8LO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | CG2 | sing | 1.53Å | 1.52Å | |
| O3 | N3 | sing | 1.42Å | 1.37Å | |
| CG2 | CB | sing | 1.51Å | 1.50Å | |
| N3 | C17 | sing | 1.35Å | 1.29Å | |
| O2 | C17 | doub | 1.21Å | 1.32Å | |
| C17 | C12 | sing | 1.51Å | 1.48Å | |
| CB | CG1 | doub | 1.38Å | 1.40Å | Aromatic |
| CB | CA | sing | 1.39Å | 1.40Å | Aromatic |
| CG1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C11 | doub | 1.22Å | 1.23Å | |
| C11 | N | sing | 1.35Å | 1.41Å | |
| C11 | N2 | sing | 1.35Å | 1.38Å | |
| N | CA | sing | 1.40Å | 1.52Å | |
| C12 | N2 | sing | 1.46Å | 1.39Å | |
| C12 | C13 | sing | 1.53Å | 1.45Å | |
| CA | C | doub | 1.39Å | 1.41Å | Aromatic |
| CD1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C6 | C | sing | 1.38Å | 1.41Å | Aromatic |
| C | C8 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C16 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| CG2 | H4 | sing | 1.09Å | 1.10Å | |
| CG2 | H5 | sing | 1.09Å | 1.10Å | |
| CG1 | H6 | sing | 1.08Å | 1.08Å | |
| CD1 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| O3 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | CG2 | CB | 116.2° | 109.5° |
| CG2 | C1 | H1 | 109.5° | 109.4° |
| CG2 | C1 | H2 | 109.5° | 109.5° |
| CG2 | C1 | H3 | 109.5° | 109.5° |
| C1 | CG2 | H4 | 107.7° | 109.4° |
| C1 | CG2 | H5 | 107.8° | 109.5° |
| O3 | N3 | C17 | 114.8° | 120.0° |
| O3 | N3 | H26 | 122.6° | 120.0° |
| N3 | O3 | H27 | 109.5° | 114.0° |
| CG2 | CB | CG1 | 115.3° | 120.0° |
| CG2 | CB | CA | 124.2° | 120.0° |
| CB | CG2 | H4 | 107.8° | 109.5° |
| CB | CG2 | H5 | 107.8° | 109.5° |
| N3 | C17 | O2 | 117.0° | 120.0° |
| N3 | C17 | C12 | 118.0° | 120.0° |
| C17 | N3 | H26 | 122.6° | 120.0° |
| O2 | C17 | C12 | 118.2° | 120.0° |
| C17 | C12 | N2 | 117.9° | 109.5° |
| C17 | C12 | C13 | 109.3° | 109.4° |
| C17 | C12 | H16 | 106.4° | 109.5° |
| CG1 | CB | CA | 120.5° | 119.9° |
| CB | CG1 | CD1 | 122.2° | 120.1° |
| CB | CG1 | H6 | 118.9° | 120.0° |
| CB | CA | N | 116.0° | 120.1° |
| CB | CA | C | 119.7° | 119.9° |
| CG1 | CD1 | C6 | 115.2° | 120.1° |
| CD1 | CG1 | H6 | 118.9° | 120.0° |
| CG1 | CD1 | H7 | 122.4° | 119.9° |
| O1 | C11 | N | 117.6° | 120.0° |
| O1 | C11 | N2 | 128.6° | 120.0° |
| N | C11 | N2 | 113.8° | 120.0° |
| C11 | N | CA | 131.8° | 120.0° |
| C11 | N | H14 | 114.1° | 120.0° |
| C11 | N2 | C12 | 122.3° | 120.0° |
| C11 | N2 | H15 | 118.8° | 120.0° |
| N | CA | C | 124.3° | 120.1° |
| CA | N | H14 | 114.1° | 120.0° |
| N2 | C12 | C13 | 108.5° | 109.5° |
| C12 | N2 | H15 | 118.8° | 120.0° |
| N2 | C12 | H16 | 107.5° | 109.5° |
| C12 | C13 | C14 | 112.7° | 109.5° |
| C13 | C12 | H16 | 106.7° | 109.5° |
| C12 | C13 | H17 | 108.7° | 109.5° |
| C12 | C13 | H18 | 108.6° | 109.5° |
