E8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | CD1 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C15 | sing | 1.38Å | 1.34Å | Aromatic |
| CD1 | CG1 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C15 | CG2 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.48Å | |
| C10 | C12 | sing | 1.53Å | 1.48Å | |
| CG1 | CB | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| CG2 | CB | sing | 1.38Å | 1.36Å | Aromatic |
| CB | CA | sing | 1.51Å | 1.47Å | |
| N2 | C8 | sing | 1.47Å | 1.42Å | |
| N2 | C7 | sing | 1.35Å | 1.39Å | |
| C8 | C13 | sing | 1.51Å | 1.52Å | |
| N | C7 | sing | 1.35Å | 1.40Å | |
| N | CA | sing | 1.46Å | 1.54Å | |
| C7 | O | doub | 1.22Å | 1.22Å | |
| C13 | O2 | doub | 1.21Å | 1.22Å | |
| C13 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | O3 | sing | 1.42Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| CD1 | H4 | sing | 1.08Å | 1.08Å | |
| CG1 | H5 | sing | 1.08Å | 1.08Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| CG2 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | CD1 | 123.6° | 120.0° |
| C1 | C2 | C15 | 114.6° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| CD1 | C2 | C15 | 121.9° | 120.0° |
| C2 | CD1 | CG1 | 115.0° | 120.0° |
| C2 | CD1 | H4 | 122.5° | 120.0° |
| C2 | C15 | C16 | 112.4° | 120.0° |
| C2 | C15 | CG2 | 122.5° | 120.0° |
| CD1 | CG1 | CB | 124.4° | 120.0° |
| CG1 | CD1 | H4 | 122.5° | 120.0° |
| CD1 | CG1 | H5 | 117.8° | 120.0° |
| C16 | C15 | CG2 | 125.1° | 120.0° |
| C15 | C16 | H23 | 109.5° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C11 | C10 | C9 | 115.7° | 109.5° |
| C11 | C10 | C12 | 127.2° | 109.5° |
| C11 | C10 | H13 | 103.8° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C15 | CG2 | CB | 118.1° | 120.0° |
| C15 | CG2 | H22 | 120.9° | 120.0° |
| C9 | C10 | C12 | 99.2° | 109.4° |
| C10 | C9 | C8 | 109.3° | 109.5° |
| C10 | C9 | H11 | 109.5° | 109.5° |
| C10 | C9 | H12 | 109.5° | 109.5° |
| C9 | C10 | H13 | 104.3° | 109.5° |
| C12 | C10 | H13 | 104.2° | 109.5° |
| C10 | C12 | H17 | 109.5° | 109.4° |
| C10 | C12 | H18 | 109.5° | 109.4° |
| C10 | C12 | H19 | 109.5° | 109.5° |
| CG1 | CB | CG2 | 118.1° | 120.0° |
| CG1 | CB | CA | 116.8° | 120.0° |
| CB | CG1 | H5 | 117.8° | 120.0° |
| C9 | C8 | N2 | 100.7° | 109.4° |
| C9 | C8 | C13 | 99.3° | 109.5° |
| C9 | C8 | H10 | 113.4° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.4° |
| C8 | C9 | H12 | 109.5° | 109.4° |
| CG2 | CB | CA | 125.0° | 120.0° |
