8L0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | N3 | sing | 1.42Å | 1.41Å | |
| O2 | C11 | doub | 1.21Å | 1.21Å | |
| N3 | C11 | sing | 1.35Å | 1.35Å | |
| C11 | C6 | sing | 1.51Å | 1.52Å | |
| O | C5 | doub | 1.22Å | 1.22Å | |
| C5 | N2 | sing | 1.35Å | 1.36Å | |
| C5 | N | sing | 1.35Å | 1.40Å | |
| CA | N | sing | 1.46Å | 1.52Å | |
| CA | CB | sing | 1.51Å | 1.49Å | |
| N2 | C6 | sing | 1.46Å | 1.37Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| CB | CG1 | doub | 1.38Å | 1.39Å | Aromatic |
| CB | CG2 | sing | 1.38Å | 1.39Å | Aromatic |
| CG1 | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C8 | sing | 1.53Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| CG2 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | CL1 | sing | 1.74Å | 1.76Å | |
| CD1 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| CG1 | H1 | sing | 1.08Å | 1.08Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | 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 | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| CG2 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | N3 | C11 | 112.7° | 120.0° |
| O3 | N3 | H16 | 123.6° | 120.0° |
| N3 | O3 | H17 | 109.5° | 114.0° |
| O2 | C11 | N3 | 116.9° | 119.9° |
| O2 | C11 | C6 | 119.5° | 120.0° |
| N3 | C11 | C6 | 123.6° | 120.0° |
| C11 | N3 | H16 | 123.7° | 119.9° |
| C11 | C6 | N2 | 105.3° | 109.5° |
| C11 | C6 | C7 | 120.8° | 109.5° |
| C11 | C6 | H6 | 103.7° | 109.5° |
| O | C5 | N2 | 106.6° | 120.0° |
| O | C5 | N | 125.3° | 120.0° |
| N2 | C5 | N | 127.3° | 120.0° |
| C5 | N2 | C6 | 130.3° | 120.0° |
| C5 | N2 | H5 | 114.9° | 120.0° |
| C5 | N | CA | 113.5° | 120.0° |
| C5 | N | H4 | 123.3° | 120.0° |
| N | CA | CB | 119.0° | 109.5° |
| N | CA | H2 | 107.0° | 109.5° |
| N | CA | H3 | 107.0° | 109.5° |
| CA | N | H4 | 123.2° | 120.0° |
| CA | CB | CG1 | 121.4° | 120.0° |
| CA | CB | CG2 | 119.2° | 120.0° |
| CB | CA | H2 | 107.1° | 109.4° |
| CB | CA | H3 | 107.1° | 109.4° |
| N2 | C6 | C7 | 116.3° | 109.5° |
| C6 | N2 | H5 | 114.8° | 120.0° |
| N2 | C6 | H6 | 105.3° | 109.5° |
| C6 | C7 | C8 | 128.7° | 109.5° |
| C7 | C6 | H6 | 103.6° | 109.4° |
| C6 | C7 | H7 | 104.5° | 109.5° |
| C6 | C7 | H8 | 104.4° | 109.4° |
| CG1 | CB | CG2 | 119.4° | 120.0° |
| CB | CG1 | CD1 | 119.3° | 120.0° |
| CB | CG1 | H1 | 120.3° | 120.0° |
| CB | CG2 | C13 | 121.4° | 120.0° |
| CB | CG2 | H18 | 119.3° | 120.0° |
| CG1 | CD1 | CL1 | 123.1° | 120.0° |
| CG1 | CD1 | C14 | 120.1° | 120.0° |
| CD1 | CG1 | H1 | 120.4° | 120.0° |
| C10 | C8 | C7 | 115.9° | 109.5° |
| C10 | C8 | C9 | 109.2° | 109.5° |
| C10 | C8 | H9 | 105.4° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C7 | C8 | C9 | 115.2° | 109.5° |
| C8 | C7 | H7 | 104.5° | 109.5° |
| C8 | C7 | H8 | 104.5° | 109.5° |
| C7 | C8 | H9 | 104.9° | 109.4° |
| C9 | C8 | H9 | 105.0° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C8 | C9 | H12 | 109.5° | 109.5° |
