ZS8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CK1 | CI1 | sing | 1.47Å | 1.32Å | |
| CI1 | CT1 | trip | 1.17Å | 1.13Å | |
| CT1 | CE1 | sing | 1.47Å | 1.33Å | |
| CE1 | CZ1 | sing | 1.53Å | 1.49Å | |
| CZ1 | CD1 | sing | 1.53Å | 1.46Å | |
| CD1 | CG1 | sing | 1.53Å | 1.46Å | |
| CG1 | CB1 | sing | 1.53Å | 1.50Å | |
| CB1 | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.35Å | |
| CA | N | sing | 1.47Å | 1.42Å | |
| CA | CB2 | sing | 1.53Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.29Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB2 | H7 | sing | 1.09Å | 1.10Å | |
| CB2 | H8 | sing | 1.09Å | 1.10Å | |
| CB2 | H9 | sing | 1.09Å | 1.10Å | |
| CB1 | H10 | sing | 1.09Å | 1.10Å | |
| CB1 | H11 | sing | 1.09Å | 1.10Å | |
| CG1 | H12 | sing | 1.09Å | 1.10Å | |
| CG1 | H13 | sing | 1.09Å | 1.10Å | |
| CD1 | H14 | sing | 1.09Å | 1.10Å | |
| CD1 | H15 | sing | 1.09Å | 1.10Å | |
| CZ1 | H16 | sing | 1.09Å | 1.10Å | |
| CZ1 | H17 | sing | 1.09Å | 1.10Å | |
| CE1 | H18 | sing | 1.09Å | 1.10Å | |
| CE1 | H19 | sing | 1.09Å | 1.10Å | |
| CK1 | H20 | sing | 1.09Å | 1.10Å | |
| CK1 | H21 | sing | 1.09Å | 1.10Å | |
| CK1 | H22 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 20.28Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CK1 | CI1 | CT1 | 178.6° | 180.0° |
| CI1 | CK1 | H20 | 109.5° | 109.5° |
| CI1 | CK1 | H21 | 109.4° | 109.4° |
| CI1 | CK1 | H22 | 109.5° | 109.4° |
| CI1 | CT1 | CE1 | 179.4° | 180.0° |
| CT1 | CE1 | CZ1 | 110.1° | 109.5° |
| CT1 | CE1 | H18 | 109.3° | 109.4° |
| CT1 | CE1 | H19 | 109.3° | 109.4° |
| CE1 | CZ1 | CD1 | 108.7° | 109.5° |
| CE1 | CZ1 | H16 | 109.7° | 109.5° |
| CE1 | CZ1 | H17 | 109.7° | 109.5° |
| CZ1 | CE1 | H18 | 109.3° | 109.5° |
| CZ1 | CE1 | H19 | 109.3° | 109.5° |
| CZ1 | CD1 | CG1 | 111.1° | 109.5° |
| CZ1 | CD1 | H14 | 109.0° | 109.5° |
| CZ1 | CD1 | H15 | 109.1° | 109.4° |
| CD1 | CZ1 | H16 | 109.7° | 109.5° |
| CD1 | CZ1 | H17 | 109.7° | 109.4° |
| CD1 | CG1 | CB1 | 109.7° | 109.5° |
| CD1 | CG1 | H12 | 109.4° | 109.5° |
| CD1 | CG1 | H13 | 109.4° | 109.4° |
| CG1 | CD1 | H14 | 109.1° | 109.5° |
| CG1 | CD1 | H15 | 109.1° | 109.5° |
| CG1 | CB1 | CA | 115.0° | 109.4° |
| CG1 | CB1 | H10 | 108.1° | 109.5° |
| CG1 | CB1 | H11 | 108.0° | 109.5° |
| CB1 | CG1 | H12 | 109.4° | 109.6° |
| CB1 | CG1 | H13 | 109.4° | 109.5° |
| CB1 | CA | C | 111.3° | 109.4° |
| CB1 | CA | N | 105.5° | 109.4° |
| CB1 | CA | CB2 | 107.9° | 109.5° |
| CA | CB1 | H10 | 108.0° | 109.5° |
| CA | CB1 | H11 | 108.1° | 109.4° |
| C | CA | N | 111.5° | 109.5° |
| C | CA | CB2 | 113.0° | 109.5° |
| CA | C | O | 118.7° | 120.0° |
| CA | C | OXT | 137.9° | 120.0° |
