T60
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O03 | sing | 1.45Å | 1.40Å | |
| O03 | C04 | sing | 1.35Å | 1.40Å | |
| O05 | C04 | doub | 1.22Å | 1.18Å | |
| C04 | C06 | sing | 1.48Å | 1.53Å | |
| C06 | C27 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.46Å | |
| N10 | C11 | sing | 1.35Å | 1.46Å | |
| O12 | C11 | doub | 1.22Å | 1.18Å | |
| C11 | N13 | sing | 1.35Å | 1.45Å | |
| N13 | C14 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C25 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N19 | sing | 1.40Å | 1.32Å | |
| N23 | N19 | sing | 1.40Å | 1.36Å | Aromatic |
| N23 | C22 | doub | 1.31Å | 1.32Å | Aromatic |
| N19 | C20 | sing | 1.35Å | 1.32Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.35Å | 1.38Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| N10 | H19 | sing | 0.97Å | 1.00Å | |
| N13 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 109.1° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C01 | C02 | H10 | 109.6° | 109.5° |
| C01 | C02 | H11 | 109.6° | 109.4° |
| C02 | O03 | C04 | 113.2° | 117.0° |
| O03 | C02 | H10 | 109.6° | 109.5° |
| O03 | C02 | H11 | 109.5° | 109.5° |
| O03 | C04 | O05 | 119.9° | 120.0° |
| O03 | C04 | C06 | 120.4° | 120.0° |
| O05 | C04 | C06 | 119.7° | 120.0° |
| C04 | C06 | C27 | 120.1° | 120.1° |
| C04 | C06 | C07 | 119.8° | 120.0° |
| C27 | C06 | C07 | 120.1° | 119.9° |
| C06 | C27 | C26 | 119.8° | 119.9° |
| C06 | C27 | H18 | 120.1° | 120.0° |
| C06 | C07 | C08 | 120.0° | 119.9° |
| C06 | C07 | H12 | 120.0° | 120.1° |
| C27 | C26 | C09 | 120.5° | 120.0° |
| C27 | C26 | H6 | 119.8° | 120.0° |
| C26 | C27 | H18 | 120.1° | 120.0° |
| C07 | C08 | C09 | 120.1° | 120.0° |
| C08 | C07 | H12 | 120.0° | 120.0° |
| C07 | C08 | H13 | 120.0° | 120.0° |
| C26 | C09 | C08 | 119.5° | 120.2° |
| C26 | C09 | N10 | 119.1° | 119.9° |
| C09 | C26 | H6 | 119.8° | 120.0° |
| C08 | C09 | N10 | 121.3° | 119.9° |
| C09 | C08 | H13 | 119.9° | 120.0° |
| C09 | N10 | C11 | 124.1° | 120.0° |
| C09 | N10 | H19 | 117.9° | 120.0° |
| N10 | C11 | O12 | 121.6° | 120.0° |
| N10 | C11 | N13 | 119.0° | 120.0° |
| C11 | N10 | H19 | 118.0° | 120.0° |
| O12 | C11 | N13 | 119.4° | 120.0° |
| C11 | N13 | C14 | 120.2° | 120.0° |
| C11 | N13 | H20 | 119.9° | 119.9° |
| N13 | C14 | C15 | 108.3° | 109.4° |
| N13 | C14 | H14 | 109.8° | 109.5° |
| N13 | C14 | H15 | 109.8° | 109.4° |
| C14 | N13 | H20 | 119.9° | 120.1° |
| C14 | C15 | C25 | 119.2° | 119.9° |
| C14 | C15 | C16 | 120.8° | 119.9° |
| C15 | C14 | H14 | 109.8° | 109.5° |
| C15 | C14 | H15 | 109.7° | 109.5° |
| C15 | C25 | C24 | 120.1° | 120.1° |
| C25 | C15 | C16 | 120.0° | 120.2° |
| C15 | C25 | H17 | 119.9° | 119.9° |
| C25 | C24 | C18 | 119.9° | 119.9° |
| C25 | C24 | H5 | 120.0° | 120.0° |
| C24 | C25 | H17 | 119.9° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C24 | C18 | C17 | 120.0° | 119.9° |
| C24 | C18 | N19 | 119.4° | 120.1° |
| C18 | C24 | H5 | 120.0° | 120.1° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | H1 | 120.0° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C17 | C18 | N19 | 120.6° | 120.1° |
| C18 | C17 | H1 | 120.0° | 120.0° |
| C18 | N19 | N23 | 124.8° | 126.0° |
| C18 | N19 | C20 | 125.5° | 126.1° |