| CA | C | C6 | 116.2° | 119.9° |
| CA | C | C8 | 125.1° | 120.0° |
| CD1 | C6 | C | 126.1° | 120.1° |
| C6 | CD1 | H7 | 122.4° | 120.0° |
| CD1 | C6 | H8 | 116.9° | 120.0° |
| C13 | C14 | C15 | 113.1° | 109.5° |
| C13 | C14 | C16 | 108.2° | 109.5° |
| C14 | C13 | H17 | 108.6° | 109.5° |
| C14 | C13 | H18 | 108.7° | 109.5° |
| C13 | C14 | H19 | 111.1° | 109.4° |
| C6 | C | C8 | 118.6° | 120.1° |
| C | C6 | H8 | 116.9° | 119.9° |
| C | C8 | C9 | 114.2° | 109.5° |
| C | C8 | H9 | 108.3° | 109.5° |
| C | C8 | H10 | 108.3° | 109.5° |
| C15 | C14 | C16 | 102.6° | 109.5° |
| C15 | C14 | H19 | 110.7° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.4° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C16 | C14 | H19 | 110.9° | 109.5° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| C14 | C16 | H24 | 109.5° | 109.4° |
| C14 | C16 | H25 | 109.5° | 109.5° |
| C9 | C8 | H9 | 108.3° | 109.5° |
| C9 | C8 | H10 | 108.3° | 109.4° |
| C8 | C9 | H11 | 109.5° | 109.4° |
| C8 | C9 | H12 | 109.5° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | CG2 | H5 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H11 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.4° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.4° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 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 | CG2 | CB | H4 | 120.9° | 120.0° |
| C1 | CG2 | CB | H5 | 121.0° | 120.0° |
| C1 | CG2 | CB | CG1 | 74.0° | 95.1° |
| C1 | CG2 | CB | CA | 107.9° | 84.7° |
| CG2 | C1 | H1 | H2 | 120.0° | 120.0° |
| CG2 | C1 | H1 | H3 | 120.0° | 119.9° |
| CG2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | CG2 | H4 | H5 | 116.9° | 120.0° |
| O3 | N3 | C17 | H26 | 180.0° | 180.0° |
| O3 | N3 | C17 | O2 | 30.5° | 0.0° |
| O3 | N3 | C17 | C12 | 179.0° | 180.0° |
| CG2 | CB | CG1 | CA | 178.1° | 179.8° |
| CG2 | CB | CG1 | CD1 | 178.3° | 180.0° |
| CG2 | CB | CA | N | 1.7° | 0.0° |
| CG2 | CB | CA | C | 177.6° | 179.7° |
| CB | CG2 | C1 | H1 | 180.0° | 60.0° |
| CB | CG2 | C1 | H2 | 60.0° | 180.0° |
| CB | CG2 | C1 | H3 | 60.0° | 59.9° |
| CB | CG2 | H4 | H5 | 116.9° | 120.0° |
| CG2 | CB | CG1 | H6 | 1.7° | 0.0° |
| N3 | C17 | O2 | C12 | 150.4° | 179.9° |
| N3 | C17 | C12 | N2 | 115.9° | 179.7° |
| N3 | C17 | C12 | C13 | 119.7° | 59.7° |
| N3 | C17 | C12 | H16 | 4.8° | 60.2° |
| C17 | N3 | O3 | H27 | 15.6° | 180.0° |
| O2 | C17 | C12 | N2 | 34.2° | 0.4° |
| O2 | C17 | C12 | C13 | 90.2° | 120.3° |
| O2 | C17 | C12 | H16 | 154.9° | 119.7° |
| O2 | C17 | N3 | H26 | 149.5° | 180.0° |
| C17 | C12 | N2 | C11 | 108.8° | 159.0° |
| C17 | C12 | N2 | C13 | 124.8° | 119.9° |
| C17 | C12 | N2 | H16 | 120.1° | 120.0° |
| C17 | C12 | C13 | H16 | 114.7° | 120.0° |
