V32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.47Å | 1.53Å | |
| C03 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | O10 | sing | 1.43Å | 1.41Å | |
| C05 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.54Å | |
| C12 | N07 | sing | 1.47Å | 1.44Å | |
| O10 | C09 | sing | 1.43Å | 1.42Å | |
| C06 | N07 | sing | 1.35Å | 1.47Å | |
| C06 | O13 | doub | 1.22Å | 1.18Å | |
| N07 | C08 | sing | 1.47Å | 1.44Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C01 | O1 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 121.0° | 120.1° |
| C01 | C02 | C15 | 118.8° | 120.0° |
| C02 | C01 | H1 | 122.1° | 120.0° |
| C02 | C01 | O1 | 115.8° | 119.9° |
| C02 | C03 | C04 | 120.3° | 120.0° |
| C03 | C02 | C15 | 120.1° | 119.9° |
| C02 | C03 | H4 | 119.8° | 120.0° |
| C03 | C04 | C05 | 119.5° | 120.0° |
| C04 | C03 | H4 | 119.8° | 120.0° |
| C03 | C04 | H5 | 120.2° | 120.0° |
| C02 | C15 | C14 | 119.6° | 119.9° |
| C02 | C15 | H15 | 120.2° | 120.0° |
| C04 | C05 | C14 | 119.9° | 120.0° |
| C04 | C05 | C06 | 120.1° | 120.0° |
| C05 | C04 | H5 | 120.3° | 119.9° |
| C15 | C14 | C05 | 120.4° | 120.1° |
| C15 | C14 | H14 | 119.8° | 120.0° |
| C14 | C15 | H15 | 120.2° | 120.1° |
| C12 | C11 | O10 | 110.6° | 109.2° |
| C11 | C12 | N07 | 110.9° | 108.4° |
| C12 | C11 | H10 | 109.2° | 109.5° |
| C12 | C11 | H11 | 109.2° | 109.4° |
| C11 | C12 | H12 | 109.2° | 109.6° |
| C11 | C12 | H13 | 109.1° | 109.7° |
| C11 | O10 | C09 | 113.3° | 114.2° |
| O10 | C11 | H10 | 109.2° | 109.6° |
| O10 | C11 | H11 | 109.2° | 109.5° |
| C14 | C05 | C06 | 119.9° | 120.0° |
| C05 | C14 | H14 | 119.8° | 120.0° |
| C05 | C06 | N07 | 120.3° | 120.0° |
| C05 | C06 | O13 | 119.1° | 120.0° |
| C12 | N07 | C06 | 125.3° | 121.0° |
| C12 | N07 | C08 | 109.8° | 118.0° |
| N07 | C12 | H12 | 109.1° | 109.7° |
| N07 | C12 | H13 | 109.1° | 109.7° |
| O10 | C09 | C08 | 114.9° | 109.2° |
| O10 | C09 | H8 | 108.1° | 109.5° |
| O10 | C09 | H9 | 108.1° | 109.6° |
| N07 | C06 | O13 | 120.6° | 120.0° |
| C06 | N07 | C08 | 124.9° | 121.0° |
| N07 | C08 | C09 | 114.1° | 108.4° |
| N07 | C08 | H6 | 108.3° | 109.7° |
| N07 | C08 | H7 | 108.3° | 109.7° |
| C09 | C08 | H6 | 108.3° | 109.7° |
| C09 | C08 | H7 | 108.3° | 109.7° |
| C08 | C09 | H8 | 108.1° | 109.5° |
| C08 | C09 | H9 | 108.1° | 109.5° |
| H1 | C01 | O1 | 122.1° | 120.0° |
| H6 | C08 | H7 | 109.5° | 109.7° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.6° |
| H12 | C12 | H13 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C15 | 179.9° | 179.7° |
| C01 | C02 | C03 | C04 | 180.0° | 180.0° |
| C01 | C02 | C15 | C14 | 179.9° | 179.7° |
| C02 | C01 | H1 | O1 | 180.0° | 179.8° |
| C01 | C02 | C03 | H4 | 0.0° | 0.0° |
| C01 | C02 | C15 | H15 | 0.1° | 0.0° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.4° | 0.0° |
| C03 | C02 | C15 | C14 | 0.2° | 0.6° |
| C03 | C02 | C01 | H1 | 151.7° | 0.3° |
| C02 | C03 | C04 | H5 | 179.6° | 180.0° |
| C03 | C02 | C15 | H15 | 179.8° | 179.8° |
| C03 | C02 | C01 | O1 | 28.3° | 180.0° |
| C04 | C03 | C02 | C15 | 0.1° | 0.2° |
| C03 | C04 | C05 | H5 | 180.0° | 179.9° |
| C03 | C04 | C05 | C14 | 0.8° | 0.0° |
| C03 | C04 | C05 | C06 | 180.0° | 180.0° |
| C02 | C15 | C14 | H15 | 180.0° | 179.7° |
| C02 | C15 | C14 | C05 | 0.2° | 0.6° |
| C15 | C02 | C01 | H1 | 28.2° | 180.0° |
