@MOLECULE 3-cyclohexyl-d-alanine 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 CG 0.9385 0.2945 -0.0581 C.3 1 PHE1111111111 0.1304 2 CD1 1.4274 -1.0315 0.5497 C.3 1 PHE1111111111 -0.5011 3 CE1 2.8490 -0.8683 1.1045 C.3 1 PHE1111111111 -0.3840 4 CZ 3.8105 -0.4120 -0.0006 C.3 1 PHE1111111111 -0.3689 5 CE2 3.3187 0.8972 -0.6318 C.3 1 PHE1111111111 -0.2577 6 CD2 1.8958 0.7316 -1.1820 C.3 1 PHE1111111111 -0.6009 7 N -1.5835 1.3867 1.2351 N.3 1 PHE1111111111 -1.0014 8 CA -1.5348 0.1126 0.5095 C.3 1 PHE1111111111 0.1877 9 CB -0.4881 0.1539 -0.6196 C.3 1 PHE1111111111 -0.6527 10 C -2.8933 -0.2195 -0.1041 C.2 1 PHE1111111111 0.2919 11 O -3.8787 0.4692 -0.1141 O.2 1 PHE1111111111 -0.3740 12 HG 0.9359 1.0781 0.7405 H 1 PHE1111111111 0.2074 13 HD11 0.7477 -1.3581 1.3573 H 1 PHE1111111111 0.1722 14 HD12 1.4087 -1.8311 -0.2129 H 1 PHE1111111111 0.2448 15 HE11 2.8478 -0.1334 1.9315 H 1 PHE1111111111 0.2071 16 HE12 3.1974 -1.8206 1.5425 H 1 PHE1111111111 0.1765 17 HZ1 4.8278 -0.2790 0.4095 H 1 PHE1111111111 0.1520 18 HZ2 3.8930 -1.1965 -0.7753 H 1 PHE1111111111 0.1992 19 HE21 3.3395 1.7083 0.1201 H 1 PHE1111111111 0.1743 20 HE22 4.0037 1.2112 -1.4397 H 1 PHE1111111111 0.1432 21 HD21 1.8910 -0.0141 -1.9978 H 1 PHE1111111111 0.2542 22 HD22 1.5534 1.6823 -1.6285 H 1 PHE1111111111 0.1999 23 H1 -1.6851 2.1785 0.6184 H 1 PHE1111111111 0.4086 24 H2 -2.3244 1.4106 1.9205 H 1 PHE1111111111 0.3710 25 HA -1.2690 -0.6971 1.2466 H 1 PHE1111111111 0.2377 26 HB1 -0.7044 0.9958 -1.3052 H 1 PHE1111111111 0.2638 27 HB2 -0.5637 -0.7666 -1.2332 H 1 PHE1111111111 0.2338 28 OXT -2.8903 -1.4554 -0.6569 O.3 1 PHE1111111111 -0.4831 29 HXT -3.7540 -1.7145 -1.0646 H 1 PHE1111111111 0.3680 @BOND 1 1 2 1 2 1 6 1 3 1 9 1 4 1 12 1 5 2 3 1 6 2 13 1 7 2 14 1 8 3 4 1 9 3 15 1 10 3 16 1 11 4 5 1 12 4 17 1 13 4 18 1 14 5 6 1 15 5 19 1 16 5 20 1 17 6 21 1 18 6 22 1 19 7 8 1 20 7 23 1 21 7 24 1 22 8 9 1 23 8 10 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 11 2 28 10 28 1 29 28 29 1