E8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | N3 | sing | 1.42Å | 1.40Å | |
| N3 | C14 | sing | 1.35Å | 1.35Å | |
| O2 | C14 | doub | 1.21Å | 1.21Å | |
| C14 | C9 | sing | 1.51Å | 1.50Å | |
| O | C8 | doub | 1.22Å | 1.23Å | |
| CA | N | sing | 1.46Å | 1.55Å | |
| CA | CB | sing | 1.51Å | 1.47Å | |
| C9 | N2 | sing | 1.46Å | 1.37Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | N | sing | 1.35Å | 1.40Å | |
| C8 | N2 | sing | 1.35Å | 1.40Å | |
| CG2 | CB | doub | 1.38Å | 1.40Å | Aromatic |
| CG2 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| CB | CG1 | sing | 1.38Å | 1.45Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| CG1 | F1 | sing | 1.35Å | 1.39Å | |
| CG1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | F2 | sing | 1.35Å | 1.32Å | |
| CD1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| CG2 | H3 | sing | 1.08Å | 1.08Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CA | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| O3 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | N3 | C14 | 118.3° | 119.9° |
| O3 | N3 | H18 | 120.8° | 120.0° |
| N3 | O3 | H19 | 109.5° | 114.0° |
| N3 | C14 | O2 | 120.3° | 120.1° |
| N3 | C14 | C9 | 114.5° | 120.0° |
| C14 | N3 | H18 | 120.9° | 120.0° |
| O2 | C14 | C9 | 124.9° | 120.0° |
| C14 | C9 | N2 | 113.3° | 109.4° |
| C14 | C9 | C10 | 107.5° | 109.4° |
| C14 | C9 | H8 | 111.1° | 109.5° |
| O | C8 | N | 116.7° | 120.0° |
| O | C8 | N2 | 122.7° | 120.0° |
| N | CA | CB | 118.6° | 109.5° |
| CA | N | C8 | 121.0° | 120.0° |
| N | CA | H4 | 107.1° | 109.5° |
| N | CA | H5 | 107.1° | 109.5° |
| CA | N | H6 | 119.5° | 120.0° |
| CA | CB | CG2 | 111.7° | 120.0° |
| CA | CB | CG1 | 128.5° | 120.0° |
| CB | CA | H4 | 107.1° | 109.4° |
| CB | CA | H5 | 107.1° | 109.5° |
| N2 | C9 | C10 | 100.5° | 109.5° |
| C9 | N2 | C8 | 112.8° | 120.0° |
| C9 | N2 | H7 | 123.6° | 120.0° |
| N2 | C9 | H8 | 113.2° | 109.5° |
| C9 | C10 | C11 | 118.2° | 109.4° |
| C10 | C9 | H8 | 110.5° | 109.5° |
| C9 | C10 | H9 | 107.2° | 109.5° |
| C9 | C10 | H10 | 107.3° | 109.5° |
| N | C8 | N2 | 120.6° | 120.0° |
| C8 | N | H6 | 119.5° | 120.0° |
| C8 | N2 | H7 | 123.6° | 120.0° |
| CB | CG2 | C4 | 121.9° | 120.0° |
| CG2 | CB | CG1 | 119.7° | 120.0° |
| CB | CG2 | H3 | 119.1° | 120.0° |
| CG2 | C4 | C3 | 116.0° | 120.1° |
| CG2 | C4 | H2 | 122.0° | 120.0° |
| C4 | CG2 | H3 | 119.0° | 120.0° |
| CB | CG1 | F1 | 128.8° | 120.0° |
| CB | CG1 | CD1 | 118.1° | 120.0° |
| C10 | C11 | C12 | 115.5° | 109.5° |
| C10 | C11 | C13 | 111.8° | 109.4° |
| C11 | C10 | H9 | 107.2° | 109.5° |
| C11 | C10 | H10 | 107.2° | 109.5° |
| C10 | C11 | H11 | 110.1° | 109.5° |
| C12 | C11 | C13 | 101.1° | 109.4° |
| C12 | C11 | H11 | 109.1° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.4° |
| C13 | C11 | H11 | 109.0° | 109.5° |
| C11 | C13 | H15 | 109.5° | 109.5° |
| C11 | C13 | H16 | 109.5° | 109.5° |
| C11 | C13 | H17 | 109.4° | 109.5° |