| C15 | C02 | C03 | H4 | 179.8° | 179.8° |
| C02 | C15 | C14 | H14 | 179.8° | 179.8° |
| C15 | C02 | C01 | O1 | 151.8° | 0.2° |
| C04 | C05 | C14 | C15 | 0.7° | 0.3° |
| C04 | C05 | C14 | C06 | 179.2° | 180.0° |
| C04 | C05 | C06 | N07 | 118.2° | 141.5° |
| C04 | C05 | C06 | O13 | 62.1° | 38.6° |
| C05 | C04 | C03 | H4 | 179.7° | 179.9° |
| C04 | C05 | C14 | H14 | 179.3° | 180.0° |
| C15 | C14 | C05 | H14 | 180.0° | 179.7° |
| C15 | C14 | C05 | C06 | 179.9° | 179.7° |
| C12 | C11 | O10 | H10 | 120.2° | 119.9° |
| C12 | C11 | O10 | H11 | 120.2° | 119.8° |
| C11 | C12 | N07 | H12 | 120.2° | 119.7° |
| C11 | C12 | N07 | H13 | 120.2° | 119.7° |
| C12 | C11 | O10 | C09 | 53.8° | 62.6° |
| C11 | C12 | N07 | C06 | 121.9° | 129.5° |
| C11 | C12 | N07 | C08 | 58.0° | 50.5° |
| C12 | C11 | H10 | H11 | 119.5° | 120.1° |
| C11 | C12 | H12 | H13 | 119.4° | 120.5° |
| O10 | C11 | C12 | N07 | 61.5° | 52.3° |
| C11 | O10 | C09 | C08 | 45.0° | 62.6° |
| C11 | O10 | C09 | H8 | 165.7° | 57.3° |
| C11 | O10 | C09 | H9 | 75.9° | 177.5° |
| O10 | C11 | H10 | H11 | 119.5° | 120.2° |
| O10 | C11 | C12 | H12 | 178.3° | 172.0° |
| O10 | C11 | C12 | H13 | 58.7° | 67.5° |
| C14 | C05 | C06 | N07 | 62.5° | 38.5° |
| C14 | C05 | C06 | O13 | 117.1° | 141.4° |
| C14 | C05 | C04 | H5 | 179.2° | 180.0° |
| C05 | C14 | C15 | H15 | 179.8° | 179.8° |
| C05 | C06 | N07 | C12 | 0.4° | 5.9° |
| C05 | C06 | N07 | O13 | 179.6° | 179.9° |
| C05 | C06 | N07 | C08 | 179.6° | 174.2° |
| C06 | C05 | C04 | H5 | 0.0° | 0.0° |
| C06 | C05 | C14 | H14 | 0.1° | 0.0° |
| C12 | N07 | C06 | C08 | 180.0° | 179.9° |
| C12 | N07 | C06 | O13 | 179.9° | 174.2° |
| C12 | N07 | C08 | C09 | 48.7° | 50.5° |
| C12 | N07 | C08 | H6 | 169.4° | 69.2° |
| C12 | N07 | C08 | H7 | 72.0° | 170.2° |
| N07 | C12 | C11 | H10 | 178.3° | 172.2° |
| N07 | C12 | C11 | H11 | 58.7° | 67.6° |
| N07 | C12 | H12 | H13 | 119.3° | 120.6° |
| O10 | C09 | C08 | N07 | 42.5° | 52.3° |
| O10 | C09 | C08 | H8 | 120.8° | 119.9° |
| O10 | C09 | C08 | H9 | 120.8° | 120.0° |
| O10 | C09 | C08 | H6 | 163.2° | 67.4° |
| O10 | C09 | C08 | H7 | 78.2° | 172.0° |
| O10 | C09 | H8 | H9 | 117.5° | 120.2° |
| C09 | O10 | C11 | H10 | 174.0° | 177.5° |
| C09 | O10 | C11 | H11 | 66.4° | 57.3° |
| C06 | N07 | C08 | C09 | 131.3° | 129.4° |
| C06 | N07 | C08 | H6 | 10.6° | 110.8° |
| C06 | N07 | C08 | H7 | 108.0° | 9.7° |
| C06 | N07 | C12 | H12 | 1.7° | 9.7° |
| C06 | N07 | C12 | H13 | 117.9° | 110.8° |
| O13 | C06 | N07 | C08 | 0.0° | 5.7° |
| N07 | C08 | C09 | H6 | 120.7° | 119.7° |
| N07 | C08 | C09 | H7 | 120.7° | 119.7° |
| N07 | C08 | H6 | H7 | 117.9° | 120.5° |
| N07 | C08 | C09 | H8 | 163.3° | 67.6° |
| N07 | C08 | C09 | H9 | 78.3° | 172.3° |
| C08 | N07 | C12 | H12 | 178.3° | 170.2° |
| C08 | N07 | C12 | H13 | 62.2° | 69.3° |
| C09 | C08 | H6 | H7 | 117.8° | 120.5° |
| C08 | C09 | H8 | H9 | 117.5° | 120.1° |
| H4 | C03 | C04 | H5 | 0.3° | 0.0° |
| H6 | C08 | C09 | H8 | 76.0° | 172.6° |
| H6 | C08 | C09 | H9 | 42.4° | 52.5° |
| H7 | C08 | C09 | H8 | 42.6° | 52.1° |
| H7 | C08 | C09 | H9 | 161.0° | 68.0° |
| H10 | C11 | C12 | H12 | 58.1° | 68.0° |
| H10 | C11 | C12 | H13 | 61.5° | 52.5° |
| H11 | C11 | C12 | H12 | 61.5° | 52.2° |
| H11 | C11 | C12 | H13 | 178.9° | 172.7° |
| H14 | C14 | C15 | H15 | 0.2° | 0.1° |