| CG2 | C13 | C14 | 119.1° | 120.0° |
| C13 | CG2 | H18 | 119.3° | 120.0° |
| CG2 | C13 | H19 | 120.4° | 120.0° |
| CL1 | CD1 | C14 | 116.8° | 120.0° |
| CD1 | C14 | C13 | 120.7° | 120.0° |
| CD1 | C14 | H20 | 119.7° | 120.0° |
| C14 | C13 | H19 | 120.5° | 120.0° |
| C13 | C14 | H20 | 119.7° | 120.0° |
| H2 | CA | H3 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.4° | 109.4° |
| H10 | C9 | H12 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.4° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | N3 | C11 | O2 | 4.8° | 0.1° |
| O3 | N3 | C11 | H16 | 180.0° | 179.9° |
| O3 | N3 | C11 | C6 | 174.2° | 180.0° |
| O2 | C11 | N3 | C6 | 179.1° | 179.9° |
| O2 | C11 | C6 | N2 | 135.7° | 0.0° |
| O2 | C11 | C6 | C7 | 90.0° | 120.0° |
| O2 | C11 | C6 | H6 | 25.4° | 120.1° |
| O2 | C11 | N3 | H16 | 175.2° | 180.0° |
| N3 | C11 | C6 | N2 | 45.2° | 180.0° |
| N3 | C11 | C6 | C7 | 89.0° | 60.0° |
| N3 | C11 | C6 | H6 | 155.6° | 60.0° |
| C11 | N3 | O3 | H17 | 2.4° | 180.0° |
| C11 | C6 | N2 | C5 | 113.6° | 85.0° |
| C11 | C6 | N2 | C7 | 136.7° | 120.0° |
| C11 | C6 | N2 | H6 | 109.2° | 120.0° |
| C11 | C6 | C7 | H6 | 115.4° | 120.0° |
| C11 | C6 | C7 | C8 | 66.1° | 175.0° |
| C11 | C6 | N2 | H5 | 66.4° | 95.1° |
| C11 | C6 | C7 | H7 | 56.4° | 64.9° |
| C11 | C6 | C7 | H8 | 171.3° | 54.9° |
| C6 | C11 | N3 | H16 | 5.8° | 0.0° |
| O | C5 | N2 | N | 170.4° | 180.0° |
| O | C5 | N | CA | 7.7° | 0.0° |
| O | C5 | N2 | C6 | 175.7° | 0.0° |
| O | C5 | N | H4 | 172.4° | 179.9° |
| O | C5 | N2 | H5 | 4.3° | 179.9° |
| N2 | C5 | N | CA | 176.4° | 180.0° |
| C5 | N2 | C6 | H5 | 180.0° | 179.9° |
| C5 | N2 | C6 | C7 | 109.7° | 155.0° |
| N2 | C5 | N | H4 | 3.6° | 0.1° |
| C5 | N2 | C6 | H6 | 4.4° | 35.0° |
| C5 | N | CA | H4 | 180.0° | 179.9° |
| C5 | N | CA | CB | 90.7° | 180.0° |
| N | C5 | N2 | C6 | 13.9° | 180.0° |
| C5 | N | CA | H2 | 147.9° | 60.0° |
| C5 | N | CA | H3 | 30.6° | 60.0° |
| N | C5 | N2 | H5 | 166.1° | 0.1° |
| N | CA | CB | H2 | 121.3° | 120.0° |
| N | CA | CB | H3 | 121.4° | 120.0° |
| N | CA | CB | CG1 | 125.0° | 90.0° |
| N | CA | CB | CG2 | 57.8° | 90.0° |
| N | CA | H2 | H3 | 115.6° | 120.0° |
| CA | CB | CG1 | CG2 | 177.2° | 180.0° |
| CA | CB | CG1 | CD1 | 179.1° | 180.0° |
| CA | CB | CG2 | C13 | 178.6° | 180.0° |
| CA | CB | CG1 | H1 | 0.9° | 0.0° |
| CB | CA | H2 | H3 | 115.7° | 120.0° |
| CB | CA | N | H4 | 89.3° | 0.0° |
| CA | CB | CG2 | H18 | 1.4° | 0.0° |
| N2 | C6 | C7 | H6 | 115.0° | 120.0° |
| N2 | C6 | C7 | C8 | 63.4° | 65.0° |
| N2 | C6 | C7 | H7 | 174.0° | 55.1° |
| N2 | C6 | C7 | H8 | 59.1° | 175.0° |
| C6 | C7 | C8 | C10 | 15.3° | 64.9° |
| C6 | C7 | C8 | H7 | 122.5° | 120.1° |
| C6 | C7 | C8 | H8 | 122.5° | 120.0° |
| C6 | C7 | C8 | C9 | 144.6° | 175.0° |
| C7 | C6 | N2 | H5 | 70.3° | 25.0° |
| C6 | C7 | H7 | H8 | 111.4° | 119.9° |
| C6 | C7 | C8 | H9 | 100.5° | 55.0° |
| CB | CG1 | CD1 | H1 | 180.0° | 180.0° |
| CG1 | CB | CG2 | C13 | 1.3° | 0.0° |
