9RL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C09 | sing | 1.53Å | 1.53Å | |
| C02 | O23 | sing | 1.43Å | 1.40Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C09 | N18 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N18 | N22 | sing | 1.40Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.34Å | 1.30Å | Aromatic |
| C14 | CL1 | sing | 1.74Å | 1.79Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C21 | doub | 1.31Å | 1.32Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N20 | doub | 1.31Å | 1.33Å | Aromatic |
| C21 | N20 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| O23 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 120.3° | 120.0° |
| C06 | C07 | C08 | 119.8° | 120.0° |
| C07 | C06 | H13 | 119.8° | 120.0° |
| C06 | C07 | H14 | 120.1° | 120.0° |
| C06 | C05 | C04 | 119.9° | 120.0° |
| C06 | C05 | H12 | 120.1° | 120.0° |
| C05 | C06 | H13 | 119.8° | 120.0° |
| C07 | C08 | C03 | 119.7° | 120.0° |
| C08 | C07 | H14 | 120.1° | 119.9° |
| C07 | C08 | H15 | 120.1° | 120.1° |
| C05 | C04 | C03 | 119.7° | 120.0° |
| C05 | C04 | H11 | 120.1° | 120.0° |
| C04 | C05 | H12 | 120.1° | 120.0° |
| C08 | C03 | C04 | 120.5° | 120.0° |
| C08 | C03 | C02 | 119.9° | 120.0° |
| C03 | C08 | H15 | 120.1° | 119.9° |
| C04 | C03 | C02 | 119.5° | 120.0° |
| C03 | C04 | H11 | 120.1° | 120.0° |
| C03 | C02 | C01 | 110.0° | 109.5° |
| C03 | C02 | C09 | 106.9° | 109.5° |
| C03 | C02 | O23 | 109.9° | 109.5° |
| C01 | C02 | C09 | 110.4° | 109.4° |
| C01 | C02 | O23 | 109.6° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C09 | C02 | O23 | 110.0° | 109.5° |
| C02 | C09 | C10 | 111.8° | 109.5° |
| C02 | C09 | N18 | 110.2° | 109.4° |
| C02 | C09 | H16 | 108.1° | 109.4° |
| C02 | O23 | H18 | 109.5° | 114.0° |
| C13 | C12 | C11 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C13 | C12 | H3 | 120.0° | 120.0° |
| C12 | C13 | H4 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | C16 | 120.0° | 120.0° |
| C11 | C12 | H3 | 120.0° | 120.0° |
| C09 | C10 | C11 | 113.0° | 109.5° |
| C10 | C09 | N18 | 109.4° | 109.5° |
| C09 | C10 | H1 | 108.6° | 109.5° |
| C09 | C10 | H2 | 108.6° | 109.5° |
| C10 | C09 | H16 | 108.0° | 109.5° |
| C10 | C11 | C16 | 120.1° | 120.0° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C11 | C10 | H2 | 108.6° | 109.5° |
| C09 | N18 | N22 | 125.7° | 126.8° |
| C09 | N18 | C19 | 124.8° | 126.9° |
| N18 | C09 | H16 | 109.1° | 109.5° |
| C13 | C14 | CL1 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | H4 | 119.9° | 120.0° |
| C11 | C16 | C15 | 120.1° | 120.0° |
| C11 | C16 | H6 | 119.9° | 120.0° |
| N22 | N18 | C19 | 109.4° | 106.3° |
| N18 | N22 | C21 | 107.5° | 106.8° |
| N18 | C19 | N20 | 107.0° | 108.1° |
| N18 | C19 | H7 | 126.5° | 125.9° |
| CL1 | C14 | C15 | 120.0° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C14 | C15 | H5 | 120.0° | 120.0° |
| N22 | C21 | N20 | 107.2° | 109.0° |
| N22 | C21 | H17 | 126.4° | 125.5° |
| C16 | C15 | H5 | 120.0° | 120.0° |
