1 UNL1111111111 0.1543 38 H 0.3501 -0.1579 0.6067 H 1 UNL1111111111 0.1875 39 H -3.0677 -2.6343 -1.0620 H 1 UNL1111111111 0.1653 40 H 0.3358 1.3712 -2.1049 H 1 UNL1111111111 0.1756 41 H 1.0746 1.8928 -0.5907 H 1 UNL1111111111 0.1858 42 H -3.3862 0.2282 -1.3717 H 1 UNL1111111111 0.1571 43 H -4.4865 -0.9971 -2.0184 H 1 UNL1111111111 0.1529 44 H -1.1565 -0.9527 -1.8715 H 1 UNL1111111111 0.3301 45 H -4.8848 0.8107 0.3548 H 1 UNL1111111111 0.2001 46 H -6.1076 -0.1208 -0.5209 H 1 UNL1111111111 0.1754 47 H -3.6630 -2.7559 1.4634 H 1 UNL1111111111 0.3289 48 H -1.4087 3.1798 -2.3597 H 1 UNL1111111111 0.3135 49 H -1.6845 1.3604 1.4500 H 1 UNL1111111111 0.2008 50 H 5.2390 2.7959 1.3375 H 1 UNL1111111111 0.1370 51 H 3.5476 3.3905 1.4997 H 1 UNL1111111111 0.1482 52 H 4.4599 2.8548 2.9700 H 1 UNL1111111111 0.1488 53 H -3.5862 4.0181 -1.2137 H 1 UNL1111111111 0.1859 @BOND 1 1 17 2 2 2 20 1 3 2 27 1 4 3 20 2 5 4 22 2 6 5 24 2 7 6 11 1 8 6 13 1 9 6 17 am 10 7 16 1 11 7 22 am 12 7 44 1 13 8 18 1 14 8 24 am 15 8 47 1 16 9 25 ar 17 9 28 ar 18 9 48 1 19 10 26 ar 20 10 28 ar 21 11 12 1 22 11 20 1 23 11 29 1 24 12 14 1 25 12 30 1 26 12 31 1 27 13 15 1 28 13 32 1 29 13 33 1 30 14 15 1 31 14 34 1 32 14 35 1 33 15 36 1 34 15 37 1 35 16 17 1 36 16 19 1 37 16 38 1 38 18 21 1 39 18 22 1 40 18 39 1 41 19 25 1 42 19 40 1 43 19 41 1 44 21 23 1 45 21 42 1 46 21 43 1 47 23 24 1 48 23 45 1 49 23 46 1 50 25 26 ar 51 26 49 1 52 27 50 1 53 27 51 1 54 27 52 1 55 28 53 1