| C4 | C3 | CD1 | 125.4° | 119.9° |
| C4 | C3 | F2 | 119.0° | 120.0° |
| C3 | C4 | H2 | 122.0° | 120.0° |
| F1 | CG1 | CD1 | 113.1° | 120.0° |
| CG1 | CD1 | C3 | 118.8° | 120.0° |
| CG1 | CD1 | H1 | 120.6° | 120.0° |
| CD1 | C3 | F2 | 115.5° | 120.1° |
| C3 | CD1 | H1 | 120.6° | 120.0° |
| H4 | CA | H5 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.4° | 109.4° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| H15 | C13 | H17 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | N3 | C14 | H18 | 180.0° | 180.0° |
| O3 | N3 | C14 | O2 | 1.2° | 0.0° |
| O3 | N3 | C14 | C9 | 173.9° | 180.0° |
| N3 | C14 | O2 | C9 | 174.6° | 180.0° |
| N3 | C14 | C9 | N2 | 144.8° | 180.0° |
| N3 | C14 | C9 | C10 | 105.1° | 60.0° |
| N3 | C14 | C9 | H8 | 15.9° | 60.0° |
| C14 | N3 | O3 | H19 | 0.6° | 179.9° |
| O2 | C14 | C9 | N2 | 40.4° | 0.0° |
| O2 | C14 | C9 | C10 | 69.7° | 120.0° |
| O2 | C14 | C9 | H8 | 169.2° | 120.0° |
| O2 | C14 | N3 | H18 | 178.7° | 180.0° |
| C14 | C9 | N2 | C10 | 114.4° | 120.0° |
| C14 | C9 | N2 | H8 | 127.7° | 120.0° |
| C14 | C9 | C10 | H8 | 121.4° | 120.0° |
| C14 | C9 | N2 | C8 | 108.5° | 85.0° |
| C14 | C9 | C10 | C11 | 79.5° | 175.3° |
| C14 | C9 | N2 | H7 | 71.5° | 95.1° |
| C14 | C9 | C10 | H9 | 41.7° | 55.3° |
| C14 | C9 | C10 | H10 | 159.3° | 64.7° |
| C9 | C14 | N3 | H18 | 6.1° | 0.0° |
| O | C8 | N | CA | 0.2° | 0.1° |
| O | C8 | N2 | C9 | 6.3° | 0.0° |
| O | C8 | N | N2 | 179.8° | 180.0° |
| O | C8 | N | H6 | 179.8° | 179.9° |
| O | C8 | N2 | H7 | 173.7° | 179.9° |
| N | CA | CB | H4 | 121.3° | 120.0° |
| N | CA | CB | H5 | 121.3° | 120.1° |
| CA | N | C8 | H6 | 180.0° | 180.0° |
| CA | N | C8 | N2 | 179.9° | 180.0° |
| N | CA | CB | CG2 | 143.3° | 105.0° |
| N | CA | CB | CG1 | 33.2° | 75.5° |
| N | CA | H4 | H5 | 115.9° | 120.0° |
| CB | CA | N | C8 | 107.2° | 180.0° |
| CA | CB | CG2 | CG1 | 176.9° | 179.5° |
| CA | CB | CG2 | C4 | 176.2° | 179.9° |
| CA | CB | CG1 | F1 | 2.3° | 0.2° |
| CA | CB | CG1 | CD1 | 178.2° | 180.0° |
| CA | CB | CG2 | H3 | 3.8° | 0.5° |
| CB | CA | H4 | H5 | 115.9° | 120.0° |
| CB | CA | N | H6 | 72.8° | 0.0° |
| N2 | C9 | C10 | H8 | 119.9° | 120.1° |
| C9 | N2 | C8 | N | 173.5° | 179.9° |
| C9 | N2 | C8 | H7 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 161.8° | 64.7° |
| N2 | C9 | C10 | H9 | 77.0° | 175.3° |
| N2 | C9 | C10 | H10 | 40.6° | 55.3° |
| C10 | C9 | N2 | C8 | 137.1° | 155.0° |
| C9 | C10 | C11 | H9 | 121.2° | 120.0° |
| C9 | C10 | C11 | H10 | 121.2° | 120.0° |
| C9 | C10 | C11 | C12 | 75.5° | 65.9° |
| C9 | C10 | C11 | C13 | 169.7° | 174.2° |
| C10 | C9 | N2 | H7 | 42.9° | 24.9° |
| C9 | C10 | H9 | H10 | 116.1° | 120.0° |
| C9 | C10 | C11 | H11 | 48.5° | 54.1° |
| C8 | N | CA | H4 | 131.5° | 60.0° |
| C8 | N | CA | H5 | 14.1° | 59.9° |
| N | C8 | N2 | H7 | 6.5° | 0.0° |
| N2 | C8 | N | H6 | 0.1° | 0.0° |
| C8 | N2 | C9 | H8 | 19.2° | 35.0° |
| CB | CG2 | C4 | H3 | 180.0° | 179.4° |
