5RL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N03 | sing | 1.47Å | 1.45Å | |
| C06 | C04 | sing | 1.53Å | 1.49Å | |
| C06 | C11 | sing | 1.50Å | 1.45Å | |
| N03 | C04 | sing | 1.47Å | 1.45Å | |
| N03 | C08 | sing | 1.46Å | 1.48Å | |
| C04 | C05 | sing | 1.51Å | 1.48Å | |
| C08 | C09 | sing | 1.52Å | 1.55Å | |
| C09 | C07 | sing | 1.50Å | 1.50Å | |
| C16 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C05 | C07 | doub | 1.38Å | 1.33Å | Aromatic |
| C05 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C10 | sing | 1.48Å | 1.43Å | |
| C12 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | O02 | sing | 1.36Å | 1.39Å | |
| C17 | O01 | sing | 1.36Å | 1.38Å | |
| C15 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| O01 | H8 | sing | 0.97Å | 0.95Å | |
| O02 | H9 | sing | 0.97Å | 0.95Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N03 | C04 | 126.3° | 111.0° |
| C13 | N03 | C08 | 113.4° | 111.0° |
| N03 | C13 | H1 | 109.5° | 109.5° |
| N03 | C13 | H2 | 109.5° | 109.5° |
| N03 | C13 | H3 | 109.5° | 109.4° |
| C04 | C06 | C11 | 114.7° | 110.5° |
| C06 | C04 | N03 | 119.8° | 109.1° |
| C06 | C04 | C05 | 118.5° | 111.0° |
| C04 | C06 | H10 | 108.1° | 109.3° |
| C04 | C06 | H16 | 108.2° | 109.2° |
| C06 | C04 | H17 | 96.2° | 108.9° |
| C06 | C11 | C16 | 109.4° | 120.5° |
| C06 | C11 | C12 | 127.7° | 119.6° |
| C11 | C06 | H10 | 108.1° | 109.3° |
| C11 | C06 | H16 | 108.2° | 109.3° |
| C04 | N03 | C08 | 120.3° | 110.6° |
| N03 | C04 | C05 | 118.1° | 109.2° |
| N03 | C04 | H17 | 96.4° | 109.4° |
| N03 | C08 | C09 | 116.8° | 110.9° |
| N03 | C08 | H11 | 107.6° | 109.2° |
| N03 | C08 | H12 | 107.6° | 109.3° |
| C04 | C05 | C07 | 117.1° | 120.8° |
| C04 | C05 | C10 | 119.7° | 119.4° |
| C05 | C04 | H17 | 96.2° | 109.3° |
| C08 | C09 | C07 | 108.9° | 112.4° |
| C09 | C08 | H11 | 107.6° | 109.2° |
| C09 | C08 | H12 | 107.6° | 109.2° |
| C08 | C09 | H13 | 109.6° | 108.9° |
| C08 | C09 | H14 | 109.6° | 108.9° |
| C09 | C07 | C05 | 127.9° | 122.3° |
| C09 | C07 | C14 | 110.0° | 118.1° |
| C07 | C09 | H13 | 109.6° | 108.9° |
| C07 | C09 | H14 | 109.6° | 108.9° |
| C11 | C16 | C20 | 120.2° | 120.1° |
| C16 | C11 | C12 | 122.9° | 119.9° |
| C11 | C16 | H6 | 119.9° | 119.9° |
| C16 | C20 | C19 | 118.3° | 120.4° |
| C20 | C16 | H6 | 119.9° | 119.9° |
| C16 | C20 | H7 | 120.9° | 119.8° |
| C11 | C12 | C10 | 116.3° | 119.2° |
| C11 | C12 | C17 | 116.1° | 120.0° |
