@MOLECULE isopropyl (2r,3s)-3-amino-4-cyclohexyl-2-hydroxybutanoate 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.1280 0.7110 1.5985 N.3 1 UNL1111111111 -0.6503 2 C -0.0052 0.4454 0.1554 C.3 1 UNL1111111111 0.0270 3 C -1.3303 0.9427 -0.4567 C.3 1 UNL1111111111 -0.3476 4 C -2.5586 0.2143 0.1100 C.3 1 UNL1111111111 -0.0916 5 C -2.6248 -1.2353 -0.4036 C.3 1 UNL1111111111 -0.2789 6 C -3.8357 0.9708 -0.3041 C.3 1 UNL1111111111 -0.2821 7 C -3.8709 -1.9440 0.1429 C.3 1 UNL1111111111 -0.2670 8 C -5.0821 0.2636 0.2423 C.3 1 UNL1111111111 -0.2632 9 C -5.1421 -1.1850 -0.2595 C.3 1 UNL1111111111 -0.2625 10 C 1.1651 1.1632 -0.5713 C.3 1 UNL1111111111 0.0631 11 O 1.0314 2.5545 -0.4523 O.3 1 UNL1111111111 -0.5316 12 C 2.5040 0.7230 0.0048 C.2 1 UNL1111111111 0.5797 13 O 3.2808 1.4273 0.5963 O.2 1 UNL1111111111 -0.5133 14 O 2.7161 -0.5772 -0.2742 O.3 1 UNL1111111111 -0.4505 15 C 3.9433 -1.1715 0.1986 C.3 1 UNL1111111111 0.1913 16 C 3.5706 -2.6349 0.4100 C.3 1 UNL1111111111 -0.4780 17 C 4.9906 -0.9745 -0.8902 C.3 1 UNL1111111111 -0.4950 18 H -0.1013 1.6654 1.8296 H 1 UNL1111111111 0.2565 19 H -0.4459 0.0954 2.1516 H 1 UNL1111111111 0.2552 20 H 0.1063 -0.6598 -0.0061 H 1 UNL1111111111 0.1547 21 H -1.4205 2.0354 -0.2869 H 1 UNL1111111111 0.1633 22 H -1.3021 0.8297 -1.5567 H 1 UNL1111111111 0.1521 23 H -2.5058 0.1987 1.2233 H 1 UNL1111111111 0.1270 24 H -2.6421 -1.2443 -1.5090 H 1 UNL1111111111 0.1397 25 H -1.7165 -1.7898 -0.1070 H 1 UNL1111111111 0.1313 26 H -3.7999 2.0117 0.0651 H 1 UNL1111111111 0.1328 27 H -3.8939 1.0380 -1.4062 H 1 UNL1111111111 0.1403 28 H -3.9123 -2.9817 -0.2349 H 1 UNL1111111111 0.1305 29 H -3.8114 -2.0224 1.2441 H 1 UNL1111111111 0.1343 30 H -5.0743 0.2805 1.3478 H 1 UNL1111111111 0.1349 31 H -5.9926 0.8102 -0.0645 H 1 UNL1111111111 0.1321 32 H -5.2571 -1.1986 -1.3593 H 1 UNL1111111111 0.1361 33 H -6.0347 -1.6926 0.1483 H 1 UNL1111111111 0.1298 34 H 1.1261 0.9821 -1.6720 H 1 UNL1111111111 0.1663 35 H 1.5197 2.8880 0.3398 H 1 UNL1111111111 0.3411 36 H 4.2394 -0.6779 1.1524 H 1 UNL1111111111 0.1433 37 H 3.1670 -3.0814 -0.5075 H 1 UNL1111111111 0.1597 38 H 4.4413 -3.2227 0.7185 H 1 UNL1111111111 0.1517 39 H 2.8000 -2.7366 1.1856 H 1 UNL1111111111 0.1611 40 H 4.6332 -1.3387 -1.8608 H 1 UNL1111111111 0.1584 41 H 5.2371 0.0893 -1.0104 H 1 UNL1111111111 0.1651 42 H 5.9186 -1.5048 -0.6533 H 1 UNL1111111111 0.1534 @BOND 1 1 2 1 2 1 18 1 3 1 19 1 4 2 3 1 5 2 10 1 6 2 20 1 7 3 4 1 8 3 21 1 9 3 22 1 10 4 5 1 11 4 6 1 12 4 23 1 13 5 7 1 14 5 24 1 15 5 25 1 16 6 8 1 17 6 26 1 18 6 27 1 19 7 9 1 20 7 28 1 21 7 29 1 22 8 9 1 23 8 30 1 24 8 31 1 25 9 32 1 26 9 33 1 27 10 11 1 28 10 12 1 29 10 34 1 30 11 35 1 31 12 13 2 32 12 14 1 33 14 15 1 34 15 16 1 35 15 17 1 36 15 36 1 37 16 37 1 38 16 38 1 39 16 39 1 40 17 40 1 41 17 41 1 42 17 42 1