@MOLECULE 2-[3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl 2-fluoroacetate 45 44 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.5052 0.5614 -0.2853 C.2 1 UNL111111111 0.5656 2 C 6.8887 1.6591 0.6811 C.3 1 UNL111111111 -0.1461 3 F 8.0311 2.2220 0.2183 F 1 UNL111111111 -0.1493 4 O 5.3344 0.0190 0.1287 O.3 1 UNL111111111 -0.4631 5 O 7.0926 0.1985 -1.2639 O.2 1 UNL111111111 -0.4454 6 C 4.8167 -1.0666 -0.6604 C.3 1 UNL111111111 -0.0352 7 C 3.7228 -1.6744 0.2253 C.3 1 UNL111111111 -0.0861 8 N 2.5389 -0.8121 0.2411 N.am 1 UNL111111111 -0.6056 9 C 1.3109 -1.3114 -0.1410 C.2 1 UNL111111111 0.5852 10 C 0.1519 -0.3437 -0.1061 C.3 1 UNL111111111 -0.3974 11 O 1.1926 -2.4736 -0.4696 O.2 1 UNL111111111 -0.5240 12 H 6.0889 2.4366 0.7477 H 1 UNL111111111 0.1697 13 H 7.0581 1.2450 1.7062 H 1 UNL111111111 0.1720 14 H 4.4295 -0.6450 -1.6036 H 1 UNL111111111 0.1501 15 H 5.6254 -1.7870 -0.8819 H 1 UNL111111111 0.1506 16 H 3.4513 -2.6955 -0.1469 H 1 UNL111111111 0.1871 17 H 4.1017 -1.8052 1.2667 H 1 UNL111111111 0.1531 18 H 2.6853 0.1438 0.5111 H 1 UNL111111111 0.3145 19 C -0.8799 -0.8675 0.9141 C.3 1 UNL111111111 -0.0446 20 H 0.4533 0.6898 0.1292 H 1 UNL111111111 0.1537 21 H -0.3103 -0.3066 -1.1192 H 1 UNL111111111 0.1897 22 N -2.0369 0.0229 0.9592 N.am 1 UNL111111111 -0.5962 23 C -3.3066 -0.4562 0.7231 C.2 1 UNL111111111 0.5387 24 H -1.8750 1.0035 1.1302 H 1 UNL111111111 0.3228 25 C -4.4118 0.6069 0.7786 C.3 1 UNL111111111 0.0344 26 O -3.5245 -1.6349 0.5422 O.2 1 UNL111111111 -0.5247 27 O -3.8382 1.8723 0.5281 O.3 1 UNL111111111 -0.5622 28 C -5.5836 0.3243 -0.1900 C.3 1 UNL111111111 0.0378 29 C -6.4886 1.5816 -0.1901 C.3 1 UNL111111111 -0.0167 30 C -5.0728 0.0691 -1.6075 C.3 1 UNL111111111 -0.4602 31 C -6.3857 -0.8737 0.3127 C.3 1 UNL111111111 -0.4628 32 O -7.5177 1.3988 -1.1521 O.3 1 UNL111111111 -0.5448 33 H -1.2005 -1.9064 0.6344 H 1 UNL111111111 0.1956 34 H -0.4218 -0.9370 1.9282 H 1 UNL111111111 0.1387 35 H -4.7725 0.7023 1.8322 H 1 UNL111111111 0.1650 36 H -3.6864 2.0053 -0.4338 H 1 UNL111111111 0.3278 37 H -6.9077 1.7819 0.8052 H 1 UNL111111111 0.1125 38 H -5.9511 2.4780 -0.5505 H 1 UNL111111111 0.1346 39 H -4.4943 -0.8649 -1.6634 H 1 UNL111111111 0.1674 40 H -5.9199 -0.0355 -2.3058 H 1 UNL111111111 0.1757 41 H -4.4505 0.8831 -1.9873 H 1 UNL111111111 0.1304 42 H -6.7397 -0.7453 1.3392 H 1 UNL111111111 0.1391 43 H -7.2627 -1.0438 -0.3263 H 1 UNL111111111 0.1610 44 H -5.7854 -1.7978 0.2884 H 1 UNL111111111 0.1818 45 H -8.3933 1.4683 -0.7371 H 1 UNL111111111 0.3097 @BOND 1 1 4 1 2 1 2 1 3 2 12 1 4 2 13 1 5 3 2 1 6 5 1 2 7 6 4 1 8 6 14 1 9 6 15 1 10 7 6 1 11 7 16 1 12 7 17 1 13 8 7 1 14 8 18 1 15 9 8 am 16 9 10 1 17 10 19 1 18 10 20 1 19 10 21 1 20 11 9 2 21 19 22 1 22 19 33 1 23 19 34 1 24 22 23 am 25 22 24 1 26 23 25 1 27 23 26 2 28 25 27 1 29 25 28 1 30 25 35 1 31 27 36 1 32 28 29 1 33 28 30 1 34 28 31 1 35 29 32 1 36 29 37 1 37 29 38 1 38 30 39 1 39 30 40 1 40 30 41 1 41 31 42 1 42 31 43 1 43 31 44 1 44 32 45 1