| N19 | N23 | C22 | 108.4° | 108.2° |
| N23 | N19 | C20 | 109.7° | 107.9° |
| N23 | C22 | C21 | 107.8° | 108.2° |
| N23 | C22 | H4 | 126.1° | 125.9° |
| N19 | C20 | C21 | 107.0° | 107.7° |
| N19 | C20 | H2 | 126.5° | 126.1° |
| C22 | C21 | C20 | 107.0° | 107.9° |
| C22 | C21 | H3 | 126.5° | 126.0° |
| C21 | C22 | H4 | 126.1° | 125.9° |
| C21 | C20 | H2 | 126.5° | 126.1° |
| C20 | C21 | H3 | 126.5° | 126.1° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C02 | H11 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | H10 | 119.9° | 120.1° |
| C01 | C02 | O03 | H11 | 119.9° | 119.9° |
| C01 | C02 | O03 | C04 | 104.8° | 180.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | H10 | H11 | 120.2° | 119.9° |
| C02 | O03 | C04 | O05 | 28.6° | 0.0° |
| C02 | O03 | C04 | C06 | 151.4° | 179.9° |
| O03 | C02 | C01 | H7 | 180.0° | 60.0° |
| O03 | C02 | C01 | H8 | 60.0° | 59.9° |
| O03 | C02 | C01 | H9 | 60.0° | 180.0° |
| O03 | C02 | H10 | H11 | 120.2° | 120.0° |
| O03 | C04 | O05 | C06 | 180.0° | 179.9° |
| O03 | C04 | C06 | C27 | 9.0° | 180.0° |
| O03 | C04 | C06 | C07 | 170.8° | 0.0° |
| C04 | O03 | C02 | H10 | 15.1° | 59.9° |
| C04 | O03 | C02 | H11 | 135.2° | 60.0° |
| O05 | C04 | C06 | C27 | 171.0° | 0.0° |
| O05 | C04 | C06 | C07 | 9.2° | 179.9° |
| C04 | C06 | C27 | C07 | 179.7° | 180.0° |
| C04 | C06 | C27 | C26 | 179.8° | 180.0° |
| C04 | C06 | C07 | C08 | 180.0° | 179.7° |
| C04 | C06 | C07 | H12 | 0.0° | 0.0° |
| C04 | C06 | C27 | H18 | 0.2° | 0.1° |
| C06 | C27 | C26 | H18 | 180.0° | 179.9° |
| C27 | C06 | C07 | C08 | 0.2° | 0.3° |
| C06 | C27 | C26 | C09 | 0.2° | 0.0° |
| C06 | C27 | C26 | H6 | 179.8° | 179.7° |
| C27 | C06 | C07 | H12 | 179.8° | 180.0° |
| C07 | C06 | C27 | C26 | 0.1° | 0.0° |
| C06 | C07 | C08 | H12 | 180.0° | 179.7° |
| C06 | C07 | C08 | C09 | 0.6° | 0.6° |
| C06 | C07 | C08 | H13 | 179.4° | 180.0° |
| C07 | C06 | C27 | H18 | 179.9° | 179.9° |
| C27 | C26 | C09 | H6 | 180.0° | 179.7° |
| C27 | C26 | C09 | C08 | 0.6° | 0.3° |
| C27 | C26 | C09 | N10 | 179.5° | 179.7° |
| C07 | C08 | C09 | C26 | 0.7° | 0.6° |
| C07 | C08 | C09 | H13 | 180.0° | 179.5° |
| C07 | C08 | C09 | N10 | 179.7° | 179.4° |
| C26 | C09 | C08 | N10 | 178.9° | 180.0° |
| C26 | C09 | N10 | C11 | 143.8° | 146.4° |
| C26 | C09 | C08 | H13 | 179.3° | 180.0° |
| C09 | C26 | C27 | H18 | 179.8° | 179.9° |
| C26 | C09 | N10 | H19 | 36.2° | 33.5° |
| C08 | C09 | N10 | C11 | 37.3° | 33.6° |
| C08 | C09 | C26 | H6 | 179.4° | 180.0° |
| C09 | C08 | C07 | H12 | 179.4° | 179.7° |
| C08 | C09 | N10 | H19 | 142.7° | 146.5° |
| C09 | N10 | C11 | H19 | 180.0° | 179.9° |
| C09 | N10 | C11 | O12 | 0.1° | 5.3° |
| C09 | N10 | C11 | N13 | 180.0° | 174.7° |
| N10 | C09 | C26 | H6 | 0.5° | 0.0° |
| N10 | C09 | C08 | H13 | 0.4° | 0.1° |
| N10 | C11 | O12 | N13 | 179.9° | 180.0° |
| N10 | C11 | N13 | C14 | 179.8° | 180.0° |
| N10 | C11 | N13 | H20 | 0.2° | 0.0° |
| O12 | C11 | N13 | C14 | 0.3° | 0.0° |
| O12 | C11 | N10 | H19 | 179.9° | 174.6° |
| O12 | C11 | N13 | H20 | 179.7° | 180.0° |
| C11 | N13 | C14 | H20 | 180.0° | 180.0° |
| C11 | N13 | C14 | C15 | 102.7° | 180.0° |
| C11 | N13 | C14 | H14 | 17.1° | 60.0° |
| C11 | N13 | C14 | H15 | 137.5° | 60.0° |
