@MOLECULE (2S)-2-amino-3-[4-(cyclohexylmethoxy)phenyl]propanoic acid 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.2695 0.4575 1.6758 N.3 1 UNL111111111 -0.6308 2 C 5.8951 -0.2989 0.0851 C.2 1 UNL111111111 0.6264 3 OXT 6.6840 0.6059 0.0905 O.2 1 UNL111111111 -0.4993 4 CA 4.4098 -0.2659 0.4058 C.3 1 UNL111111111 0.0024 5 C 3.6887 0.3797 -0.8037 C.3 1 UNL111111111 -0.3282 6 C 2.2115 0.3513 -0.5792 C.ar 1 UNL111111111 -0.0767 7 C 1.5543 1.4885 -0.0934 C.ar 1 UNL111111111 -0.1091 8 C 1.4874 -0.8129 -0.8334 C.ar 1 UNL111111111 -0.0926 9 C 0.1909 1.4617 0.1510 C.ar 1 UNL111111111 -0.2459 10 C 0.1155 -0.8639 -0.5958 C.ar 1 UNL111111111 -0.2952 11 C -0.5200 0.2752 -0.1011 C.ar 1 UNL111111111 0.2555 12 O -1.8370 0.3812 0.1954 O.3 1 UNL111111111 -0.3358 13 C -2.6653 -0.7635 -0.0355 C.3 1 UNL111111111 -0.0677 14 C -5.9670 1.2547 -0.2922 C.3 1 UNL111111111 -0.2635 15 C -4.5649 0.7652 -0.6740 C.3 1 UNL111111111 -0.2710 16 C -4.0640 -0.2617 0.3535 C.3 1 UNL111111111 -0.1135 17 C -5.0302 -1.4535 0.4405 C.3 1 UNL111111111 -0.2776 18 C -6.4353 -0.9633 0.8169 C.3 1 UNL111111111 -0.2603 19 C -6.9408 0.0728 -0.1961 C.3 1 UNL111111111 -0.2645 20 H1 4.6516 1.3916 1.6316 H 1 UNL111111111 0.2639 21 H2 3.3058 0.5022 1.9737 H 1 UNL111111111 0.2671 22 HA 4.0236 -1.3125 0.5617 H 1 UNL111111111 0.1831 23 H 4.0555 1.4145 -0.9624 H 1 UNL111111111 0.1643 24 H 3.9539 -0.1630 -1.7351 H 1 UNL111111111 0.1653 25 H 2.1171 2.4034 0.0906 H 1 UNL111111111 0.1526 26 H 1.9963 -1.6962 -1.2199 H 1 UNL111111111 0.1529 27 H -0.3375 2.3331 0.5303 H 1 UNL111111111 0.1740 28 H -0.4329 -1.7773 -0.7961 H 1 UNL111111111 0.1628 29 H -2.6038 -1.0581 -1.0958 H 1 UNL111111111 0.1306 30 H -2.3241 -1.5894 0.6112 H 1 UNL111111111 0.1290 31 H -5.9297 1.7946 0.6723 H 1 UNL111111111 0.1373 32 H -6.3291 1.9863 -1.0372 H 1 UNL111111111 0.1315 33 H -4.5809 0.3217 -1.6861 H 1 UNL111111111 0.1364 34 H -3.8608 1.6179 -0.7246 H 1 UNL111111111 0.1467 35 H -3.9989 0.2341 1.3537 H 1 UNL111111111 0.1538 36 H -5.0663 -1.9898 -0.5254 H 1 UNL111111111 0.1384 37 H -4.6743 -2.1850 1.1888 H 1 UNL111111111 0.1326 38 H -7.1332 -1.8188 0.8649 H 1 UNL111111111 0.1301 39 H -6.4217 -0.5229 1.8317 H 1 UNL111111111 0.1374 40 H -7.9451 0.4299 0.0955 H 1 UNL111111111 0.1298 41 H -7.0599 -0.3972 -1.1900 H 1 UNL111111111 0.1355 42 O 6.2575 -1.5532 -0.2840 O.3 1 UNL111111111 -0.5626 43 H 7.2182 -1.6473 -0.4938 H 1 UNL111111111 0.3545 @BOND 1 1 4 1 2 1 20 1 3 1 21 1 4 2 4 1 5 2 42 1 6 3 2 2 7 4 5 1 8 4 22 1 9 5 6 1 10 5 23 1 11 5 24 1 12 6 7 ar 13 6 8 ar 14 7 9 ar 15 7 25 1 16 8 10 ar 17 8 26 1 18 9 11 ar 19 9 27 1 20 10 11 ar 21 10 28 1 22 11 12 1 23 12 13 1 24 13 16 1 25 13 29 1 26 13 30 1 27 14 19 1 28 14 31 1 29 14 32 1 30 15 14 1 31 15 33 1 32 15 34 1 33 16 17 1 34 16 15 1 35 16 35 1 36 17 18 1 37 17 36 1 38 17 37 1 39 18 19 1 40 18 38 1 41 18 39 1 42 19 40 1 43 19 41 1 44 42 43 1