| C17 | C12 | C13 | C14 | 74.0° | 66.3° |
| C17 | C12 | N2 | H15 | 71.2° | 21.0° |
| C17 | C12 | C13 | H17 | 46.5° | 173.7° |
| C17 | C12 | C13 | H18 | 165.6° | 53.8° |
| C12 | C17 | N3 | H26 | 1.0° | 0.1° |
| CB | CG1 | CD1 | H6 | 180.0° | 179.9° |
| CG1 | CB | CA | N | 179.7° | 179.8° |
| CG1 | CB | CA | C | 0.4° | 0.5° |
| CB | CG1 | CD1 | C6 | 0.9° | 0.1° |
| CG1 | CB | CG2 | H4 | 46.9° | 145.0° |
| CG1 | CB | CG2 | H5 | 165.0° | 25.0° |
| CB | CG1 | CD1 | H7 | 179.1° | 180.0° |
| CA | CB | CG1 | CD1 | 0.2° | 0.2° |
| CB | CA | N | C11 | 117.0° | 133.7° |
| CB | CA | N | C | 179.3° | 179.7° |
| CB | CA | C | C6 | 1.9° | 0.5° |
| CB | CA | C | C8 | 179.0° | 179.8° |
| CA | CB | CG2 | H4 | 131.1° | 35.3° |
| CA | CB | CG2 | H5 | 13.0° | 155.3° |
| CA | CB | CG1 | H6 | 179.8° | 179.7° |
| CB | CA | N | H14 | 63.0° | 46.4° |
| CG1 | CD1 | C6 | H7 | 180.0° | 179.9° |
| CG1 | CD1 | C6 | C | 2.7° | 0.0° |
| CG1 | CD1 | C6 | H8 | 177.3° | 179.9° |
| O1 | C11 | N | N2 | 179.9° | 179.9° |
| O1 | C11 | N | CA | 178.9° | 1.7° |
| O1 | C11 | N2 | C12 | 0.9° | 5.1° |
| O1 | C11 | N | H14 | 1.0° | 178.4° |
| O1 | C11 | N2 | H15 | 179.1° | 174.9° |
| C11 | N | CA | H14 | 180.0° | 179.9° |
| N | C11 | N2 | C12 | 179.0° | 175.0° |
| C11 | N | CA | C | 63.7° | 46.0° |
| N | C11 | N2 | H15 | 1.0° | 5.0° |
| N2 | C11 | N | CA | 1.2° | 178.4° |
| C11 | N2 | C12 | H15 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 126.3° | 81.1° |
| N2 | C11 | N | H14 | 178.8° | 1.5° |
| C11 | N2 | C12 | H16 | 11.3° | 38.9° |
| N | CA | C | C6 | 178.9° | 179.8° |
| N | CA | C | C8 | 1.8° | 0.1° |
| N2 | C12 | C13 | H16 | 115.6° | 120.0° |
| N2 | C12 | C13 | C14 | 156.3° | 53.7° |
| N2 | C12 | C13 | H17 | 83.2° | 66.3° |
| N2 | C12 | C13 | H18 | 35.8° | 173.7° |
| C12 | C13 | C14 | H17 | 120.5° | 120.0° |
| C12 | C13 | C14 | H18 | 120.5° | 120.0° |
| C12 | C13 | C14 | C15 | 79.8° | 171.1° |
| C12 | C13 | C14 | C16 | 167.3° | 68.8° |
| C13 | C12 | N2 | H15 | 53.7° | 98.9° |
| C12 | C13 | H17 | H18 | 118.5° | 120.0° |
| C12 | C13 | C14 | H19 | 45.4° | 51.2° |
| CA | C | C6 | CD1 | 3.3° | 0.3° |
| CA | C | C6 | C8 | 177.2° | 179.7° |
| CA | C | C8 | C9 | 124.9° | 129.4° |
| CA | C | C6 | H8 | 176.7° | 179.8° |
| CA | C | C8 | H9 | 4.2° | 110.6° |
| CA | C | C8 | H10 | 114.4° | 9.4° |
| C | CA | N | H14 | 116.3° | 133.9° |
| CD1 | C6 | C | H8 | 180.0° | 180.0° |
| CD1 | C6 | C | C8 | 179.5° | 180.0° |
| C6 | CD1 | CG1 | H6 | 179.1° | 180.0° |
| C13 | C14 | C15 | C16 | 116.3° | 120.0° |
| C13 | C14 | C15 | H19 | 125.4° | 120.0° |
| C13 | C14 | C16 | H19 | 122.0° | 120.0° |
| C14 | C13 | C12 | H16 | 40.7° | 173.7° |
| C14 | C13 | H17 | H18 | 118.5° | 120.0° |
| C13 | C14 | C15 | H20 | 180.0° | 60.0° |