| N13 | C11 | N10 | H19 | 0.0° | 5.4° |
| N13 | C14 | C15 | H14 | 119.8° | 120.0° |
| N13 | C14 | C15 | H15 | 119.8° | 119.9° |
| N13 | C14 | C15 | C25 | 16.3° | 90.3° |
| N13 | C14 | C15 | C16 | 163.6° | 90.0° |
| N13 | C14 | H14 | H15 | 120.5° | 120.0° |
| C14 | C15 | C25 | C16 | 179.8° | 179.7° |
| C14 | C15 | C25 | C24 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 179.8° | 180.0° |
| C15 | C14 | H14 | H15 | 120.5° | 120.0° |
| C14 | C15 | C16 | H16 | 0.2° | 0.0° |
| C14 | C15 | C25 | H17 | 0.1° | 0.3° |
| C15 | C14 | N13 | H20 | 77.3° | 0.0° |
| C15 | C25 | C24 | H17 | 180.0° | 180.0° |
| C15 | C25 | C24 | C18 | 0.0° | 0.5° |
| C25 | C15 | C16 | C17 | 0.1° | 0.3° |
| C15 | C25 | C24 | H5 | 180.0° | 179.7° |
| C25 | C15 | C14 | H14 | 136.1° | 29.7° |
| C25 | C15 | C14 | H15 | 103.6° | 149.7° |
| C25 | C15 | C16 | H16 | 179.9° | 179.7° |
| C24 | C25 | C15 | C16 | 0.0° | 0.0° |
| C25 | C24 | C18 | H5 | 180.0° | 179.2° |
| C25 | C24 | C18 | C17 | 0.2° | 0.8° |
| C25 | C24 | C18 | N19 | 179.7° | 179.2° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H1 | 179.7° | 179.9° |
| C16 | C15 | C14 | H14 | 43.8° | 150.0° |
| C16 | C15 | C14 | H15 | 76.6° | 29.9° |
| C16 | C15 | C25 | H17 | 180.0° | 180.0° |
| C24 | C18 | C17 | C16 | 0.3° | 0.6° |
| C24 | C18 | C17 | N19 | 179.5° | 180.0° |
| C24 | C18 | N19 | N23 | 35.2° | 0.5° |
| C24 | C18 | N19 | C20 | 144.5° | 180.0° |
| C24 | C18 | C17 | H1 | 179.7° | 179.5° |
| C18 | C24 | C25 | H17 | 180.0° | 179.5° |
| C16 | C17 | C18 | H1 | 180.0° | 179.9° |
| C16 | C17 | C18 | N19 | 179.8° | 179.4° |
| C17 | C18 | N19 | N23 | 144.3° | 179.5° |
| C17 | C18 | N19 | C20 | 36.0° | 0.0° |
| C17 | C18 | C24 | H5 | 179.8° | 180.0° |
| C18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C18 | N19 | N23 | C20 | 179.7° | 179.5° |
| C18 | N19 | N23 | C22 | 179.9° | 180.0° |
| C18 | N19 | C20 | C21 | 179.9° | 180.0° |
| N19 | C18 | C17 | H1 | 0.2° | 0.5° |
| C18 | N19 | C20 | H2 | 0.1° | 0.3° |
| N19 | C18 | C24 | H5 | 0.3° | 0.0° |
| N19 | N23 | C22 | C21 | 0.0° | 0.2° |
| N23 | N19 | C20 | C21 | 0.2° | 0.5° |
| N23 | N19 | C20 | H2 | 179.8° | 179.9° |
| N19 | N23 | C22 | H4 | 180.0° | 179.7° |
| C22 | N23 | N19 | C20 | 0.2° | 0.4° |
| N23 | C22 | C21 | H4 | 180.0° | 180.0° |
| N23 | C22 | C21 | C20 | 0.1° | 0.0° |
| N23 | C22 | C21 | H3 | 179.9° | 180.0° |
| N19 | C20 | C21 | C22 | 0.2° | 0.3° |
| N19 | C20 | C21 | H2 | 180.0° | 179.7° |
| N19 | C20 | C21 | H3 | 179.8° | 179.7° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C22 | C21 | C20 | H2 | 179.8° | 180.0° |
| C20 | C21 | C22 | H4 | 179.9° | 180.0° |
| H1 | C17 | C16 | H16 | 0.3° | 0.1° |
| H2 | C20 | C21 | H3 | 0.1° | 0.1° |
| H3 | C21 | C22 | H4 | 0.1° | 0.0° |
| H5 | C24 | C25 | H17 | 0.0° | 0.3° |
| H6 | C26 | C27 | H18 | 0.3° | 0.2° |
| H7 | C01 | H8 | H9 | 119.9° | 120.1° |
| H7 | C01 | C02 | H10 | 60.1° | 60.0° |
| H7 | C01 | C02 | H11 | 60.1° | 180.0° |
| H8 | C01 | C02 | H10 | 59.9° | 180.0° |
| H8 | C01 | C02 | H11 | 179.9° | 60.0° |
| H9 | C01 | C02 | H10 | 179.9° | 60.0° |
| H9 | C01 | C02 | H11 | 59.9° | 60.0° |
| H12 | C07 | C08 | H13 | 0.6° | 0.3° |
| H14 | C14 | N13 | H20 | 162.9° | 120.0° |
| H15 | C14 | N13 | H20 | 42.5° | 120.0° |
