O50
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C12 | doub | 1.32Å | 1.31Å | Aromatic |
| N11 | C10 | sing | 1.32Å | 1.31Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.54Å | |
| C07 | N06 | doub | 1.33Å | 1.32Å | Aromatic |
| C07 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| N06 | C05 | sing | 1.32Å | 1.32Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C15 | sing | 1.51Å | 1.53Å | |
| N26 | C27 | doub | 1.32Å | 1.32Å | Aromatic |
| N26 | C25 | sing | 1.33Å | 1.32Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| N18 | C19 | sing | 1.39Å | 1.45Å | |
| N18 | C16 | sing | 1.35Å | 1.45Å | |
| C19 | N20 | doub | 1.32Å | 1.31Å | Aromatic |
| C22 | C25 | sing | 1.48Å | 1.52Å | |
| C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C25 | C30 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | O17 | doub | 1.21Å | 1.18Å | |
| C28 | N29 | doub | 1.32Å | 1.32Å | Aromatic |
| N20 | C21 | sing | 1.32Å | 1.32Å | Aromatic |
| C30 | N29 | sing | 1.32Å | 1.32Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.08Å | 1.08Å | |
| C05 | H17 | sing | 1.08Å | 1.08Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| N18 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N11 | C10 | 121.4° | 122.1° |
| N11 | C12 | C13 | 120.3° | 120.8° |
| N11 | C12 | H1 | 119.8° | 119.6° |
| N11 | C10 | C14 | 119.1° | 119.6° |
| N11 | C10 | C09 | 121.4° | 120.8° |
| C12 | C13 | C08 | 120.5° | 119.1° |
| C13 | C12 | H1 | 119.9° | 119.6° |
| C12 | C13 | H2 | 119.7° | 120.4° |
| C14 | C10 | C09 | 119.5° | 119.6° |
| C10 | C14 | H3 | 109.5° | 109.5° |
| C10 | C14 | H4 | 109.5° | 109.4° |
| C10 | C14 | H5 | 109.5° | 109.4° |
| C10 | C09 | C08 | 119.3° | 119.1° |
| C10 | C09 | H18 | 120.3° | 120.5° |
| C13 | C08 | C09 | 117.1° | 118.1° |
| C13 | C08 | C07 | 116.8° | 120.9° |
| C08 | C13 | H2 | 119.8° | 120.5° |
| C09 | C08 | C07 | 126.1° | 121.0° |
| C08 | C09 | H18 | 120.3° | 120.5° |
| C08 | C07 | N06 | 115.2° | 119.7° |
| C08 | C07 | C02 | 126.5° | 119.8° |
| N06 | C07 | C02 | 118.3° | 120.5° |
| C07 | N06 | C05 | 124.0° | 121.6° |
| C07 | C02 | C01 | 125.0° | 120.5° |
| C07 | C02 | C03 | 119.5° | 119.1° |
| N06 | C05 | C04 | 120.0° | 120.9° |
| N06 | C05 | H17 | 120.0° | 119.6° |
| C05 | C04 | C03 | 119.1° | 119.3° |
| C05 | C04 | C15 | 121.4° | 120.3° |
| C04 | C05 | H17 | 120.0° | 119.5° |
| C01 | C02 | C03 | 115.5° | 120.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C02 | C01 | H14 | 109.5° | 109.4° |
| C02 | C01 | H15 | 109.4° | 109.5° |
| C02 | C03 | C04 | 119.1° | 118.5° |
| C02 | C03 | H16 | 120.5° | 120.8° |
| C03 | C04 | C15 | 119.6° | 120.4° |
| C04 | C03 | H16 | 120.4° | 120.7° |