| C15 | C16 | H6 | 120.0° | 120.0° |
| C19 | N20 | C21 | 108.8° | 109.8° |
| N20 | C19 | H7 | 126.5° | 126.0° |
| N20 | C21 | H17 | 126.4° | 125.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H13 | 180.0° | 179.8° |
| C06 | C07 | C08 | H14 | 180.0° | 179.7° |
| C07 | C06 | C05 | C04 | 0.0° | 0.0° |
| C06 | C07 | C08 | C03 | 0.3° | 0.6° |
| C07 | C06 | C05 | H12 | 180.0° | 179.9° |
| C06 | C07 | C08 | H15 | 179.7° | 180.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.3° |
| C06 | C05 | C04 | H12 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.3° | 0.0° |
| C06 | C05 | C04 | H11 | 179.7° | 180.0° |
| C05 | C06 | C07 | H14 | 180.0° | 180.0° |
| C07 | C08 | C03 | H15 | 180.0° | 179.4° |
| C07 | C08 | C03 | C04 | 0.5° | 0.6° |
| C07 | C08 | C03 | C02 | 179.6° | 179.6° |
| C08 | C07 | C06 | H13 | 180.0° | 180.0° |
| C05 | C04 | C03 | C08 | 0.5° | 0.3° |
| C05 | C04 | C03 | H11 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.6° | 179.9° |
| C04 | C05 | C06 | H13 | 180.0° | 179.7° |
| C08 | C03 | C04 | C02 | 179.1° | 179.8° |
| C08 | C03 | C02 | C01 | 37.0° | 138.8° |
| C08 | C03 | C02 | C09 | 82.8° | 101.2° |
| C08 | C03 | C02 | O23 | 157.8° | 18.8° |
| C08 | C03 | C04 | H11 | 179.5° | 179.7° |
| C03 | C08 | C07 | H14 | 179.8° | 179.7° |
| C04 | C03 | C02 | C01 | 143.9° | 41.4° |
| C04 | C03 | C02 | C09 | 96.2° | 78.6° |
| C04 | C03 | C02 | O23 | 23.2° | 161.4° |
| C03 | C04 | C05 | H12 | 179.7° | 179.9° |
| C04 | C03 | C08 | H15 | 179.5° | 180.0° |
| C03 | C02 | C01 | C09 | 117.7° | 120.0° |
| C03 | C02 | C01 | O23 | 120.9° | 120.0° |
| C03 | C02 | C09 | O23 | 119.3° | 120.0° |
| C03 | C02 | C09 | C10 | 78.3° | 179.5° |
| C03 | C02 | C09 | N18 | 159.7° | 59.5° |
| C03 | C02 | C01 | H8 | 180.0° | 60.0° |
| C03 | C02 | C01 | H9 | 60.0° | 60.1° |
| C03 | C02 | C01 | H10 | 60.0° | 180.0° |
| C02 | C03 | C04 | H11 | 0.4° | 0.0° |
| C02 | C03 | C08 | H15 | 0.4° | 0.2° |
| C03 | C02 | C09 | H16 | 40.5° | 60.4° |
| C03 | C02 | O23 | H18 | 180.0° | 60.0° |
| C01 | C02 | C09 | O23 | 121.1° | 120.0° |
| C01 | C02 | C09 | C10 | 162.1° | 59.5° |
| C01 | C02 | C09 | N18 | 40.1° | 60.4° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 119.9° |
| C01 | C02 | C09 | H16 | 79.1° | 179.6° |
| C01 | C02 | O23 | H18 | 59.0° | 179.9° |
| C02 | C09 | C10 | N18 | 122.4° | 120.0° |
| C02 | C09 | C10 | H16 | 118.9° | 120.0° |
| C02 | C09 | C10 | C11 | 178.2° | 175.0° |
| C02 | C09 | N18 | H16 | 118.6° | 120.0° |
| C02 | C09 | N18 | N22 | 100.8° | 96.4° |
| C02 | C09 | N18 | C19 | 79.5° | 83.6° |
| C02 | C09 | C10 | H1 | 57.7° | 65.0° |
| C02 | C09 | C10 | H2 | 61.3° | 55.0° |
| C09 | C02 | C01 | H8 | 62.3° | 60.0° |
| C09 | C02 | C01 | H9 | 57.7° | 179.9° |
| C09 | C02 | C01 | H10 | 177.7° | 60.0° |
| C09 | C02 | O23 | H18 | 62.6° | 60.0° |
| O23 | C02 | C09 | C10 | 41.1° | 60.5° |
| O23 | C02 | C09 | N18 | 80.9° | 179.6° |
| O23 | C02 | C01 | H8 | 59.0° | 180.0° |
| O23 | C02 | C01 | H9 | 179.1° | 59.9° |
| O23 | C02 | C01 | H10 | 60.9° | 60.0° |
