Q0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C14 | sing | 1.38Å | 1.43Å | |
| N16 | C14 | doub | 1.33Å | 1.35Å | Aromatic |
| N16 | C17 | sing | 1.32Å | 1.33Å | Aromatic |
| C14 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.43Å | 1.53Å | |
| C11 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| N18 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | N13 | trip | 1.14Å | 1.13Å | |
| C10 | C09 | sing | 1.48Å | 1.52Å | |
| C09 | C19 | sing | 1.41Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | N20 | doub | 1.31Å | 1.36Å | Aromatic |
| C08 | N07 | sing | 1.35Å | 1.34Å | Aromatic |
| N20 | N07 | sing | 1.40Å | 1.35Å | Aromatic |
| N07 | C06 | sing | 1.47Å | 1.43Å | |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C02 | C06 | sing | 1.51Å | 1.50Å | |
| C02 | O03 | sing | 1.34Å | 1.39Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C04 | O03 | sing | 1.45Å | 1.40Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| N15 | H10 | sing | 0.97Å | 1.00Å | |
| N15 | H11 | sing | 0.97Å | 1.00Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C14 | N16 | 119.4° | 120.6° |
| N15 | C14 | C11 | 121.4° | 120.6° |
| C14 | N15 | H10 | 109.5° | 120.0° |
| C14 | N15 | H11 | 109.5° | 119.9° |
| C14 | N16 | C17 | 120.8° | 121.2° |
| N16 | C14 | C11 | 119.1° | 118.8° |
| N16 | C17 | N18 | 122.0° | 122.4° |
| N16 | C17 | H1 | 119.0° | 118.8° |
| C14 | C11 | C12 | 119.6° | 121.1° |
| C14 | C11 | C10 | 117.7° | 117.9° |
| C17 | N18 | C10 | 121.8° | 121.0° |
| N18 | C17 | H1 | 119.0° | 118.8° |
| C12 | C11 | C10 | 122.7° | 121.0° |
| C11 | C12 | N13 | 179.1° | 179.9° |
| C11 | C10 | N18 | 118.5° | 118.8° |
| C11 | C10 | C09 | 123.7° | 120.6° |
| N18 | C10 | C09 | 117.7° | 120.6° |
| C10 | C09 | C19 | 123.6° | 126.4° |
| C10 | C09 | C08 | 128.6° | 126.4° |
| C19 | C09 | C08 | 107.8° | 107.3° |
| C09 | C19 | N20 | 107.2° | 108.1° |
| C09 | C19 | H12 | 126.4° | 126.0° |
| C09 | C08 | N07 | 106.7° | 107.4° |
| C09 | C08 | H9 | 126.7° | 126.3° |
| C19 | N20 | N07 | 107.6° | 108.8° |
| N20 | C19 | H12 | 126.4° | 126.0° |
| C08 | N07 | N20 | 110.8° | 108.4° |
| C08 | N07 | C06 | 124.8° | 125.8° |
| N07 | C08 | H9 | 126.7° | 126.3° |
| N20 | N07 | C06 | 124.3° | 125.8° |
| N07 | C06 | C02 | 105.5° | 109.5° |
| N07 | C06 | H7 | 110.5° | 109.4° |
| N07 | C06 | H8 | 110.5° | 109.5° |
| O01 | C02 | C06 | 119.3° | 120.0° |
| O01 | C02 | O03 | 118.8° | 120.0° |
| C06 | C02 | O03 | 121.9° | 120.0° |
| C02 | C06 | H7 | 110.4° | 109.5° |
| C02 | C06 | H8 | 110.4° | 109.5° |
| C02 | O03 | C04 | 112.3° | 117.0° |
| C05 | C04 | O03 | 108.5° | 109.5° |
| C05 | C04 | H2 | 109.7° | 109.4° |
| C05 | C04 | H3 | 109.7° | 109.5° |
| C04 | C05 | H4 | 109.5° | 109.5° |
| C04 | C05 | H5 | 109.5° | 109.5° |
| C04 | C05 | H6 | 109.4° | 109.4° |
| O03 | C04 | H2 | 109.7° | 109.5° |
| O03 | C04 | H3 | 109.7° | 109.5° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H4 | C05 | H6 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.5° | 109.5° |
| H10 | N15 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C14 | N16 | C11 | 179.2° | 180.0° |
| N15 | C14 | N16 | C17 | 179.1° | 180.0° |
| N15 | C14 | C11 | C12 | 1.6° | 0.1° |
| N15 | C14 | C11 | C10 | 179.6° | 180.0° |
| C14 | N15 | H10 | H11 | 120.0° | 179.9° |
| C14 | N16 | C17 | N18 | 0.5° | 0.2° |
| N16 | C14 | C11 | C12 | 179.3° | 180.0° |
| N16 | C14 | C11 | C10 | 1.3° | 0.0° |
| C14 | N16 | C17 | H1 | 179.5° | 179.8° |