| C07 | C05 | C10 | 123.2° | 119.7° |
| C05 | C07 | C14 | 122.1° | 119.6° |
| C05 | C10 | C12 | 123.0° | 119.3° |
| C05 | C10 | C15 | 116.8° | 120.3° |
| C07 | C14 | C18 | 116.4° | 120.9° |
| C07 | C14 | H4 | 121.8° | 119.6° |
| C20 | C19 | C17 | 121.8° | 120.0° |
| C20 | C19 | O02 | 120.2° | 120.0° |
| C19 | C20 | H7 | 120.8° | 119.9° |
| C10 | C12 | C17 | 127.6° | 120.7° |
| C12 | C10 | C15 | 120.2° | 120.4° |
| C12 | C17 | C19 | 120.6° | 119.6° |
| C12 | C17 | O01 | 126.4° | 120.2° |
| C10 | C15 | C18 | 119.9° | 119.7° |
| C10 | C15 | H5 | 120.0° | 120.2° |
| C14 | C18 | C15 | 121.6° | 119.9° |
| C18 | C14 | H4 | 121.8° | 119.5° |
| C14 | C18 | H15 | 119.3° | 120.0° |
| C17 | C19 | O02 | 118.0° | 120.1° |
| C19 | C17 | O01 | 113.0° | 120.2° |
| C19 | O02 | H9 | 109.5° | 114.0° |
| C17 | O01 | H8 | 109.5° | 114.0° |
| C18 | C15 | H5 | 120.0° | 120.2° |
| C15 | C18 | H15 | 119.2° | 120.1° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.2° |
| H13 | C09 | H14 | 109.5° | 108.7° |
| H10 | C06 | H16 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N03 | C04 | C06 | 7.3° | 56.4° |
| C13 | N03 | C04 | C08 | 179.4° | 123.7° |
| C13 | N03 | C04 | C05 | 165.8° | 177.9° |
| C13 | N03 | C08 | C09 | 165.3° | 169.9° |
| N03 | C13 | H1 | H2 | 120.0° | 120.0° |
| N03 | C13 | H1 | H3 | 120.0° | 120.0° |
| N03 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | N03 | C08 | H11 | 73.6° | 49.6° |
| C13 | N03 | C08 | H12 | 44.2° | 69.7° |
| C13 | N03 | C04 | H17 | 93.6° | 62.6° |
| C04 | C06 | C11 | H10 | 120.8° | 120.3° |
| C04 | C06 | C11 | H16 | 120.8° | 120.2° |
| C06 | C04 | N03 | C05 | 158.5° | 121.4° |
| C06 | C04 | N03 | H17 | 100.9° | 119.0° |
| C06 | C04 | N03 | C08 | 173.3° | 179.9° |
| C06 | C04 | C05 | H17 | 100.6° | 120.1° |
| C04 | C06 | C11 | C16 | 178.8° | 144.0° |
| C04 | C06 | C11 | C12 | 1.0° | 37.3° |
| C06 | C04 | C05 | C07 | 178.5° | 145.4° |
| C06 | C04 | C05 | C10 | 1.7° | 35.2° |
| C04 | C06 | H10 | H16 | 117.6° | 119.4° |
| C11 | C06 | C04 | N03 | 156.4° | 172.1° |
| C11 | C06 | C04 | C05 | 1.9° | 51.7° |
| C06 | C11 | C16 | C12 | 179.8° | 178.7° |
| C06 | C11 | C16 | C20 | 179.8° | 177.9° |
| C06 | C11 | C12 | C10 | 0.3° | 2.8° |
| C06 | C11 | C12 | C17 | 179.8° | 177.6° |
| C06 | C11 | C16 | H6 | 0.2° | 2.0° |
| C11 | C06 | H10 | H16 | 117.6° | 119.5° |
| C11 | C06 | C04 | H17 | 102.5° | 68.6° |
