@MOLECULE (2R)-2-(carboxymethylamino)-3-cyclohexyl-propanoic acid 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.4343 -2.3930 0.0037 C.2 1 PHE111111111 0.6131 2 O -2.4914 -2.6395 -0.4975 O.2 1 PHE111111111 -0.4550 3 CA -0.6483 -1.0899 0.1446 C.3 1 PHE111111111 0.0015 4 CB 0.6977 -1.2446 -0.5871 C.3 1 PHE111111111 -0.3222 5 CG 1.6527 -0.0737 -0.3007 C.3 1 PHE111111111 -0.0939 6 CD1 2.1522 -0.1023 1.1547 C.3 1 PHE111111111 -0.2777 7 CE1 3.1013 1.0756 1.4110 C.3 1 PHE111111111 -0.2655 8 CZ 4.2941 1.0253 0.4477 C.3 1 PHE111111111 -0.2639 9 CE2 3.8116 1.0209 -1.0086 C.3 1 PHE111111111 -0.2636 10 CD2 2.8551 -0.1515 -1.2602 C.3 1 PHE111111111 -0.2780 11 N -1.4764 -0.0363 -0.4575 N.3 1 PHE111111111 -0.5350 12 C -2.2747 0.7090 0.5332 C.3 0 UNK0 -0.1748 13 C -2.6223 2.0640 -0.0289 C.2 0 UNK0 0.6322 14 O -3.7237 2.5506 0.5931 O.3 0 UNK0 -0.5578 15 O -2.0430 2.6951 -0.8718 O.2 0 UNK0 -0.5009 16 HA -0.4597 -0.9297 1.2427 H 1 PHE1 0.1574 17 HB1 1.1765 -2.2001 -0.2858 H 1 PHE1 0.1716 18 HB2 0.5221 -1.3337 -1.6787 H 1 PHE1 0.1617 19 HG 1.1247 0.8937 -0.4782 H 1 PHE1 0.1367 20 HD11 1.3043 -0.0598 1.8603 H 1 PHE1 0.1258 21 HD12 2.6713 -1.0572 1.3597 H 1 PHE1 0.1424 22 HE11 2.5598 2.0325 1.2905 H 1 PHE1 0.1369 23 HE12 3.4570 1.0557 2.4572 H 1 PHE1 0.1307 24 HZ1 4.9614 1.8885 0.6239 H 1 PHE1 0.1311 25 HZ2 4.9018 0.1233 0.6471 H 1 PHE1 0.1359 26 HE21 3.3067 1.9774 -1.2418 H 1 PHE1 0.1387 27 HE22 4.6762 0.9580 -1.6945 H 1 PHE1 0.1324 28 HD21 3.3884 -1.1104 -1.1245 H 1 PHE1 0.1403 29 HD22 2.5096 -0.1366 -2.3100 H 1 PHE1 0.1354 30 H -0.9470 0.5853 -1.0721 H 1 PHE1 0.2955 31 H -3.2099 0.1167 0.7243 H 0 UNK0 0.1975 32 H -1.7749 0.8454 1.5212 H 0 UNK0 0.1558 33 H -4.0128 3.4367 0.2596 H 0 UNK0 0.3602 34 OXT -0.7216 -3.3824 0.6248 O.3 1 PHE1 -0.5996 35 HXT -1.1514 -4.2670 0.5880 H 1 PHE1 0.3552 @BOND 1 1 2 2 2 1 3 1 3 1 34 1 4 3 4 1 5 3 11 1 6 3 16 1 7 4 5 1 8 4 17 1 9 4 18 1 10 5 6 1 11 5 10 1 12 5 19 1 13 6 7 1 14 6 20 1 15 6 21 1 16 7 8 1 17 7 22 1 18 7 23 1 19 8 9 1 20 8 24 1 21 8 25 1 22 9 10 1 23 9 26 1 24 9 27 1 25 10 28 1 26 10 29 1 27 11 12 1 28 11 30 1 29 12 13 1 30 12 31 1 31 12 32 1 32 13 14 1 33 13 15 2 34 14 33 1 35 34 35 1