| CB | CG2 | H22 | 120.9° | 120.1° |
| CB | CA | N | 108.8° | 109.5° |
| CB | CA | H6 | 109.6° | 109.4° |
| CB | CA | H7 | 109.6° | 109.5° |
| C8 | N2 | C7 | 117.8° | 120.0° |
| N2 | C8 | C13 | 113.0° | 109.5° |
| C8 | N2 | H9 | 121.1° | 120.0° |
| N2 | C8 | H10 | 115.2° | 109.5° |
| N2 | C7 | N | 117.4° | 120.0° |
| N2 | C7 | O | 121.5° | 120.0° |
| C7 | N2 | H9 | 121.1° | 120.0° |
| C8 | C13 | O2 | 130.2° | 120.0° |
| C8 | C13 | N3 | 113.0° | 120.0° |
| C13 | C8 | H10 | 113.5° | 109.5° |
| C7 | N | CA | 120.8° | 120.0° |
| N | C7 | O | 121.2° | 120.0° |
| C7 | N | H8 | 119.6° | 120.0° |
| N | CA | H6 | 109.6° | 109.5° |
| N | CA | H7 | 109.6° | 109.4° |
| CA | N | H8 | 119.6° | 120.0° |
| O2 | C13 | N3 | 116.8° | 120.0° |
| C13 | N3 | O3 | 115.1° | 120.0° |
| C13 | N3 | H20 | 122.5° | 120.0° |
| O3 | N3 | H20 | 122.4° | 120.0° |
| N3 | O3 | H21 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | CA | H7 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H14 | C11 | H16 | 109.4° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H23 | C16 | H24 | 109.4° | 109.4° |
| H23 | C16 | H25 | 109.4° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | CD1 | C15 | 179.7° | 179.8° |
| C1 | C2 | CD1 | CG1 | 179.1° | 180.0° |
| C1 | C2 | C15 | C16 | 1.5° | 0.1° |
| C1 | C2 | C15 | CG2 | 178.7° | 179.8° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | CD1 | H4 | 0.9° | 0.0° |
| C2 | CD1 | CG1 | H4 | 180.0° | 180.0° |
| CD1 | C2 | C15 | C16 | 178.8° | 179.7° |
| CD1 | C2 | C15 | CG2 | 1.0° | 0.4° |
| C2 | CD1 | CG1 | CB | 0.4° | 0.0° |
| CD1 | C2 | C1 | H1 | 89.8° | 90.0° |
| CD1 | C2 | C1 | H2 | 150.2° | 150.0° |
| CD1 | C2 | C1 | H3 | 30.2° | 30.0° |
| C2 | CD1 | CG1 | H5 | 179.6° | 180.0° |
| C15 | C2 | CD1 | CG1 | 0.6° | 0.3° |
| C2 | C15 | C16 | CG2 | 179.8° | 179.8° |
| C2 | C15 | CG2 | CB | 0.3° | 0.4° |
| C15 | C2 | C1 | H1 | 89.9° | 90.3° |
| C15 | C2 | C1 | H2 | 30.1° | 29.8° |
| C15 | C2 | C1 | H3 | 150.1° | 149.7° |
| C15 | C2 | CD1 | H4 | 179.4° | 179.8° |
| C2 | C15 | CG2 | H22 | 179.7° | 179.8° |
| C2 | C15 | C16 | H23 | 90.1° | 90.0° |
| C2 | C15 | C16 | H24 | 149.9° | 150.0° |
| C2 | C15 | C16 | H25 | 29.9° | 30.0° |
| CD1 | CG1 | CB | H5 | 180.0° | 180.0° |
| CD1 | CG1 | CB | CG2 | 1.1° | 0.0° |
| CD1 | CG1 | CB | CA | 177.3° | 180.0° |
| C16 | C15 | CG2 | CB | 179.4° | 179.8° |
| C16 | C15 | CG2 | H22 | 0.6° | 0.1° |
| C15 | C16 | H23 | H24 | 120.0° | 120.0° |
