@MOLECULE n-{[(2s)-4-oxo-2-azetidinyl]carbonyl}-l-histidyl-l-prolinamide 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8921 -1.3663 1.4148 O.2 1 UNL1111111111 -0.5372 2 O 4.2713 -0.3785 1.2243 O.2 1 UNL1111111111 -0.5052 3 O -1.8205 -0.9423 -1.0713 O.2 1 UNL1111111111 -0.4982 4 O -5.9225 -2.6330 -0.8148 O.2 1 UNL1111111111 -0.4521 5 N 2.0421 -0.6811 -0.3946 N.am 1 UNL1111111111 -0.4886 6 N -1.3045 0.1576 0.8418 N.am 1 UNL1111111111 -0.5789 7 N -4.6420 -0.8194 -0.0003 N.am 1 UNL1111111111 -0.6314 8 N 4.9392 -2.5172 1.0313 N.am 1 UNL1111111111 -0.7072 9 N 0.6164 4.1357 -0.0262 N.ar 1 UNL1111111111 -0.3717 10 N -1.5454 4.6774 -0.3055 N.ar 1 UNL1111111111 -0.3693 11 C 3.0030 -1.7812 -0.3156 C.3 1 UNL1111111111 0.0202 12 C 3.6503 -1.8610 -1.7177 C.3 1 UNL1111111111 -0.2847 13 C 2.3153 0.2009 -1.5416 C.3 1 UNL1111111111 -0.0474 14 C 3.4838 -0.4527 -2.3183 C.3 1 UNL1111111111 -0.2735 15 C -0.0074 0.5809 0.3043 C.3 1 UNL1111111111 0.0237 16 C 1.0110 -0.5687 0.5040 C.2 1 UNL1111111111 0.5458 17 C -3.3968 -1.1479 0.7434 C.3 1 UNL1111111111 0.0100 18 C 4.0930 -1.4643 0.7232 C.2 1 UNL1111111111 0.5627 19 C 0.4835 1.8492 1.0379 C.3 1 UNL1111111111 -0.2858 20 C -3.7296 -2.6627 0.5030 C.3 1 UNL1111111111 -0.3687 21 C -2.1099 -0.6704 0.0722 C.2 1 UNL1111111111 0.5440 22 C -4.9878 -2.1599 -0.2488 C.2 1 UNL1111111111 0.6131 23 C -0.1395 3.0647 0.4694 C.ar 1 UNL1111111111 -0.0038 24 C -1.4787 3.4255 0.2874 C.ar 1 UNL1111111111 -0.0649 25 C -0.2848 5.0995 -0.4879 C.ar 1 UNL1111111111 0.0748 26 H 2.4728 -2.7276 -0.0312 H 1 UNL1111111111 0.1737 27 H 4.7109 -2.1592 -1.6696 H 1 UNL1111111111 0.1531 28 H 3.1437 -2.6183 -2.3431 H 1 UNL1111111111 0.1559 29 H 1.4077 0.2846 -2.1779 H 1 UNL1111111111 0.1455 30 H 2.5909 1.2158 -1.1889 H 1 UNL1111111111 0.1359 31 H 3.2785 -0.4946 -3.3996 H 1 UNL1111111111 0.1496 32 H 4.4112 0.1383 -2.1953 H 1 UNL1111111111 0.1512 33 H -0.1379 0.7924 -0.7973 H 1 UNL1111111111 0.1882 34 H -3.4660 -0.8351 1.8074 H 1 UNL1111111111 0.1587 35 H 0.2617 1.7688 2.1294 H 1 UNL1111111111 0.1815 36 H 1.5960 1.8987 0.9951 H 1 UNL1111111111 0.1739 37 H -1.4031 0.1952 1.8477 H 1 UNL1111111111 0.3194 38 H -3.9256 -3.2567 1.3959 H 1 UNL1111111111 0.1730 39 H -3.0235 -3.2014 -0.1398 H 1 UNL1111111111 0.1887 40 H -4.8808 0.0308 -0.4390 H 1 UNL1111111111 0.3270 41 H 5.6753 -2.3777 1.6967 H 1 UNL1111111111 0.3145 42 H 4.8060 -3.4432 0.6946 H 1 UNL1111111111 0.3034 43 H 1.6092 4.1949 -0.0166 H 1 UNL1111111111 0.3135 44 H -2.3718 2.8796 0.5256 H 1 UNL1111111111 0.1830 45 H 0.0192 6.0336 -0.9238 H 1 UNL1111111111 0.1843 @BOND 1 1 16 2 2 2 18 2 3 3 21 2 4 4 22 2 5 5 11 1 6 5 13 1 7 5 16 am 8 6 15 1 9 6 21 am 10 6 37 1 11 7 17 1 12 7 22 am 13 7 40 1 14 8 18 am 15 8 41 1 16 8 42 1 17 9 23 ar 18 9 25 ar 19 9 43 1 20 10 24 ar 21 10 25 ar 22 11 12 1 23 11 18 1 24 11 26 1 25 12 14 1 26 12 27 1 27 12 28 1 28 13 14 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 15 16 1 34 15 19 1 35 15 33 1 36 17 20 1 37 17 21 1 38 17 34 1 39 19 23 1 40 19 35 1 41 19 36 1 42 20 22 1 43 20 38 1 44 20 39 1 45 23 24 ar 46 24 44 1 47 25 45 1