| CB | CG2 | C4 | C3 | 2.5° | 0.3° |
| CG2 | CB | CG1 | F1 | 178.6° | 179.7° |
| CG2 | CB | CG1 | CD1 | 1.9° | 0.5° |
| CB | CG2 | C4 | H2 | 177.5° | 179.7° |
| CG2 | CB | CA | H4 | 95.4° | 135.0° |
| CG2 | CB | CA | H5 | 22.0° | 15.1° |
| C4 | CG2 | CB | CG1 | 0.7° | 0.5° |
| CG2 | C4 | C3 | H2 | 180.0° | 180.0° |
| CG2 | C4 | C3 | CD1 | 1.9° | 0.0° |
| CG2 | C4 | C3 | F2 | 175.5° | 180.0° |
| CB | CG1 | F1 | CD1 | 179.5° | 179.8° |
| CB | CG1 | CD1 | C3 | 2.5° | 0.3° |
| CB | CG1 | CD1 | H1 | 177.5° | 179.8° |
| CG1 | CB | CG2 | H3 | 179.2° | 180.0° |
| CG1 | CB | CA | H4 | 88.0° | 44.5° |
| CG1 | CB | CA | H5 | 154.5° | 164.4° |
| C10 | C11 | C12 | C13 | 120.8° | 119.9° |
| C10 | C11 | C12 | H11 | 124.5° | 120.1° |
| C10 | C11 | C13 | H11 | 121.8° | 120.0° |
| C11 | C10 | C9 | H8 | 41.9° | 55.4° |
| C11 | C10 | H9 | H10 | 116.0° | 120.0° |
| C10 | C11 | C12 | H12 | 180.0° | 60.0° |
| C10 | C11 | C12 | H13 | 60.0° | 180.0° |
| C10 | C11 | C12 | H14 | 60.0° | 60.0° |
| C10 | C11 | C13 | H15 | 180.0° | 60.4° |
| C10 | C11 | C13 | H16 | 60.0° | 179.6° |
| C10 | C11 | C13 | H17 | 60.0° | 59.6° |
| C12 | C11 | C13 | H11 | 114.8° | 120.0° |
| C12 | C11 | C10 | H9 | 163.3° | 54.1° |
| C12 | C11 | C10 | H10 | 45.7° | 174.1° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C12 | C11 | C13 | H15 | 56.6° | 179.6° |
| C12 | C11 | C13 | H16 | 176.6° | 59.7° |
| C12 | C11 | C13 | H17 | 63.4° | 60.4° |
| C13 | C11 | C10 | H9 | 48.5° | 65.9° |
| C13 | C11 | C10 | H10 | 69.0° | 54.2° |
| C13 | C11 | C12 | H12 | 59.2° | 59.9° |
| C13 | C11 | C12 | H13 | 60.8° | 60.0° |
| C13 | C11 | C12 | H14 | 179.3° | 180.0° |
| C11 | C13 | H15 | H16 | 120.0° | 120.0° |
| C11 | C13 | H15 | H17 | 120.0° | 120.0° |
| C11 | C13 | H16 | H17 | 120.0° | 120.0° |
| C4 | C3 | CD1 | CG1 | 0.7° | 0.0° |
| C4 | C3 | CD1 | F2 | 177.4° | 180.0° |
| C4 | C3 | CD1 | H1 | 179.3° | 179.9° |
| C3 | C4 | CG2 | H3 | 177.5° | 179.7° |
| F1 | CG1 | CD1 | C3 | 177.9° | 180.0° |
| F1 | CG1 | CD1 | H1 | 2.1° | 0.0° |
| CG1 | CD1 | C3 | H1 | 180.0° | 179.9° |
| CG1 | CD1 | C3 | F2 | 178.1° | 180.0° |
| CD1 | C3 | C4 | H2 | 178.1° | 180.0° |
| F2 | C3 | CD1 | H1 | 1.9° | 0.1° |
| F2 | C3 | C4 | H2 | 4.6° | 0.0° |
| H2 | C4 | CG2 | H3 | 2.6° | 0.3° |
| H4 | CA | N | H6 | 48.5° | 120.0° |
| H5 | CA | N | H6 | 165.9° | 120.1° |
| H7 | N2 | C9 | H8 | 160.8° | 145.0° |
| H8 | C9 | C10 | H9 | 163.2° | 64.7° |
| H8 | C9 | C10 | H10 | 79.3° | 175.3° |
| H9 | C10 | C11 | H11 | 72.7° | 174.1° |
| H10 | C10 | C11 | H11 | 169.7° | 65.8° |
| H11 | C11 | C12 | H12 | 55.5° | 179.9° |
| H11 | C11 | C12 | H13 | 175.5° | 60.0° |
| H11 | C11 | C12 | H14 | 64.6° | 60.0° |
| H11 | C11 | C13 | H15 | 58.2° | 59.6° |
| H11 | C11 | C13 | H16 | 61.9° | 60.3° |
| H11 | C11 | C13 | H17 | 178.2° | 179.6° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
| H15 | C13 | H16 | H17 | 120.0° | 120.0° |
| H18 | N3 | O3 | H19 | 179.4° | 0.1° |