| O23 | C02 | C09 | H16 | 159.9° | 59.6° |
| C13 | C12 | C11 | H3 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 180.0° | 180.0° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.1° | 0.1° |
| C12 | C13 | C14 | CL1 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C12 | C11 | C10 | C09 | 69.8° | 90.0° |
| C12 | C11 | C10 | C16 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.1° |
| C12 | C11 | C10 | H1 | 169.6° | 30.0° |
| C12 | C11 | C10 | H2 | 50.7° | 149.9° |
| C11 | C12 | C13 | H4 | 179.9° | 179.9° |
| C12 | C11 | C16 | H6 | 179.9° | 180.0° |
| C09 | C10 | C11 | H1 | 120.5° | 120.0° |
| C09 | C10 | C11 | H2 | 120.5° | 120.0° |
| C10 | C09 | N18 | H16 | 118.0° | 120.1° |
| C09 | C10 | C11 | C16 | 110.3° | 90.0° |
| C10 | C09 | N18 | N22 | 135.8° | 143.6° |
| C10 | C09 | N18 | C19 | 43.9° | 36.4° |
| C09 | C10 | H1 | H2 | 118.4° | 120.0° |
| C11 | C10 | C09 | N18 | 55.8° | 65.0° |
| C10 | C11 | C16 | C15 | 179.9° | 180.0° |
| C11 | C10 | H1 | H2 | 118.4° | 119.9° |
| C10 | C11 | C12 | H3 | 0.0° | 0.2° |
| C10 | C11 | C16 | H6 | 0.1° | 0.0° |
| C11 | C10 | C09 | H16 | 62.9° | 55.0° |
| C09 | N18 | N22 | C19 | 179.8° | 180.0° |
| C09 | N18 | N22 | C21 | 179.7° | 179.8° |
| C09 | N18 | C19 | N20 | 179.7° | 180.0° |
| N18 | C09 | C10 | H1 | 64.7° | 55.0° |
| N18 | C09 | C10 | H2 | 176.3° | 175.0° |
| C09 | N18 | C19 | H7 | 0.3° | 0.3° |
| C13 | C14 | CL1 | C15 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C12 | H3 | 179.9° | 179.8° |
| C13 | C14 | C15 | H5 | 180.0° | 179.9° |
| C11 | C16 | C15 | C14 | 0.0° | 0.1° |
| C11 | C16 | C15 | H6 | 180.0° | 179.9° |
| C16 | C11 | C10 | H1 | 10.2° | 150.0° |
| C16 | C11 | C10 | H2 | 129.2° | 30.0° |
| C16 | C11 | C12 | H3 | 179.9° | 179.7° |
| C11 | C16 | C15 | H5 | 180.0° | 180.0° |
| N22 | N18 | C19 | N20 | 0.0° | 0.0° |
| N18 | N22 | C21 | N20 | 0.0° | 0.3° |
| N22 | N18 | C19 | H7 | 180.0° | 179.7° |
| N22 | N18 | C09 | H16 | 17.8° | 23.5° |
| N18 | N22 | C21 | H17 | 180.0° | 180.0° |
| C19 | N18 | N22 | C21 | 0.0° | 0.2° |
| N18 | C19 | N20 | H7 | 180.0° | 179.7° |
| N18 | C19 | N20 | C21 | 0.1° | 0.2° |
| C19 | N18 | C09 | H16 | 161.9° | 156.5° |
| CL1 | C14 | C15 | C16 | 180.0° | 180.0° |
| CL1 | C14 | C13 | H4 | 0.1° | 0.0° |
| CL1 | C14 | C15 | H5 | 0.0° | 0.1° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C15 | C14 | C13 | H4 | 180.0° | 179.9° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| N22 | C21 | N20 | C19 | 0.0° | 0.3° |
| N22 | C21 | N20 | H17 | 180.0° | 179.7° |
| C19 | N20 | C21 | H17 | 179.9° | 180.0° |
| C21 | N20 | C19 | H7 | 179.9° | 179.9° |
| H1 | C10 | C09 | H16 | 176.5° | 175.0° |
| H2 | C10 | C09 | H16 | 57.6° | 65.0° |
| H3 | C12 | C13 | H4 | 0.1° | 0.3° |
| H5 | C15 | C16 | H6 | 0.0° | 0.1° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C04 | C05 | H12 | 0.3° | 0.1° |
| H12 | C05 | C06 | H13 | 0.0° | 0.2° |
| H13 | C06 | C07 | H14 | 0.0° | 0.3° |
| H14 | C07 | C08 | H15 | 0.2° | 0.3° |