| C04 | C15 | C16 | 113.9° | 109.5° |
| C04 | C15 | H6 | 108.4° | 109.5° |
| C04 | C15 | H7 | 108.4° | 109.5° |
| C27 | N26 | C25 | 118.8° | 119.9° |
| N26 | C27 | C28 | 120.7° | 120.1° |
| N26 | C27 | H11 | 119.6° | 119.9° |
| N26 | C25 | C22 | 119.7° | 120.1° |
| N26 | C25 | C30 | 121.3° | 119.8° |
| C27 | C28 | N29 | 119.6° | 120.2° |
| C28 | C27 | H11 | 119.7° | 120.0° |
| C27 | C28 | H12 | 120.2° | 119.9° |
| C23 | C24 | C19 | 120.5° | 119.2° |
| C24 | C23 | C22 | 116.6° | 118.4° |
| C24 | C23 | H9 | 121.7° | 120.8° |
| C23 | C24 | H10 | 119.7° | 120.3° |
| C24 | C19 | N18 | 118.3° | 119.5° |
| C24 | C19 | N20 | 120.6° | 120.9° |
| C19 | C24 | H10 | 119.7° | 120.4° |
| C23 | C22 | C25 | 119.3° | 120.4° |
| C23 | C22 | C21 | 120.2° | 119.1° |
| C22 | C23 | H9 | 121.7° | 120.8° |
| C19 | N18 | C16 | 123.0° | 120.0° |
| N18 | C19 | N20 | 121.1° | 119.6° |
| C19 | N18 | H20 | 118.5° | 120.0° |
| N18 | C16 | C15 | 118.5° | 120.0° |
| N18 | C16 | O17 | 121.9° | 120.0° |
| C16 | N18 | H20 | 118.5° | 120.0° |
| C19 | N20 | C21 | 121.0° | 121.7° |
| C25 | C22 | C21 | 120.5° | 120.5° |
| C22 | C25 | C30 | 119.0° | 120.1° |
| C22 | C21 | N20 | 121.0° | 120.7° |
| C22 | C21 | H8 | 119.5° | 119.7° |
| C15 | C16 | O17 | 119.6° | 120.0° |
| C16 | C15 | H6 | 108.3° | 109.4° |
| C16 | C15 | H7 | 108.4° | 109.5° |
| C25 | C30 | N29 | 119.2° | 119.8° |
| C25 | C30 | H19 | 120.4° | 120.1° |
| C28 | N29 | C30 | 120.4° | 120.1° |
| N29 | C28 | H12 | 120.2° | 119.9° |
| N20 | C21 | H8 | 119.5° | 119.6° |
| N29 | C30 | H19 | 120.4° | 120.1° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H3 | C14 | H5 | 109.4° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C12 | C13 | H1 | 180.0° | 179.7° |
| C12 | N11 | C10 | C14 | 180.0° | 179.8° |
| C12 | N11 | C10 | C09 | 0.3° | 0.0° |
| N11 | C12 | C13 | C08 | 0.0° | 0.3° |
| N11 | C12 | C13 | H2 | 179.9° | 179.7° |
| C10 | N11 | C12 | C13 | 0.1° | 0.0° |
| N11 | C10 | C14 | C09 | 179.7° | 179.7° |
| N11 | C10 | C09 | C08 | 0.5° | 0.3° |
| C10 | N11 | C12 | H1 | 179.9° | 179.7° |
| N11 | C10 | C14 | H3 | 0.0° | 90.3° |
| N11 | C10 | C14 | H4 | 120.0° | 29.7° |
| N11 | C10 | C14 | H5 | 120.0° | 149.7° |
| N11 | C10 | C09 | H18 | 179.5° | 179.8° |
| C12 | C13 | C08 | H2 | 180.0° | 180.0° |
| C12 | C13 | C08 | C09 | 0.2° | 0.5° |
| C12 | C13 | C08 | C07 | 179.6° | 180.0° |
| C14 | C10 | C09 | C08 | 179.8° | 180.0° |
| C10 | C14 | H3 | H4 | 120.0° | 120.0° |
| C10 | C14 | H3 | H5 | 120.0° | 119.9° |
| C10 | C14 | H4 | H5 | 120.0° | 119.9° |
| C14 | C10 | C09 | H18 | 0.2° | 0.0° |
| C10 | C09 | C08 | C13 | 0.4° | 0.5° |
| C10 | C09 | C08 | H18 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 179.4° | 180.0° |