| N16 | C14 | N15 | H10 | 0.0° | 180.0° |
| N16 | C14 | N15 | H11 | 120.0° | 0.0° |
| C17 | N16 | C14 | C11 | 0.1° | 0.0° |
| N16 | C17 | N18 | H1 | 180.0° | 179.6° |
| N16 | C17 | N18 | C10 | 0.5° | 0.5° |
| C14 | C11 | C12 | C10 | 177.9° | 179.9° |
| C14 | C11 | C10 | N18 | 2.2° | 0.2° |
| C14 | C11 | C12 | N13 | 46.3° | 18.1° |
| C14 | C11 | C10 | C09 | 179.4° | 180.0° |
| C11 | C14 | N15 | H10 | 179.1° | 0.1° |
| C11 | C14 | N15 | H11 | 59.1° | 180.0° |
| C17 | N18 | C10 | C11 | 1.9° | 0.4° |
| C17 | N18 | C10 | C09 | 179.3° | 179.8° |
| C12 | C11 | C10 | N18 | 179.9° | 179.7° |
| C12 | C11 | C10 | C09 | 2.6° | 0.0° |
| C11 | C10 | N18 | C09 | 177.4° | 179.8° |
| C10 | C11 | C12 | N13 | 135.8° | 161.8° |
| C11 | C10 | C09 | C19 | 167.8° | 35.1° |
| C11 | C10 | C09 | C08 | 10.9° | 145.0° |
| N18 | C10 | C09 | C19 | 9.4° | 144.7° |
| N18 | C10 | C09 | C08 | 171.9° | 35.2° |
| C10 | N18 | C17 | H1 | 179.5° | 180.0° |
| C10 | C09 | C19 | C08 | 178.9° | 179.9° |
| C10 | C09 | C19 | N20 | 179.3° | 179.8° |
| C10 | C09 | C08 | N07 | 179.3° | 179.9° |
| C10 | C09 | C08 | H9 | 0.7° | 0.1° |
| C10 | C09 | C19 | H12 | 0.7° | 0.1° |
| C09 | C19 | N20 | H12 | 180.0° | 179.7° |
| C19 | C09 | C08 | N07 | 0.4° | 0.0° |
| C09 | C19 | N20 | N07 | 0.1° | 0.4° |
| C19 | C09 | C08 | H9 | 179.6° | 180.0° |
| C08 | C09 | C19 | N20 | 0.3° | 0.3° |
| C09 | C08 | N07 | H9 | 180.0° | 180.0° |
| C09 | C08 | N07 | N20 | 0.4° | 0.2° |
| C09 | C08 | N07 | C06 | 178.9° | 179.9° |
| C08 | C09 | C19 | H12 | 179.7° | 180.0° |
| C19 | N20 | N07 | C08 | 0.2° | 0.4° |
| C19 | N20 | N07 | C06 | 178.7° | 179.9° |
| C08 | N07 | N20 | C06 | 178.5° | 179.7° |
| C08 | N07 | C06 | C02 | 92.8° | 125.0° |
| C08 | N07 | C06 | H7 | 147.8° | 5.0° |
| C08 | N07 | C06 | H8 | 26.5° | 114.9° |
| N20 | N07 | C06 | C02 | 85.4° | 55.3° |
| N20 | N07 | C06 | H7 | 33.9° | 175.3° |
| N20 | N07 | C06 | H8 | 155.2° | 64.7° |
| N20 | N07 | C08 | H9 | 179.6° | 179.8° |
| N07 | N20 | C19 | H12 | 179.9° | 179.9° |
| N07 | C06 | C02 | O01 | 38.8° | 0.0° |
| N07 | C06 | C02 | H7 | 119.4° | 119.9° |
| N07 | C06 | C02 | H8 | 119.4° | 120.0° |
| N07 | C06 | C02 | O03 | 140.5° | 180.0° |
| N07 | C06 | H7 | H8 | 121.9° | 120.0° |
| C06 | N07 | C08 | H9 | 1.2° | 0.0° |
| O01 | C02 | C06 | O03 | 179.2° | 180.0° |
| O01 | C02 | O03 | C04 | 17.9° | 0.0° |
| O01 | C02 | C06 | H7 | 158.1° | 119.9° |
| O01 | C02 | C06 | H8 | 80.6° | 120.0° |
| C06 | C02 | O03 | C04 | 162.9° | 180.0° |
| C02 | C06 | H7 | H8 | 121.8° | 120.1° |
| C02 | O03 | C04 | C05 | 102.5° | 180.0° |
| C02 | O03 | C04 | H2 | 17.3° | 60.1° |
| C02 | O03 | C04 | H3 | 137.6° | 60.0° |
| O03 | C02 | C06 | H7 | 21.1° | 60.0° |
| O03 | C02 | C06 | H8 | 100.2° | 60.0° |
| C05 | C04 | O03 | H2 | 119.8° | 120.0° |
| C05 | C04 | O03 | H3 | 119.8° | 120.0° |
| C05 | C04 | H2 | H3 | 120.5° | 120.0° |
| C04 | C05 | H4 | H5 | 120.0° | 120.0° |
| C04 | C05 | H4 | H6 | 120.0° | 120.0° |
| C04 | C05 | H5 | H6 | 120.0° | 120.0° |
| O03 | C04 | H2 | H3 | 120.5° | 120.0° |
| O03 | C04 | C05 | H4 | 180.0° | 180.0° |
| O03 | C04 | C05 | H5 | 60.0° | 60.0° |
| O03 | C04 | C05 | H6 | 60.0° | 60.0° |
| H2 | C04 | C05 | H4 | 60.1° | 60.0° |
| H2 | C04 | C05 | H5 | 59.9° | 180.0° |
| H2 | C04 | C05 | H6 | 179.9° | 60.0° |
| H3 | C04 | C05 | H4 | 60.2° | 60.0° |
| H3 | C04 | C05 | H5 | 179.8° | 60.0° |
| H3 | C04 | C05 | H6 | 59.8° | 180.0° |
| H4 | C05 | H5 | H6 | 120.0° | 120.0° |