| C15 | C16 | H23 | H25 | 120.0° | 120.0° |
| C15 | C16 | H24 | H25 | 120.0° | 120.1° |
| C11 | C10 | C9 | C12 | 139.3° | 120.0° |
| C11 | C10 | C9 | H13 | 113.3° | 120.0° |
| C11 | C10 | C12 | H13 | 120.1° | 120.0° |
| C11 | C10 | C9 | C8 | 160.6° | 65.9° |
| C11 | C10 | C9 | H11 | 79.4° | 54.0° |
| C11 | C10 | C9 | H12 | 40.6° | 174.2° |
| C10 | C11 | H14 | H15 | 120.0° | 120.0° |
| C10 | C11 | H14 | H16 | 120.0° | 120.1° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C11 | C10 | C12 | H17 | 180.0° | 179.7° |
| C11 | C10 | C12 | H18 | 60.0° | 59.7° |
| C11 | C10 | C12 | H19 | 60.0° | 60.3° |
| C15 | CG2 | CB | CG1 | 0.7° | 0.2° |
| C15 | CG2 | CB | H22 | 180.0° | 179.8° |
| C15 | CG2 | CB | CA | 176.6° | 179.8° |
| CG2 | C15 | C16 | H23 | 90.1° | 89.8° |
| CG2 | C15 | C16 | H24 | 29.9° | 30.1° |
| CG2 | C15 | C16 | H25 | 149.9° | 150.2° |
| C9 | C10 | C12 | H13 | 107.4° | 120.0° |
| C10 | C9 | C8 | H11 | 120.0° | 120.0° |
| C10 | C9 | C8 | H12 | 120.0° | 120.0° |
| C10 | C9 | C8 | N2 | 153.0° | 64.7° |
| C10 | C9 | C8 | C13 | 91.4° | 175.3° |
| C10 | C9 | C8 | H10 | 29.4° | 55.3° |
| C10 | C9 | H11 | H12 | 120.0° | 120.1° |
| C9 | C10 | C11 | H14 | 180.0° | 60.0° |
| C9 | C10 | C11 | H15 | 60.0° | 180.0° |
| C9 | C10 | C11 | H16 | 60.0° | 60.1° |
| C9 | C10 | C12 | H17 | 47.5° | 60.4° |
| C9 | C10 | C12 | H18 | 72.5° | 179.7° |
| C9 | C10 | C12 | H19 | 167.5° | 59.6° |
| C12 | C10 | C9 | C8 | 21.3° | 174.2° |
| C12 | C10 | C9 | H11 | 141.2° | 65.9° |
| C12 | C10 | C9 | H12 | 98.7° | 54.2° |
| C12 | C10 | C11 | H14 | 53.9° | 59.9° |
| C12 | C10 | C11 | H15 | 66.1° | 60.0° |
| C12 | C10 | C11 | H16 | 173.9° | 180.0° |
| C10 | C12 | H17 | H18 | 120.0° | 119.9° |
| C10 | C12 | H17 | H19 | 120.0° | 120.0° |
| C10 | C12 | H18 | H19 | 120.0° | 120.0° |
| CG1 | CB | CG2 | CA | 175.9° | 180.0° |
| CG1 | CB | CA | N | 44.3° | 90.0° |
| CB | CG1 | CD1 | H4 | 179.6° | 180.0° |
| CG1 | CB | CA | H6 | 164.2° | 150.0° |
| CG1 | CB | CA | H7 | 75.6° | 30.0° |
| CG1 | CB | CG2 | H22 | 179.3° | 180.0° |
| C9 | C8 | N2 | C13 | 105.0° | 120.0° |
| C9 | C8 | N2 | H10 | 122.3° | 120.0° |
| C9 | C8 | N2 | C7 | 150.1° | 155.0° |
| C9 | C8 | C13 | H10 | 120.7° | 120.0° |
| C9 | C8 | C13 | O2 | 64.3° | 119.9° |
| C9 | C8 | C13 | N3 | 117.7° | 60.0° |
| C9 | C8 | N2 | H9 | 30.0° | 25.0° |
| C8 | C9 | H11 | H12 | 120.1° | 120.0° |
| C8 | C9 | C10 | H13 | 86.1° | 54.2° |
| CG2 | CB | CA | N | 131.7° | 90.0° |