| C09 | C10 | C14 | H3 | 179.7° | 90.0° |
| C09 | C10 | C14 | H4 | 59.7° | 150.0° |
| C09 | C10 | C14 | H5 | 60.3° | 30.0° |
| C13 | C08 | C09 | C07 | 179.9° | 179.5° |
| C13 | C08 | C07 | N06 | 24.0° | 135.5° |
| C13 | C08 | C07 | C02 | 153.7° | 44.0° |
| C08 | C13 | C12 | H1 | 180.0° | 180.0° |
| C13 | C08 | C09 | H18 | 179.6° | 179.5° |
| C09 | C08 | C07 | N06 | 156.2° | 44.0° |
| C09 | C08 | C07 | C02 | 26.2° | 136.5° |
| C09 | C08 | C13 | H2 | 179.7° | 179.5° |
| C08 | C07 | N06 | C02 | 177.8° | 179.5° |
| C08 | C07 | N06 | C05 | 179.0° | 180.0° |
| C08 | C07 | C02 | C01 | 1.8° | 0.3° |
| C08 | C07 | C02 | C03 | 178.8° | 180.0° |
| C07 | C08 | C13 | H2 | 0.4° | 0.0° |
| C07 | C08 | C09 | H18 | 0.6° | 0.0° |
| C07 | N06 | C05 | C04 | 0.6° | 0.3° |
| N06 | C07 | C02 | C01 | 179.4° | 179.8° |
| N06 | C07 | C02 | C03 | 1.2° | 0.6° |
| C07 | N06 | C05 | H17 | 179.5° | 179.7° |
| C02 | C07 | N06 | C05 | 1.2° | 0.6° |
| C07 | C02 | C01 | C03 | 179.4° | 179.6° |
| C07 | C02 | C03 | C04 | 0.6° | 0.3° |
| C07 | C02 | C01 | H13 | 89.6° | 85.4° |
| C07 | C02 | C01 | H14 | 150.3° | 34.5° |
| C07 | C02 | C01 | H15 | 30.4° | 154.6° |
| C07 | C02 | C03 | H16 | 179.4° | 179.8° |
| N06 | C05 | C04 | H17 | 180.0° | 180.0° |
| N06 | C05 | C04 | C03 | 0.1° | 0.0° |
| N06 | C05 | C04 | C15 | 179.6° | 179.9° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | C15 | 179.5° | 179.9° |
| C05 | C04 | C15 | C16 | 49.6° | 90.1° |
| C05 | C04 | C15 | H6 | 71.0° | 150.0° |
| C05 | C04 | C15 | H7 | 170.3° | 29.9° |
| C05 | C04 | C03 | H16 | 179.9° | 180.0° |
| C01 | C02 | C03 | C04 | 180.0° | 179.9° |
| C02 | C01 | H13 | H14 | 120.0° | 119.9° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 119.9° | 120.0° |
| C01 | C02 | C03 | H16 | 0.0° | 0.1° |
| C02 | C03 | C04 | H16 | 180.0° | 180.0° |
| C02 | C03 | C04 | C15 | 179.5° | 179.9° |
| C03 | C02 | C01 | H13 | 89.8° | 94.9° |
| C03 | C02 | C01 | H14 | 30.3° | 145.1° |
| C03 | C02 | C01 | H15 | 150.2° | 25.1° |
| C03 | C04 | C15 | C16 | 130.9° | 90.0° |
| C03 | C04 | C15 | H6 | 108.5° | 30.0° |
| C03 | C04 | C15 | H7 | 10.2° | 150.0° |
| C03 | C04 | C05 | H17 | 179.9° | 180.0° |
| C04 | C15 | C16 | N18 | 107.3° | 180.0° |
| C04 | C15 | C16 | H6 | 120.7° | 120.0° |
| C04 | C15 | C16 | H7 | 120.7° | 120.0° |
| C04 | C15 | C16 | O17 | 72.6° | 0.0° |
| C04 | C15 | H6 | H7 | 118.0° | 120.0° |
| C15 | C04 | C03 | H16 | 0.4° | 0.0° |
| C15 | C04 | C05 | H17 | 0.4° | 0.0° |
| N26 | C27 | C28 | H11 | 180.0° | 179.8° |
| C27 | N26 | C25 | C22 | 179.8° | 180.0° |
| C27 | N26 | C25 | C30 | 0.2° | 0.2° |
| N26 | C27 | C28 | N29 | 0.1° | 0.2° |
| N26 | C27 | C28 | H12 | 179.9° | 179.8° |