| N | CA | CB2 | 107.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | CB2 | H7 | 109.5° | 109.5° |
| CA | CB2 | H8 | 109.5° | 109.5° |
| CA | CB2 | H9 | 109.4° | 109.5° |
| O | C | OXT | 51.9° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| H7 | CB2 | H8 | 109.4° | 109.4° |
| H7 | CB2 | H9 | 109.5° | 109.4° |
| H8 | CB2 | H9 | 109.5° | 109.4° |
| H10 | CB1 | H11 | 109.5° | 109.5° |
| H12 | CG1 | H13 | 109.5° | 109.4° |
| H14 | CD1 | H15 | 109.4° | 109.5° |
| H16 | CZ1 | H17 | 109.5° | 109.4° |
| H18 | CE1 | H19 | 109.5° | 109.4° |
| H20 | CK1 | H21 | 109.5° | 109.5° |
| H20 | CK1 | H22 | 109.5° | 109.5° |
| H21 | CK1 | H22 | 109.5° | 109.4° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CK1 | CI1 | CT1 | CE1 | 9.3° | 180.0° |
| CI1 | CK1 | H20 | H21 | 120.0° | 120.0° |
| CI1 | CK1 | H20 | H22 | 120.0° | 120.0° |
| CI1 | CK1 | H21 | H22 | 120.0° | 119.9° |
| CI1 | CT1 | CE1 | CZ1 | 58.2° | 2.6° |
| CI1 | CT1 | CE1 | H18 | 61.9° | 122.6° |
| CI1 | CT1 | CE1 | H19 | 178.3° | 117.5° |
| CT1 | CI1 | CK1 | H20 | 180.0° | 2.6° |
| CT1 | CI1 | CK1 | H21 | 60.0° | 122.6° |
| CT1 | CI1 | CK1 | H22 | 60.0° | 117.5° |
| CT1 | CE1 | CZ1 | H18 | 120.1° | 120.0° |
| CT1 | CE1 | CZ1 | H19 | 120.1° | 120.0° |
| CT1 | CE1 | CZ1 | CD1 | 140.0° | 180.0° |
| CT1 | CE1 | CZ1 | H16 | 100.1° | 60.0° |
| CT1 | CE1 | CZ1 | H17 | 20.2° | 60.0° |
| CT1 | CE1 | H18 | H19 | 119.7° | 119.9° |
| CE1 | CZ1 | CD1 | H16 | 119.9° | 120.1° |
| CE1 | CZ1 | CD1 | H17 | 119.9° | 120.0° |
| CE1 | CZ1 | CD1 | CG1 | 148.5° | 180.0° |
| CE1 | CZ1 | CD1 | H14 | 91.2° | 59.9° |
| CE1 | CZ1 | CD1 | H15 | 28.2° | 60.0° |
| CE1 | CZ1 | H16 | H17 | 120.4° | 120.0° |
| CZ1 | CE1 | H18 | H19 | 119.7° | 120.0° |
| CZ1 | CD1 | CG1 | H14 | 120.3° | 120.1° |
| CZ1 | CD1 | CG1 | H15 | 120.3° | 119.9° |
| CZ1 | CD1 | CG1 | CB1 | 73.0° | 180.0° |
| CZ1 | CD1 | CG1 | H12 | 166.9° | 59.9° |
| CZ1 | CD1 | CG1 | H13 | 47.0° | 60.0° |
| CZ1 | CD1 | H14 | H15 | 119.2° | 119.9° |
| CD1 | CZ1 | H16 | H17 | 120.4° | 119.9° |
| CD1 | CZ1 | CE1 | H18 | 20.0° | 60.0° |
| CD1 | CZ1 | CE1 | H19 | 99.9° | 60.0° |
| CD1 | CG1 | CB1 | H12 | 120.0° | 120.1° |
| CD1 | CG1 | CB1 | H13 | 120.0° | 120.0° |
| CD1 | CG1 | CB1 | CA | 148.7° | 180.0° |
| CD1 | CG1 | CB1 | H10 | 27.9° | 60.0° |
| CD1 | CG1 | CB1 | H11 | 90.5° | 60.1° |
| CD1 | CG1 | H12 | H13 | 119.9° | 119.9° |
| CG1 | CD1 | H14 | H15 | 119.2° | 120.0° |
| CG1 | CD1 | CZ1 | H16 | 28.6° | 59.9° |
| CG1 | CD1 | CZ1 | H17 | 91.7° | 60.0° |
| CG1 | CB1 | CA | H10 | 120.8° | 120.1° |
| CG1 | CB1 | CA | H11 | 120.8° | 119.9° |
| CG1 | CB1 | CA | C | 46.0° | 175.0° |
