HMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.37Å | Aromatic |
| C05 | N09 | sing | 1.38Å | 1.36Å | Aromatic |
| C04 | C07 | sing | 1.47Å | 1.46Å | Aromatic |
| N09 | C08 | sing | 1.39Å | 1.36Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.37Å | Aromatic |
| C07 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | O14 | sing | 1.36Å | 1.40Å | |
| C15 | O14 | sing | 1.43Å | 1.40Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| N17 | C19 | sing | 1.47Å | 1.45Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| N09 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 119.1° | 120.5° |
| C01 | C02 | C03 | 120.6° | 120.3° |
| C02 | C01 | H5 | 120.4° | 119.7° |
| C01 | C02 | H6 | 119.7° | 119.9° |
| C01 | C06 | C05 | 120.2° | 120.0° |
| C06 | C01 | H5 | 120.4° | 119.7° |
| C01 | C06 | H8 | 119.9° | 119.9° |
| C02 | C03 | C04 | 120.0° | 119.8° |
| C03 | C02 | H6 | 119.7° | 119.8° |
| C02 | C03 | H7 | 120.0° | 120.1° |
| C06 | C05 | C04 | 120.7° | 119.4° |
| C06 | C05 | N09 | 131.2° | 132.3° |
| C05 | C06 | H8 | 119.9° | 120.0° |
| C03 | C04 | C05 | 119.4° | 120.0° |
| C03 | C04 | C07 | 134.2° | 133.5° |
| C04 | C03 | H7 | 120.0° | 120.1° |
| C04 | C05 | N09 | 108.2° | 108.3° |
| C05 | C04 | C07 | 106.3° | 106.6° |
| C05 | N09 | C08 | 110.8° | 110.3° |
| C05 | N09 | H18 | 124.6° | 124.9° |
| C04 | C07 | C08 | 106.7° | 106.5° |
| C04 | C07 | C10 | 133.2° | 133.4° |
| N09 | C08 | C07 | 108.0° | 108.3° |
| N09 | C08 | C13 | 130.5° | 132.2° |
| C08 | N09 | H18 | 124.6° | 124.9° |
| C08 | C07 | C10 | 120.0° | 120.0° |
| C07 | C08 | C13 | 121.5° | 119.4° |
| C07 | C10 | C11 | 118.7° | 119.8° |
| C07 | C10 | H1 | 120.6° | 120.1° |
| C08 | C13 | C12 | 118.4° | 120.2° |
| C08 | C13 | H2 | 120.8° | 119.9° |
| C10 | C11 | C12 | 120.8° | 120.1° |
| C10 | C11 | O14 | 120.4° | 120.0° |
| C11 | C10 | H1 | 120.6° | 120.1° |
| C13 | C12 | C11 | 120.6° | 120.5° |
| C12 | C13 | H2 | 120.8° | 119.9° |
| C13 | C12 | H9 | 119.7° | 119.8° |
| C12 | C11 | O14 | 118.8° | 119.9° |
| C11 | C12 | H9 | 119.7° | 119.7° |
| C11 | O14 | C15 | 114.0° | 117.0° |
| O14 | C15 | C16 | 108.1° | 109.5° |
| O14 | C15 | H3 | 109.8° | 109.5° |
| O14 | C15 | H4 | 109.8° | 109.4° |
| C15 | C16 | N17 | 109.8° | 109.5° |
| C16 | C15 | H3 | 109.8° | 109.5° |
| C16 | C15 | H4 | 109.8° | 109.5° |
| C15 | C16 | H10 | 109.4° | 109.5° |
| C15 | C16 | H11 | 109.4° | 109.5° |
| C16 | N17 | C19 | 109.3° | 111.0° |
| C16 | N17 | C18 | 110.3° | 111.0° |
| N17 | C16 | H10 | 109.4° | 109.4° |
| N17 | C16 | H11 | 109.4° | 109.5° |
| C19 | N17 | C18 | 111.1° | 111.0° |
| N17 | C19 | H15 | 109.5° | 109.5° |
| N17 | C19 | H16 | 109.5° | 109.4° |
| N17 | C19 | H17 | 109.5° | 109.5° |
| N17 | C18 | H12 | 109.5° | 109.5° |
