@MOLECULE 2-(3-amino-4-cyclohexyl-2-hydroxy-butyl)-pent-4-ynoic acid 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.7426 0.3935 -1.9063 N.3 1 UNL111111111 -0.6514 2 C 0.8310 0.0185 -0.4793 C.3 1 UNL111111111 -0.0005 3 C 1.9444 0.7576 0.2857 C.3 1 UNL111111111 -0.3554 4 C 3.3504 0.3513 -0.1807 C.3 1 UNL111111111 -0.0975 5 C 4.3910 1.3179 0.4168 C.3 1 UNL111111111 -0.2796 6 C 3.6813 -1.0900 0.2471 C.3 1 UNL111111111 -0.2793 7 C 5.8022 0.9377 -0.0493 C.3 1 UNL111111111 -0.2628 8 C 5.0903 -1.4763 -0.2212 C.3 1 UNL111111111 -0.2641 9 C 6.1325 -0.5063 0.3505 C.3 1 UNL111111111 -0.2609 10 C -0.5470 0.3566 0.1656 C.3 1 UNL111111111 0.1552 11 O -0.4614 0.1641 1.5587 O.3 1 UNL111111111 -0.5625 12 C -1.6583 -0.5127 -0.4337 C.3 1 UNL111111111 -0.3362 13 C -3.0308 -0.0924 0.1072 C.3 1 UNL111111111 -0.1619 14 C -3.5939 1.1210 -0.6592 C.3 1 UNL111111111 -0.2444 15 C -4.6817 1.7319 0.0474 C.1 1 UNL111111111 -0.0724 16 C -5.6033 2.2499 0.6367 C.1 1 UNL111111111 -0.2149 17 C -3.9725 -1.2571 -0.0558 C.2 1 UNL111111111 0.6311 18 O -4.6765 -1.5472 -0.9849 O.2 1 UNL111111111 -0.5025 19 O -3.9287 -2.0490 1.0505 O.3 1 UNL111111111 -0.5728 20 H 0.7854 1.3920 -2.0368 H 1 UNL111111111 0.2492 21 H 1.4780 -0.0294 -2.4496 H 1 UNL111111111 0.2524 22 H 1.0015 -1.0855 -0.4199 H 1 UNL111111111 0.1412 23 H 1.8099 1.8501 0.1814 H 1 UNL111111111 0.1450 24 H 1.8356 0.5641 1.3734 H 1 UNL111111111 0.1719 25 H 3.4079 0.4182 -1.2919 H 1 UNL111111111 0.1251 26 H 4.1621 2.3571 0.1207 H 1 UNL111111111 0.1304 27 H 4.3382 1.2939 1.5211 H 1 UNL111111111 0.1426 28 H 3.6106 -1.1820 1.3469 H 1 UNL111111111 0.1421 29 H 2.9412 -1.7964 -0.1684 H 1 UNL111111111 0.1276 30 H 5.8837 1.0542 -1.1457 H 1 UNL111111111 0.1339 31 H 6.5438 1.6313 0.3874 H 1 UNL111111111 0.1327 32 H 5.1372 -1.4731 -1.3258 H 1 UNL111111111 0.1336 33 H 5.3227 -2.5107 0.0914 H 1 UNL111111111 0.1321 34 H 7.1418 -0.7787 -0.0072 H 1 UNL111111111 0.1303 35 H 6.1632 -0.5937 1.4527 H 1 UNL111111111 0.1373 36 H -0.7689 1.4439 0.0881 H 1 UNL111111111 0.1436 37 H -0.5042 -0.7821 1.7971 H 1 UNL111111111 0.3200 38 H -1.6260 -0.4399 -1.5442 H 1 UNL111111111 0.1900 39 H -1.4615 -1.5801 -0.2106 H 1 UNL111111111 0.1553 40 H -2.9345 0.1641 1.1993 H 1 UNL111111111 0.1982 41 H -2.7781 1.8639 -0.8340 H 1 UNL111111111 0.1721 42 H -3.9201 0.8036 -1.6831 H 1 UNL111111111 0.1855 43 H -6.3860 2.6883 1.1374 H 1 UNL111111111 0.1858 44 H -4.5342 -2.8279 1.0081 H 1 UNL111111111 0.3548 @BOND 1 1 2 1 2 1 20 1 3 1 21 1 4 2 3 1 5 2 10 1 6 2 22 1 7 3 4 1 8 3 23 1 9 3 24 1 10 4 5 1 11 4 6 1 12 4 25 1 13 5 7 1 14 5 26 1 15 5 27 1 16 6 8 1 17 6 28 1 18 6 29 1 19 7 9 1 20 7 30 1 21 7 31 1 22 8 9 1 23 8 32 1 24 8 33 1 25 9 34 1 26 9 35 1 27 10 11 1 28 10 12 1 29 10 36 1 30 11 37 1 31 12 13 1 32 12 38 1 33 12 39 1 34 13 14 1 35 13 17 1 36 13 40 1 37 14 15 1 38 14 41 1 39 14 42 1 40 15 16 3 41 16 43 1 42 17 18 2 43 17 19 1 44 19 44 1