| C13 | C14 | C15 | H21 | 60.0° | 180.0° |
| C13 | C14 | C15 | H22 | 60.0° | 60.0° |
| C13 | C14 | C16 | H23 | 180.0° | 169.0° |
| C13 | C14 | C16 | H24 | 60.0° | 49.1° |
| C13 | C14 | C16 | H25 | 60.0° | 71.0° |
| C6 | C | C8 | C9 | 58.1° | 50.9° |
| C | C6 | CD1 | H7 | 177.3° | 180.0° |
| C6 | C | C8 | H9 | 178.9° | 69.1° |
| C6 | C | C8 | H10 | 62.6° | 170.9° |
| C | C8 | C9 | H9 | 120.7° | 120.0° |
| C | C8 | C9 | H10 | 120.7° | 120.0° |
| C8 | C | C6 | H8 | 0.5° | 0.1° |
| C | C8 | H9 | H10 | 117.8° | 120.0° |
| C | C8 | C9 | H11 | 180.0° | 67.0° |
| C | C8 | C9 | H12 | 60.0° | 173.1° |
| C | C8 | C9 | H13 | 60.0° | 53.0° |
| C15 | C14 | C16 | H19 | 118.2° | 120.0° |
| C15 | C14 | C13 | H17 | 159.7° | 51.1° |
| C15 | C14 | C13 | H18 | 40.7° | 68.8° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H22 | 120.0° | 120.0° |
| C14 | C15 | H21 | H22 | 120.0° | 120.0° |
| C15 | C14 | C16 | H23 | 60.2° | 49.0° |
| C15 | C14 | C16 | H24 | 179.8° | 70.9° |
| C15 | C14 | C16 | H25 | 59.7° | 169.0° |
| C16 | C14 | C13 | H17 | 46.8° | 171.2° |
| C16 | C14 | C13 | H18 | 72.2° | 51.2° |
| C16 | C14 | C15 | H20 | 63.8° | 60.0° |
| C16 | C14 | C15 | H21 | 56.3° | 60.0° |
| C16 | C14 | C15 | H22 | 176.2° | 180.0° |
| C14 | C16 | H23 | H24 | 120.0° | 119.9° |
| C14 | C16 | H23 | H25 | 120.0° | 120.0° |
| C14 | C16 | H24 | H25 | 120.0° | 120.0° |
| C9 | C8 | H9 | H10 | 117.8° | 119.9° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H13 | 120.0° | 120.0° |
| C8 | C9 | H12 | H13 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | CG2 | H4 | 59.0° | 179.9° |
| H1 | C1 | CG2 | H5 | 59.0° | 60.0° |
| H2 | C1 | CG2 | H4 | 61.0° | 60.0° |
| H2 | C1 | CG2 | H5 | 179.0° | 60.0° |
| H3 | C1 | CG2 | H4 | 179.0° | 60.0° |
| H3 | C1 | CG2 | H5 | 61.0° | 180.0° |
| H6 | CG1 | CD1 | H7 | 0.9° | 0.1° |
| H7 | CD1 | C6 | H8 | 2.7° | 0.0° |
| H9 | C8 | C9 | H11 | 59.3° | 53.1° |
| H9 | C8 | C9 | H12 | 179.3° | 66.9° |
| H9 | C8 | C9 | H13 | 60.7° | 173.1° |
| H10 | C8 | C9 | H11 | 59.3° | 173.0° |
| H10 | C8 | C9 | H12 | 60.7° | 53.1° |
| H10 | C8 | C9 | H13 | 179.3° | 67.0° |
| H11 | C9 | H12 | H13 | 120.0° | 120.0° |
| H15 | N2 | C12 | H16 | 168.8° | 141.1° |
| H16 | C12 | C13 | H17 | 161.2° | 53.7° |
| H16 | C12 | C13 | H18 | 79.8° | 66.2° |
| H17 | C13 | C14 | H19 | 75.1° | 68.9° |
| H18 | C13 | C14 | H19 | 165.9° | 171.2° |
| H19 | C14 | C15 | H20 | 54.6° | 180.0° |
| H19 | C14 | C15 | H21 | 174.6° | 60.0° |
| H19 | C14 | C15 | H22 | 65.4° | 60.0° |
| H19 | C14 | C16 | H23 | 58.0° | 71.0° |
| H19 | C14 | C16 | H24 | 62.0° | 169.1° |
| H19 | C14 | C16 | H25 | 178.0° | 49.0° |
| H20 | C15 | H21 | H22 | 119.9° | 120.0° |
| H23 | C16 | H24 | H25 | 119.9° | 120.0° |
| H26 | N3 | O3 | H27 | 164.4° | 0.0° |