| N17 | C18 | H13 | 109.5° | 109.5° |
| N17 | C18 | H14 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.4° |
| H12 | C18 | H14 | 109.4° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.4° | 109.5° |
| H15 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H5 | 180.0° | 180.0° |
| C01 | C02 | C03 | H6 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 0.4° | 0.1° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C01 | C02 | C03 | H7 | 179.6° | 180.0° |
| C02 | C01 | C06 | H8 | 179.6° | 180.0° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C01 | C06 | C05 | H8 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.5° | 0.1° |
| C01 | C06 | C05 | N09 | 179.7° | 180.0° |
| C06 | C01 | C02 | H6 | 180.0° | 180.0° |
| C02 | C03 | C04 | H7 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.4° | 0.0° |
| C02 | C03 | C04 | C07 | 179.5° | 180.0° |
| C03 | C02 | C01 | H5 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C06 | C05 | C04 | N09 | 179.8° | 179.9° |
| C06 | C05 | C04 | C07 | 180.0° | 180.0° |
| C06 | C05 | N09 | C08 | 179.8° | 180.0° |
| C05 | C06 | C01 | H5 | 179.6° | 179.9° |
| C06 | C05 | N09 | H18 | 0.2° | 0.1° |
| C03 | C04 | C05 | C07 | 179.9° | 180.0° |
| C03 | C04 | C05 | N09 | 179.9° | 180.0° |
| C03 | C04 | C07 | C08 | 179.8° | 180.0° |
| C03 | C04 | C07 | C10 | 0.1° | 0.1° |
| C04 | C03 | C02 | H6 | 179.6° | 179.9° |
| C04 | C05 | N09 | C08 | 0.0° | 0.0° |
| C05 | C04 | C07 | C08 | 0.3° | 0.0° |
| C05 | C04 | C07 | C10 | 179.8° | 179.9° |
| C05 | C04 | C03 | H7 | 179.6° | 180.0° |
| C04 | C05 | C06 | H8 | 179.5° | 180.0° |
| C04 | C05 | N09 | H18 | 180.0° | 180.0° |
| N09 | C05 | C04 | C07 | 0.2° | 0.0° |
| C05 | N09 | C08 | H18 | 180.0° | 179.9° |
| C05 | N09 | C08 | C07 | 0.2° | 0.0° |
| C05 | N09 | C08 | C13 | 179.6° | 180.0° |
| N09 | C05 | C06 | H8 | 0.3° | 0.1° |
| C04 | C07 | C08 | N09 | 0.3° | 0.0° |
| C04 | C07 | C08 | C10 | 179.9° | 179.9° |
| C04 | C07 | C08 | C13 | 179.8° | 180.0° |
| C04 | C07 | C10 | C11 | 179.8° | 179.9° |
| C04 | C07 | C10 | H1 | 0.2° | 0.2° |
| C07 | C04 | C03 | H7 | 0.5° | 0.1° |
| N09 | C08 | C07 | C13 | 179.5° | 180.0° |
| N09 | C08 | C07 | C10 | 179.8° | 179.9° |
| N09 | C08 | C13 | C12 | 179.9° | 179.9° |
| N09 | C08 | C13 | H2 | 0.1° | 0.3° |
| C08 | C07 | C10 | C11 | 0.1° | 0.0° |
| C07 | C08 | C13 | C12 | 0.5° | 0.2° |
| C08 | C07 | C10 | H1 | 179.9° | 179.8° |
| C07 | C08 | C13 | H2 | 179.5° | 179.8° |
| C07 | C08 | N09 | H18 | 179.8° | 180.0° |
| C10 | C07 | C08 | C13 | 0.3° | 0.0° |
| C07 | C10 | C11 | H1 | 180.0° | 179.8° |
| C07 | C10 | C11 | C12 | 0.4° | 0.2° |
| C07 | C10 | C11 | O14 | 179.5° | 179.8° |
| C08 | C13 | C12 | H2 | 180.0° | 179.6° |
| C08 | C13 | C12 | C11 | 0.2° | 0.4° |
