@MOLECULE 2-({(2s)-1-amino-5-[(2-fluoroethanimidoyl)amino]-1-oxo-2-pentanyl}carbamoyl)benzoic acid 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 F 6.0114 -1.4492 1.9260 F 1 UNL1111111111 -0.1969 2 C -4.0180 -0.1944 1.1674 C.2 1 UNL1111111111 0.6383 3 O -5.0414 -0.6874 1.9121 O.3 1 UNL1111111111 -0.5474 4 O -3.5895 0.9132 1.3641 O.2 1 UNL1111111111 -0.4871 5 N -0.6311 4.3641 0.4233 N.am 1 UNL1111111111 -0.6753 6 N 6.1415 -0.4073 -1.2667 N.2 1 UNL1111111111 -0.6292 7 O -1.1859 3.4774 -1.5731 O.2 1 UNL1111111111 -0.5285 8 O -0.7101 -0.3700 1.3032 O.2 1 UNL1111111111 -0.5118 9 C -4.0592 -3.0118 -1.3314 C.ar 1 UNL1111111111 -0.1559 10 C -4.4782 -2.1159 -0.3487 C.ar 1 UNL1111111111 -0.0769 11 C -2.7517 -2.9644 -1.8112 C.ar 1 UNL1111111111 -0.1053 12 C -3.5831 -1.1684 0.1491 C.ar 1 UNL1111111111 -0.1095 13 C -1.8528 -2.0234 -1.3089 C.ar 1 UNL1111111111 -0.1441 14 C 2.0558 0.6951 0.0420 C.3 1 UNL1111111111 -0.2906 15 C 3.4055 0.4641 -0.6529 C.3 1 UNL1111111111 -0.0829 16 C 1.2981 1.8409 -0.6310 C.3 1 UNL1111111111 -0.2874 17 C 6.1572 -1.8650 0.6422 C.3 1 UNL1111111111 -0.0835 18 N 4.0924 -0.6840 -0.0326 N.pl3 1 UNL1111111111 -0.5984 19 N -1.0072 0.9297 -0.5297 N.am 1 UNL1111111111 -0.5797 20 C -0.7041 3.3203 -0.4702 C.2 1 UNL1111111111 0.5550 21 C 5.4544 -0.8749 -0.2849 C.2 1 UNL1111111111 0.3676 22 C -1.2803 -0.1707 0.2503 C.2 1 UNL1111111111 0.5837 23 C -2.2713 -1.1296 -0.3273 C.ar 1 UNL1111111111 -0.0637 24 C -0.1146 1.9718 -0.0219 C.3 1 UNL1111111111 0.0224 25 H -1.0204 5.2547 0.1791 H 1 UNL1111111111 0.3138 26 H -0.3159 4.2553 1.3617 H 1 UNL1111111111 0.3074 27 H 5.7514 0.2219 -1.9404 H 1 UNL1111111111 0.2725 28 H -4.7566 -3.7519 -1.7219 H 1 UNL1111111111 0.1582 29 H -5.5012 -2.1555 0.0343 H 1 UNL1111111111 0.1753 30 H -2.4275 -3.6666 -2.5795 H 1 UNL1111111111 0.1563 31 H -0.8263 -1.9934 -1.6768 H 1 UNL1111111111 0.1689 32 H 1.4482 -0.2355 0.0125 H 1 UNL1111111111 0.1732 33 H 2.2029 0.9104 1.1187 H 1 UNL1111111111 0.1521 34 H 3.2488 0.2336 -1.7325 H 1 UNL1111111111 0.1436 35 H 4.0308 1.3838 -0.5978 H 1 UNL1111111111 0.1306 36 H 1.8514 2.7922 -0.5132 H 1 UNL1111111111 0.1494 37 H 1.2180 1.6705 -1.7239 H 1 UNL1111111111 0.1626 38 H 7.2500 -1.9147 0.3971 H 1 UNL1111111111 0.1783 39 H 5.7216 -2.8863 0.5306 H 1 UNL1111111111 0.1543 40 H -1.5075 1.1373 -1.3862 H 1 UNL1111111111 0.3375 41 H -0.0567 1.8982 1.1006 H 1 UNL1111111111 0.1831 42 H -5.3412 -0.0625 2.6210 H 1 UNL1111111111 0.3585 43 H 3.7175 -0.9703 0.8630 H 1 UNL1111111111 0.3117 @BOND 1 2 3 1 2 2 4 2 3 2 12 1 4 3 42 1 5 5 20 am 6 5 25 1 7 5 26 1 8 6 21 2 9 6 27 1 10 7 20 2 11 8 22 2 12 9 10 ar 13 9 11 ar 14 9 28 1 15 10 12 ar 16 10 29 1 17 11 13 ar 18 11 30 1 19 12 23 ar 20 13 23 ar 21 13 31 1 22 14 15 1 23 14 16 1 24 14 32 1 25 14 33 1 26 15 18 1 27 15 34 1 28 15 35 1 29 16 24 1 30 16 36 1 31 16 37 1 32 17 21 1 33 17 38 1 34 17 39 1 35 17 1 1 36 18 21 1 37 18 43 1 38 19 22 am 39 19 24 1 40 19 40 1 41 20 24 1 42 22 23 1 43 24 41 1