| C25 | N26 | C27 | C28 | 0.1° | 0.0° |
| N26 | C25 | C22 | C23 | 147.9° | 4.8° |
| N26 | C25 | C22 | C30 | 179.6° | 179.8° |
| N26 | C25 | C22 | C21 | 32.2° | 175.3° |
| N26 | C25 | C30 | N29 | 0.2° | 0.2° |
| C25 | N26 | C27 | H11 | 180.0° | 179.8° |
| N26 | C25 | C30 | H19 | 179.8° | 179.7° |
| C27 | C28 | N29 | H12 | 180.0° | 180.0° |
| C27 | C28 | N29 | C30 | 0.1° | 0.3° |
| C23 | C24 | C19 | H10 | 180.0° | 179.9° |
| C24 | C23 | C22 | H9 | 180.0° | 179.9° |
| C23 | C24 | C19 | N18 | 179.8° | 179.7° |
| C23 | C24 | C19 | N20 | 0.2° | 0.0° |
| C24 | C23 | C22 | C25 | 179.9° | 179.9° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C19 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C19 | N18 | N20 | 179.6° | 179.7° |
| C24 | C19 | N18 | C16 | 175.2° | 174.7° |
| C24 | C19 | N20 | C21 | 0.3° | 0.1° |
| C19 | C24 | C23 | H9 | 179.9° | 180.0° |
| C24 | C19 | N18 | H20 | 4.8° | 5.3° |
| C23 | C22 | C25 | C21 | 179.9° | 180.0° |
| C23 | C22 | C25 | C30 | 31.7° | 175.0° |
| C23 | C22 | C21 | N20 | 0.1° | 0.1° |
| C23 | C22 | C21 | H8 | 179.9° | 180.0° |
| C22 | C23 | C24 | H10 | 180.0° | 179.9° |
| C19 | N18 | C16 | H20 | 180.0° | 179.9° |
| C19 | N18 | C16 | C15 | 179.8° | 175.0° |
| C19 | N18 | C16 | O17 | 0.3° | 5.1° |
| N18 | C19 | N20 | C21 | 179.9° | 179.7° |
| N18 | C19 | C24 | H10 | 0.2° | 0.2° |
| C16 | N18 | C19 | N20 | 5.1° | 5.7° |
| N18 | C16 | C15 | O17 | 179.9° | 179.9° |
| N18 | C16 | C15 | H6 | 13.4° | 60.0° |
| N18 | C16 | C15 | H7 | 132.1° | 60.0° |
| C19 | N20 | C21 | C22 | 0.2° | 0.1° |
| C19 | N20 | C21 | H8 | 179.8° | 180.0° |
| N20 | C19 | C24 | H10 | 179.8° | 179.9° |
| N20 | C19 | N18 | H20 | 174.9° | 174.4° |
| C25 | C22 | C21 | N20 | 179.8° | 179.9° |
| C22 | C25 | C30 | N29 | 179.8° | 180.0° |
| C25 | C22 | C21 | H8 | 0.2° | 0.1° |
| C25 | C22 | C23 | H9 | 0.1° | 0.0° |
| C22 | C25 | C30 | H19 | 0.2° | 0.1° |
| C21 | C22 | C25 | C30 | 148.2° | 4.9° |
| C22 | C21 | N20 | H8 | 180.0° | 179.9° |
| C21 | C22 | C23 | H9 | 180.0° | 180.0° |
| C16 | C15 | H6 | H7 | 118.0° | 120.0° |
| C15 | C16 | N18 | H20 | 0.2° | 5.0° |
| C25 | C30 | N29 | C28 | 0.0° | 0.1° |
| C25 | C30 | N29 | H19 | 180.0° | 179.9° |
| O17 | C16 | C15 | H6 | 166.7° | 120.0° |
| O17 | C16 | C15 | H7 | 48.1° | 120.0° |
| O17 | C16 | N18 | H20 | 179.7° | 174.9° |
| N29 | C28 | C27 | H11 | 179.9° | 180.0° |
| C28 | N29 | C30 | H19 | 180.0° | 180.0° |
| C30 | N29 | C28 | H12 | 179.9° | 179.7° |
| H1 | C12 | C13 | H2 | 0.1° | 0.0° |
| H3 | C14 | H4 | H5 | 120.0° | 120.1° |
| H9 | C23 | C24 | H10 | 0.0° | 0.0° |
| H11 | C27 | C28 | H12 | 0.1° | 0.1° |
| H13 | C01 | H14 | H15 | 120.0° | 120.1° |