| N03 | C04 | C05 | H17 | 100.7° | 119.6° |
| C04 | N03 | C08 | C09 | 14.1° | 66.5° |
| N03 | C04 | C05 | C07 | 22.8° | 25.1° |
| N03 | C04 | C05 | C10 | 157.1° | 155.5° |
| C04 | N03 | C13 | H1 | 180.0° | 60.0° |
| C04 | N03 | C13 | H2 | 60.0° | 180.0° |
| C04 | N03 | C13 | H3 | 60.0° | 60.0° |
| C04 | N03 | C08 | H11 | 106.9° | 173.2° |
| C04 | N03 | C08 | H12 | 135.2° | 53.9° |
| N03 | C04 | C06 | H10 | 82.8° | 51.7° |
| N03 | C04 | C06 | H16 | 35.6° | 67.7° |
| C08 | N03 | C04 | C05 | 14.8° | 58.4° |
| N03 | C08 | C09 | H11 | 121.1° | 120.3° |
| N03 | C08 | C09 | H12 | 121.1° | 120.4° |
| N03 | C08 | C09 | C07 | 32.3° | 37.3° |
| C08 | N03 | C13 | H1 | 0.6° | 63.5° |
| C08 | N03 | C13 | H2 | 120.6° | 56.5° |
| C08 | N03 | C13 | H3 | 119.4° | 176.5° |
| N03 | C08 | H11 | H12 | 116.7° | 119.4° |
| N03 | C08 | C09 | H13 | 152.2° | 158.2° |
| N03 | C08 | C09 | H14 | 87.6° | 83.4° |
| C08 | N03 | C04 | H17 | 85.8° | 61.1° |
| C04 | C05 | C07 | C09 | 0.2° | 0.9° |
| C04 | C05 | C07 | C10 | 179.9° | 179.4° |
| C04 | C05 | C07 | C14 | 179.9° | 179.9° |
| C04 | C05 | C10 | C12 | 0.3° | 0.5° |
| C04 | C05 | C10 | C15 | 179.7° | 178.7° |
| C05 | C04 | C06 | H10 | 118.8° | 68.6° |
| C05 | C04 | C06 | H16 | 122.7° | 171.9° |
| C08 | C09 | C07 | H13 | 119.9° | 120.8° |
| C08 | C09 | C07 | H14 | 119.9° | 120.8° |
| C08 | C09 | C07 | C05 | 27.0° | 5.0° |
| C08 | C09 | C07 | C14 | 152.8° | 174.0° |
| C09 | C08 | H11 | H12 | 116.7° | 119.3° |
| C08 | C09 | H13 | H14 | 120.3° | 118.5° |
| C09 | C07 | C05 | C14 | 179.7° | 179.0° |
| C09 | C07 | C05 | C10 | 179.7° | 178.5° |
| C09 | C07 | C14 | C18 | 179.4° | 178.0° |
| C09 | C07 | C14 | H4 | 0.6° | 2.0° |
| C07 | C09 | C08 | H11 | 88.8° | 157.6° |
| C07 | C09 | C08 | H12 | 153.4° | 83.1° |
| C07 | C09 | H13 | H14 | 120.3° | 118.5° |
| C11 | C16 | C20 | H6 | 180.0° | 180.0° |
| C11 | C16 | C20 | C19 | 0.2° | 0.0° |
| C16 | C11 | C12 | C10 | 179.9° | 178.5° |
| C16 | C11 | C12 | C17 | 0.0° | 1.1° |
| C11 | C16 | C20 | H7 | 179.8° | 180.0° |
| C16 | C11 | C06 | H10 | 60.4° | 95.7° |
| C16 | C11 | C06 | H16 | 58.0° | 23.8° |
| C20 | C16 | C11 | C12 | 0.0° | 0.8° |
| C16 | C20 | C19 | H7 | 180.0° | 180.0° |
| C16 | C20 | C19 | C17 | 0.4° | 0.4° |
| C16 | C20 | C19 | O02 | 179.3° | 179.6° |
| C11 | C12 | C10 | C05 | 0.7° | 17.2° |
| C11 | C12 | C10 | C17 | 179.9° | 179.6° |
| C11 | C12 | C10 | C15 | 179.3° | 163.6° |