| CG1 | CB1 | CA | N | 167.1° | 55.1° |
| CG1 | CB1 | CA | CB2 | 78.5° | 65.0° |
| CG1 | CB1 | H10 | H11 | 117.5° | 120.1° |
| CB1 | CG1 | H12 | H13 | 119.9° | 120.0° |
| CB1 | CG1 | CD1 | H14 | 47.2° | 59.9° |
| CB1 | CG1 | CD1 | H15 | 166.7° | 60.1° |
| CB1 | CA | C | N | 117.5° | 119.9° |
| CB1 | CA | C | CB2 | 121.5° | 120.0° |
| CB1 | CA | N | CB2 | 114.8° | 120.0° |
| CB1 | CA | C | O | 86.4° | 25.1° |
| CB1 | CA | N | H | 180.0° | 60.0° |
| CB1 | CA | N | H2 | 60.0° | 64.0° |
| CB1 | CA | CB2 | H7 | 180.0° | 180.0° |
| CB1 | CA | CB2 | H8 | 60.0° | 60.0° |
| CB1 | CA | CB2 | H9 | 60.0° | 60.0° |
| CA | CB1 | H10 | H11 | 117.5° | 119.9° |
| CA | CB1 | CG1 | H12 | 91.3° | 59.9° |
| CA | CB1 | CG1 | H13 | 28.7° | 60.0° |
| CB1 | CA | C | OXT | 150.1° | 155.0° |
| C | CA | N | CB2 | 124.2° | 120.0° |
| CA | C | O | OXT | 130.2° | 179.9° |
| C | CA | N | H | 59.1° | 59.9° |
| C | CA | N | H2 | 61.0° | 176.1° |
| C | CA | CB2 | H7 | 56.6° | 60.0° |
| C | CA | CB2 | H8 | 176.6° | 180.0° |
| C | CA | CB2 | H9 | 63.4° | 60.0° |
| C | CA | CB1 | H10 | 74.8° | 54.9° |
| C | CA | CB1 | H11 | 166.8° | 65.1° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| N | CA | C | O | 156.1° | 145.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB2 | H7 | 66.7° | 60.0° |
| N | CA | CB2 | H8 | 53.3° | 60.0° |
| N | CA | CB2 | H9 | 173.2° | 180.0° |
| N | CA | CB1 | H10 | 46.3° | 65.0° |
| N | CA | CB1 | H11 | 72.1° | 175.0° |
| N | CA | C | OXT | 92.4° | 35.1° |
| CB2 | CA | C | O | 35.1° | 95.0° |
| CB2 | CA | N | H | 65.1° | 180.0° |
| CB2 | CA | N | H2 | 174.8° | 56.0° |
| CA | CB2 | H7 | H8 | 120.0° | 120.0° |
| CA | CB2 | H7 | H9 | 120.0° | 120.1° |
| CA | CB2 | H8 | H9 | 120.0° | 120.0° |
| CB2 | CA | CB1 | H10 | 160.7° | 175.0° |
| CB2 | CA | CB1 | H11 | 42.3° | 55.0° |
| CB2 | CA | C | OXT | 28.6° | 85.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| H7 | CB2 | H8 | H9 | 120.0° | 119.9° |
| H10 | CB1 | CG1 | H12 | 148.0° | 180.0° |
| H10 | CB1 | CG1 | H13 | 92.1° | 60.0° |
| H11 | CB1 | CG1 | H12 | 29.6° | 59.9° |
| H11 | CB1 | CG1 | H13 | 149.5° | 179.9° |
| H12 | CG1 | CD1 | H14 | 72.8° | 180.0° |
| H12 | CG1 | CD1 | H15 | 46.7° | 60.0° |
| H13 | CG1 | CD1 | H14 | 167.3° | 60.1° |
| H13 | CG1 | CD1 | H15 | 73.3° | 179.9° |
| H14 | CD1 | CZ1 | H16 | 148.9° | 180.0° |
| H14 | CD1 | CZ1 | H17 | 28.6° | 60.1° |
| H15 | CD1 | CZ1 | H16 | 91.7° | 60.1° |
| H15 | CD1 | CZ1 | H17 | 148.1° | 180.0° |
| H16 | CZ1 | CE1 | H18 | 139.8° | 180.0° |
| H16 | CZ1 | CE1 | H19 | 20.0° | 60.0° |
| H17 | CZ1 | CE1 | H18 | 99.9° | 60.0° |
| H17 | CZ1 | CE1 | H19 | 140.3° | 180.0° |
| H20 | CK1 | H21 | H22 | 120.0° | 120.0° |