| CG2 | CB | CG1 | H5 | 178.9° | 179.9° |
| CG2 | CB | CA | H6 | 11.8° | 30.0° |
| CG2 | CB | CA | H7 | 108.4° | 150.1° |
| CB | CA | N | C7 | 104.3° | 180.0° |
| CB | CA | N | H6 | 119.9° | 119.9° |
| CB | CA | N | H7 | 119.9° | 120.0° |
| CA | CB | CG1 | H5 | 2.6° | 0.0° |
| CB | CA | H6 | H7 | 120.3° | 120.0° |
| CB | CA | N | H8 | 75.6° | 0.0° |
| CA | CB | CG2 | H22 | 3.4° | 0.0° |
| C8 | N2 | C7 | H9 | 180.0° | 180.0° |
| N2 | C8 | C13 | H10 | 133.4° | 120.0° |
| C8 | N2 | C7 | N | 173.7° | 180.0° |
| C8 | N2 | C7 | O | 6.2° | 0.0° |
| N2 | C8 | C13 | O2 | 41.6° | 0.0° |
| N2 | C8 | C13 | N3 | 136.4° | 180.0° |
| N2 | C8 | C9 | H11 | 33.0° | 175.3° |
| N2 | C8 | C9 | H12 | 87.1° | 55.3° |
| C7 | N2 | C8 | C13 | 104.9° | 85.0° |
| N2 | C7 | N | O | 179.8° | 180.0° |
| N2 | C7 | N | CA | 179.9° | 180.0° |
| N2 | C7 | N | H8 | 0.1° | 0.0° |
| C7 | N2 | C8 | H10 | 27.7° | 35.0° |
| C8 | C13 | O2 | N3 | 178.0° | 180.0° |
| C8 | C13 | N3 | O3 | 178.8° | 180.0° |
| C13 | C8 | N2 | H9 | 75.0° | 95.0° |
| C13 | C8 | C9 | H11 | 148.7° | 55.3° |
| C13 | C8 | C9 | H12 | 28.6° | 64.6° |
| C8 | C13 | N3 | H20 | 1.2° | 0.0° |
| C7 | N | CA | H8 | 180.0° | 180.0° |
| C7 | N | CA | H6 | 15.5° | 60.1° |
| C7 | N | CA | H7 | 135.8° | 60.0° |
| N | C7 | N2 | H9 | 6.3° | 0.0° |
| CA | N | C7 | O | 0.3° | 0.0° |
| N | CA | H6 | H7 | 120.3° | 120.0° |
| O | C7 | N | H8 | 179.7° | 180.0° |
| O | C7 | N2 | H9 | 173.9° | 180.0° |
| O2 | C13 | N3 | O3 | 0.5° | 0.0° |
| O2 | C13 | C8 | H10 | 175.1° | 120.0° |
| O2 | C13 | N3 | H20 | 179.5° | 180.0° |
| C13 | N3 | O3 | H20 | 180.0° | 180.0° |
| N3 | C13 | C8 | H10 | 3.0° | 60.0° |
| C13 | N3 | O3 | H21 | 0.2° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | CD1 | CG1 | H5 | 0.4° | 0.0° |
| H6 | CA | N | H8 | 164.5° | 119.9° |
| H7 | CA | N | H8 | 44.3° | 120.0° |
| H9 | N2 | C8 | H10 | 152.3° | 145.0° |
| H10 | C8 | C9 | H11 | 90.6° | 64.7° |
| H10 | C8 | C9 | H12 | 149.4° | 175.3° |
| H11 | C9 | C10 | H13 | 33.9° | 174.1° |
| H12 | C9 | C10 | H13 | 153.9° | 65.8° |
| H13 | C10 | C11 | H14 | 66.4° | 179.9° |
| H13 | C10 | C11 | H15 | 173.6° | 60.0° |
| H13 | C10 | C11 | H16 | 53.6° | 60.0° |
| H13 | C10 | C12 | H17 | 59.9° | 59.6° |
| H13 | C10 | C12 | H18 | 179.9° | 60.3° |
| H13 | C10 | C12 | H19 | 60.1° | 179.6° |
| H14 | C11 | H15 | H16 | 120.0° | 120.0° |
| H17 | C12 | H18 | H19 | 120.0° | 120.0° |
| H20 | N3 | O3 | H21 | 179.8° | 0.0° |
| H23 | C16 | H24 | H25 | 119.9° | 120.0° |