| C11 | C12 | C17 | C19 | 0.2° | 0.7° |
| C11 | C12 | C17 | O01 | 179.5° | 179.3° |
| C12 | C11 | C16 | H6 | 180.0° | 179.3° |
| C12 | C11 | C06 | H10 | 119.7° | 83.0° |
| C12 | C11 | C06 | H16 | 121.8° | 157.5° |
| C07 | C05 | C10 | C12 | 179.9° | 179.9° |
| C07 | C05 | C10 | C15 | 0.1° | 0.7° |
| C05 | C07 | C14 | C18 | 0.3° | 1.1° |
| C05 | C07 | C14 | H4 | 179.7° | 179.0° |
| C05 | C07 | C09 | H13 | 146.9° | 125.9° |
| C05 | C07 | C09 | H14 | 92.9° | 115.8° |
| C07 | C05 | C04 | H17 | 77.9° | 94.5° |
| C10 | C05 | C07 | C14 | 0.0° | 0.5° |
| C05 | C10 | C12 | C15 | 180.0° | 179.2° |
| C05 | C10 | C12 | C17 | 179.4° | 162.4° |
| C05 | C10 | C15 | C18 | 0.1° | 1.3° |
| C05 | C10 | C15 | H5 | 180.0° | 178.7° |
| C10 | C05 | C04 | H17 | 102.2° | 85.0° |
| C07 | C14 | C18 | H4 | 180.0° | 180.0° |
| C07 | C14 | C18 | C15 | 0.5° | 0.5° |
| C14 | C07 | C09 | H13 | 32.9° | 53.2° |
| C14 | C07 | C09 | H14 | 87.3° | 65.2° |
| C07 | C14 | C18 | H15 | 179.5° | 179.5° |
| C20 | C19 | C17 | C12 | 0.4° | 0.1° |
| C20 | C19 | C17 | O02 | 178.9° | 180.0° |
| C20 | C19 | C17 | O01 | 179.3° | 180.0° |
| C19 | C20 | C16 | H6 | 179.8° | 180.0° |
| C20 | C19 | O02 | H9 | 180.0° | 90.1° |
| C10 | C12 | C17 | C19 | 179.7° | 178.9° |
| C10 | C12 | C17 | O01 | 0.6° | 1.1° |
| C12 | C10 | C15 | C18 | 179.9° | 179.5° |
| C12 | C10 | C15 | H5 | 0.0° | 0.5° |
| C17 | C12 | C10 | C15 | 0.6° | 16.8° |
| C12 | C17 | C19 | O01 | 179.7° | 179.9° |
| C12 | C17 | C19 | O02 | 179.3° | 179.9° |
| C12 | C17 | O01 | H8 | 180.0° | 90.0° |
| C10 | C15 | C18 | C14 | 0.4° | 0.7° |
| C10 | C15 | C18 | H5 | 180.0° | 180.0° |
| C10 | C15 | C18 | H15 | 179.6° | 179.3° |
| C14 | C18 | C15 | H15 | 180.0° | 180.0° |
| C14 | C18 | C15 | H5 | 179.7° | 179.3° |
| C17 | C19 | C20 | H7 | 179.6° | 179.6° |
| C19 | C17 | O01 | H8 | 0.3° | 90.1° |
| C17 | C19 | O02 | H9 | 1.1° | 89.9° |
| O02 | C19 | C17 | O01 | 0.4° | 0.0° |
| O02 | C19 | C20 | H7 | 0.8° | 0.4° |
| C15 | C18 | C14 | H4 | 179.5° | 179.6° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H4 | C14 | C18 | H15 | 0.5° | 0.4° |
| H5 | C15 | C18 | H15 | 0.4° | 0.7° |
| H6 | C16 | C20 | H7 | 0.2° | 0.0° |
| H11 | C08 | C09 | H13 | 31.1° | 81.5° |
| H11 | C08 | C09 | H14 | 151.3° | 36.9° |
| H12 | C08 | C09 | H13 | 86.8° | 37.7° |
| H12 | C08 | C09 | H14 | 33.5° | 156.2° |
| H10 | C06 | C04 | H17 | 18.2° | 171.0° |
| H16 | C06 | C04 | H17 | 136.7° | 51.6° |
