@MOLECULE 5-acetamido-4-amino-6-[(2-phenylethyl)(propyl)carbamoyl]tetrahydro-2h-pyran-2-carboxylic acid 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.6312 2.9612 1.1827 C.2 1 UNL111111111 0.6075 2 O -2.4354 3.6447 0.6148 O.2 1 UNL111111111 -0.4730 3 O -0.7001 3.4982 2.0112 O.3 1 UNL111111111 -0.5586 4 C -1.4628 1.4511 1.1619 C.3 1 UNL111111111 0.0455 5 C -2.5408 0.8108 2.0281 C.3 1 UNL111111111 -0.3318 6 C -2.5800 -0.7164 1.8296 C.3 1 UNL111111111 0.0497 7 C -2.5300 -1.0862 0.3067 C.3 1 UNL111111111 0.0034 8 N -3.8545 -0.8540 -0.2783 N.am 1 UNL111111111 -0.6339 9 C -4.7441 -1.9012 -0.4456 C.2 1 UNL111111111 0.6134 10 O -4.4260 -3.0330 -0.1484 O.2 1 UNL111111111 -0.5304 11 C -6.0787 -1.5279 -1.0257 C.3 1 UNL111111111 -0.5304 12 C -1.5363 -0.2329 -0.5120 C.3 1 UNL111111111 -0.0060 13 O -1.6583 1.1369 -0.2127 O.3 1 UNL111111111 -0.3824 14 C -0.0837 -0.6964 -0.3622 C.2 1 UNL111111111 0.5287 15 O 0.2254 -1.5790 0.4234 O.2 1 UNL111111111 -0.5717 16 N 0.8749 -0.1313 -1.1571 N.am 1 UNL111111111 -0.4720 17 C 2.2713 -0.5452 -0.9635 C.3 1 UNL111111111 -0.0532 18 C 2.9332 0.2949 0.1503 C.3 1 UNL111111111 -0.3173 19 C 4.3407 -0.1723 0.3404 C.ar 1 UNL111111111 0.0087 20 C 5.4054 0.5540 -0.1949 C.ar 1 UNL111111111 -0.1786 21 C 4.5880 -1.3537 1.0441 C.ar 1 UNL111111111 -0.1701 22 C 6.7117 0.0978 -0.0294 C.ar 1 UNL111111111 -0.1367 23 C 5.8939 -1.8080 1.2048 C.ar 1 UNL111111111 -0.1322 24 C 6.9574 -1.0834 0.6676 C.ar 1 UNL111111111 -0.1624 25 C 0.6322 0.9425 -2.1243 C.3 1 UNL111111111 -0.0743 26 C 0.3679 0.3531 -3.5241 C.3 1 UNL111111111 -0.2720 27 C 0.0861 1.4763 -4.5164 C.3 1 UNL111111111 -0.4415 28 N -1.5129 -1.3367 2.6273 N.3 1 UNL111111111 -0.6469 29 H -0.7607 4.4811 2.1004 H 1 UNL111111111 0.3567 30 H -0.4342 1.1448 1.4707 H 1 UNL111111111 0.1718 31 H -2.3500 1.0293 3.1023 H 1 UNL111111111 0.1843 32 H -3.5343 1.2388 1.7926 H 1 UNL111111111 0.1567 33 H -3.5601 -1.0971 2.2337 H 1 UNL111111111 0.1548 34 H -2.2569 -2.1763 0.2092 H 1 UNL111111111 0.1951 35 H -4.1005 0.1093 -0.4444 H 1 UNL111111111 0.3223 36 H -6.7418 -2.4088 -1.0425 H 1 UNL111111111 0.1881 37 H -6.5869 -0.7492 -0.4444 H 1 UNL111111111 0.1712 38 H -5.9849 -1.1755 -2.0619 H 1 UNL111111111 0.1763 39 H -1.8259 -0.2471 -1.5979 H 1 UNL111111111 0.1785 40 H 2.3020 -1.6293 -0.6889 H 1 UNL111111111 0.1721 41 H 2.8289 -0.4400 -1.9186 H 1 UNL111111111 0.1417 42 H 2.8873 1.3722 -0.0980 H 1 UNL111111111 0.1515 43 H 2.3529 0.1863 1.0926 H 1 UNL111111111 0.1709 44 H 5.2193 1.4758 -0.7402 H 1 UNL111111111 0.1487 45 H 3.7570 -1.9190 1.4653 H 1 UNL111111111 0.1623 46 H 7.5409 0.6656 -0.4459 H 1 UNL111111111 0.1455 47 H 6.0848 -2.7297 1.7513 H 1 UNL111111111 0.1498 48 H 7.9772 -1.4389 0.7939 H 1 UNL111111111 0.1474 49 H 1.5163 1.6201 -2.1535 H 1 UNL111111111 0.1467 50 H -0.2209 1.5830 -1.8045 H 1 UNL111111111 0.1624 51 H -0.4823 -0.3539 -3.4900 H 1 UNL111111111 0.1430 52 H 1.2367 -0.2475 -3.8550 H 1 UNL111111111 0.1455 53 H -0.1123 1.0788 -5.5190 H 1 UNL111111111 0.1470 54 H -0.7903 2.0672 -4.2232 H 1 UNL111111111 0.1494 55 H 0.9342 2.1651 -4.6033 H 1 UNL111111111 0.1442 56 H -1.6741 -2.3253 2.7581 H 1 UNL111111111 0.2579 57 H -0.6058 -1.2308 2.1938 H 1 UNL111111111 0.2768 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 3 29 1 5 4 5 1 6 4 13 1 7 4 30 1 8 5 6 1 9 5 31 1 10 5 32 1 11 6 7 1 12 6 28 1 13 6 33 1 14 7 8 1 15 7 12 1 16 7 34 1 17 8 9 am 18 8 35 1 19 9 10 2 20 9 11 1 21 11 36 1 22 11 37 1 23 11 38 1 24 12 13 1 25 12 14 1 26 12 39 1 27 14 15 2 28 14 16 am 29 16 17 1 30 16 25 1 31 17 18 1 32 17 40 1 33 17 41 1 34 18 19 1 35 18 42 1 36 18 43 1 37 19 20 ar 38 19 21 ar 39 20 22 ar 40 20 44 1 41 21 23 ar 42 21 45 1 43 22 24 ar 44 22 46 1 45 23 24 ar 46 23 47 1 47 24 48 1 48 25 26 1 49 25 49 1 50 25 50 1 51 26 27 1 52 26 51 1 53 26 52 1 54 27 53 1 55 27 54 1 56 27 55 1 57 28 56 1 58 28 57 1