| C08 | C13 | C12 | H9 | 179.8° | 179.9° |
| C13 | C08 | N09 | H18 | 0.4° | 0.1° |
| C10 | C11 | C12 | C13 | 0.2° | 0.4° |
| C10 | C11 | C12 | O14 | 179.9° | 180.0° |
| C10 | C11 | O14 | C15 | 1.8° | 180.0° |
| C10 | C11 | C12 | H9 | 179.8° | 179.9° |
| C13 | C12 | C11 | H9 | 180.0° | 179.7° |
| C13 | C12 | C11 | O14 | 179.7° | 179.6° |
| C12 | C11 | O14 | C15 | 178.3° | 0.0° |
| C12 | C11 | C10 | H1 | 179.6° | 180.0° |
| C11 | C12 | C13 | H2 | 179.8° | 180.0° |
| C11 | O14 | C15 | C16 | 159.4° | 180.0° |
| O14 | C11 | C10 | H1 | 0.5° | 0.0° |
| C11 | O14 | C15 | H3 | 39.6° | 59.9° |
| C11 | O14 | C15 | H4 | 80.8° | 60.1° |
| O14 | C11 | C12 | H9 | 0.4° | 0.1° |
| O14 | C15 | C16 | H3 | 119.8° | 120.0° |
| O14 | C15 | C16 | H4 | 119.8° | 120.0° |
| O14 | C15 | C16 | N17 | 63.9° | 65.0° |
| O14 | C15 | H3 | H4 | 120.6° | 120.0° |
| O14 | C15 | C16 | H10 | 56.1° | 175.0° |
| O14 | C15 | C16 | H11 | 176.0° | 55.0° |
| C15 | C16 | N17 | H10 | 120.1° | 120.0° |
| C15 | C16 | N17 | H11 | 120.1° | 120.0° |
| C15 | C16 | N17 | C19 | 131.4° | 170.0° |
| C15 | C16 | N17 | C18 | 106.2° | 66.0° |
| C16 | C15 | H3 | H4 | 120.6° | 120.0° |
| C15 | C16 | H10 | H11 | 119.9° | 120.0° |
| C16 | N17 | C19 | C18 | 122.0° | 123.9° |
| N17 | C16 | C15 | H3 | 176.3° | 175.0° |
| N17 | C16 | C15 | H4 | 55.9° | 55.0° |
| N17 | C16 | H10 | H11 | 119.8° | 120.0° |
| C16 | N17 | C18 | H12 | 180.0° | 60.0° |
| C16 | N17 | C18 | H13 | 60.0° | 180.0° |
| C16 | N17 | C18 | H14 | 60.0° | 60.0° |
| C16 | N17 | C19 | H15 | 180.0° | 60.0° |
| C16 | N17 | C19 | H16 | 60.0° | 180.0° |
| C16 | N17 | C19 | H17 | 60.0° | 60.0° |
| C19 | N17 | C16 | H10 | 108.5° | 70.0° |
| C19 | N17 | C16 | H11 | 11.3° | 50.0° |
| C19 | N17 | C18 | H12 | 58.6° | 63.9° |
| C19 | N17 | C18 | H13 | 178.6° | 56.1° |
| C19 | N17 | C18 | H14 | 61.4° | 176.0° |
| N17 | C19 | H15 | H16 | 120.0° | 120.0° |
| N17 | C19 | H15 | H17 | 120.0° | 120.0° |
| N17 | C19 | H16 | H17 | 120.0° | 120.0° |
| C18 | N17 | C16 | H10 | 13.9° | 54.0° |
| C18 | N17 | C16 | H11 | 133.8° | 174.0° |
| N17 | C18 | H12 | H13 | 120.0° | 120.0° |
| N17 | C18 | H12 | H14 | 120.0° | 120.0° |
| N17 | C18 | H13 | H14 | 120.0° | 120.0° |
| C18 | N17 | C19 | H15 | 58.0° | 176.1° |
| C18 | N17 | C19 | H16 | 62.0° | 56.1° |
| C18 | N17 | C19 | H17 | 178.1° | 63.9° |
| H2 | C13 | C12 | H9 | 0.2° | 0.3° |
| H3 | C15 | C16 | H10 | 63.7° | 55.0° |
| H3 | C15 | C16 | H11 | 56.2° | 65.0° |
| H4 | C15 | C16 | H10 | 175.9° | 65.0° |
| H4 | C15 | C16 | H11 | 64.1° | 175.0° |
| H5 | C01 | C02 | H6 | 0.0° | 0.0° |
| H5 | C01 | C06 | H8 | 0.4° | 0.0° |
| H6 | C02 | C03 | H7 | 0.4° | 0.1° |
| H12 | C18 | H13 | H14 | 120.0° | 120.0° |
| H15 | C19 | H16 | H17 | 120.0° | 120.1° |