| CB | CG1 | CD1 | CL1 | 179.0° | 180.0° |
| CB | CG1 | CD1 | C14 | 1.3° | 0.2° |
| CG1 | CB | CA | H2 | 113.7° | 150.0° |
| CG1 | CB | CA | H3 | 3.6° | 30.0° |
| CG1 | CB | CG2 | H18 | 178.7° | 180.0° |
| CG2 | CB | CG1 | CD1 | 1.8° | 0.0° |
| CB | CG2 | C13 | H18 | 180.0° | 180.0° |
| CB | CG2 | C13 | C14 | 0.2° | 0.3° |
| CG2 | CB | CG1 | H1 | 178.1° | 180.0° |
| CG2 | CB | CA | H2 | 63.5° | 30.1° |
| CG2 | CB | CA | H3 | 179.1° | 150.0° |
| CB | CG2 | C13 | H19 | 179.9° | 180.0° |
| CG1 | CD1 | CL1 | C14 | 179.8° | 179.8° |
| CG1 | CD1 | C14 | C13 | 0.1° | 0.5° |
| CG1 | CD1 | C14 | H20 | 179.9° | 179.7° |
| C10 | C8 | C7 | C9 | 129.3° | 120.1° |
| C10 | C8 | C7 | H9 | 115.8° | 120.0° |
| C10 | C8 | C9 | H9 | 112.6° | 120.1° |
| C10 | C8 | C7 | H7 | 107.2° | 175.0° |
| C10 | C8 | C7 | H8 | 137.8° | 55.0° |
| C10 | C8 | C9 | H10 | 180.0° | 60.0° |
| C10 | C8 | C9 | H11 | 60.0° | 60.0° |
| C10 | C8 | C9 | H12 | 60.0° | 180.0° |
| C8 | C10 | H13 | H14 | 120.0° | 120.1° |
| C8 | C10 | H13 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C7 | C8 | C9 | H9 | 114.9° | 119.9° |
| C8 | C7 | C6 | H6 | 178.4° | 54.9° |
| C8 | C7 | H7 | H8 | 111.4° | 120.0° |
| C7 | C8 | C9 | H10 | 47.5° | 60.1° |
| C7 | C8 | C9 | H11 | 167.5° | 180.0° |
| C7 | C8 | C9 | H12 | 72.5° | 60.0° |
| C7 | C8 | C10 | H13 | 180.0° | 60.1° |
| C7 | C8 | C10 | H14 | 60.0° | 60.0° |
| C7 | C8 | C10 | H15 | 60.0° | 180.0° |
| C9 | C8 | C7 | H7 | 22.0° | 54.9° |
| C9 | C8 | C7 | H8 | 92.9° | 65.0° |
| C8 | C9 | H10 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H12 | 120.0° | 120.1° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C9 | C8 | C10 | H13 | 47.9° | 60.0° |
| C9 | C8 | C10 | H14 | 167.9° | 180.0° |
| C9 | C8 | C10 | H15 | 72.2° | 60.0° |
| CG2 | C13 | C14 | CD1 | 0.5° | 0.5° |
| CG2 | C13 | C14 | H19 | 180.0° | 179.7° |
| CG2 | C13 | C14 | H20 | 179.5° | 179.7° |
| CL1 | CD1 | C14 | C13 | 179.9° | 179.8° |
| CL1 | CD1 | CG1 | H1 | 1.0° | 0.0° |
| CL1 | CD1 | C14 | H20 | 0.1° | 0.1° |
| CD1 | C14 | C13 | H20 | 180.0° | 179.8° |
| C14 | CD1 | CG1 | H1 | 178.7° | 179.8° |
| CD1 | C14 | C13 | H19 | 179.5° | 179.8° |
| C14 | C13 | CG2 | H18 | 179.9° | 179.8° |
| H2 | CA | N | H4 | 32.1° | 120.0° |
| H3 | CA | N | H4 | 149.3° | 119.9° |
| H5 | N2 | C6 | H6 | 175.6° | 144.9° |
| H6 | C6 | C7 | H7 | 59.0° | 175.0° |
| H6 | C6 | C7 | H8 | 55.9° | 65.1° |
| H7 | C7 | C8 | H9 | 137.0° | 65.0° |
| H8 | C7 | C8 | H9 | 22.0° | 175.0° |
| H9 | C8 | C9 | H10 | 67.4° | 180.0° |
| H9 | C8 | C9 | H11 | 52.6° | 60.1° |
| H9 | C8 | C9 | H12 | 172.6° | 59.9° |
| H9 | C8 | C10 | H13 | 64.5° | 180.0° |
| H9 | C8 | C10 | H14 | 55.5° | 60.0° |
| H9 | C8 | C10 | H15 | 175.5° | 60.1° |
| H10 | C9 | H11 | H12 | 120.0° | 120.0° |
| H13 | C10 | H14 | H15 | 120.0° | 119.9° |
| H16 | N3 | O3 | H17 | 177.6° | 0.1° |
| H18 | CG2 | C13 | H19 | 0.1° | 0.1° |
| H19 | C13 | C14 | H20 | 0.5° | 0.0° |
