HMJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | O13 | sing | 1.35Å | 1.33Å | Aromatic |
| C19 | C11 | sing | 1.48Å | 1.49Å | Aromatic |
| O13 | C12 | sing | 1.35Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | O06 | sing | 1.43Å | 1.41Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C07 | O06 | sing | 1.36Å | 1.42Å | |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N02 | sing | 1.47Å | 1.48Å | |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| N02 | C03 | sing | 1.47Å | 1.46Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 119.7° | 120.6° |
| C16 | C17 | C18 | 120.7° | 120.1° |
| C16 | C17 | H3 | 119.6° | 119.9° |
| C17 | C16 | H16 | 120.2° | 119.7° |
| C16 | C15 | C14 | 119.7° | 120.1° |
| C16 | C15 | H2 | 120.2° | 119.9° |
| C15 | C16 | H16 | 120.1° | 119.8° |
| C17 | C18 | C19 | 119.3° | 119.8° |
| C18 | C17 | H3 | 119.6° | 120.0° |
| C17 | C18 | H17 | 120.4° | 120.1° |
| C15 | C14 | C19 | 120.8° | 119.2° |
| C15 | C14 | O13 | 130.2° | 132.3° |
| C14 | C15 | H2 | 120.1° | 120.0° |
| C18 | C19 | C14 | 119.8° | 120.3° |
| C18 | C19 | C11 | 134.5° | 134.0° |
| C19 | C18 | H17 | 120.4° | 120.1° |
| C19 | C14 | O13 | 108.9° | 108.5° |
| C14 | C19 | C11 | 105.7° | 105.7° |
| C14 | O13 | C12 | 111.5° | 111.5° |
| C19 | C11 | C12 | 104.4° | 105.7° |
| C19 | C11 | C10 | 135.9° | 134.0° |
| O13 | C12 | C11 | 109.6° | 108.6° |
| O13 | C12 | C09 | 129.1° | 132.2° |
| C12 | C11 | C10 | 119.7° | 120.3° |
| C11 | C12 | C09 | 121.4° | 119.2° |
| C11 | C10 | C07 | 117.3° | 119.7° |
| C11 | C10 | H1 | 121.4° | 120.1° |
| C12 | C09 | C08 | 120.3° | 120.2° |
| C12 | C09 | H15 | 119.8° | 119.9° |
| C10 | C07 | O06 | 111.9° | 120.0° |
| C10 | C07 | C08 | 124.0° | 120.0° |
| C07 | C10 | H1 | 121.4° | 120.1° |
| C09 | C08 | C07 | 117.4° | 120.6° |
| C09 | C08 | H14 | 121.3° | 119.7° |
| C08 | C09 | H15 | 119.9° | 119.9° |
| O06 | C05 | C04 | 108.1° | 109.5° |
| C05 | O06 | C07 | 119.4° | 117.1° |
| O06 | C05 | H12 | 109.8° | 109.4° |
| O06 | C05 | H13 | 109.8° | 109.5° |
| C05 | C04 | N02 | 110.8° | 109.4° |
| C05 | C04 | H10 | 109.1° | 109.5° |
| C05 | C04 | H11 | 109.1° | 109.5° |
| C04 | C05 | H12 | 109.8° | 109.5° |
| C04 | C05 | H13 | 109.8° | 109.5° |
| O06 | C07 | C08 | 124.1° | 120.0° |
| C07 | C08 | H14 | 121.3° | 119.7° |
| C04 | N02 | C01 | 110.4° | 111.0° |
| C04 | N02 | C03 | 110.9° | 111.0° |
| N02 | C04 | H10 | 109.1° | 109.5° |
| N02 | C04 | H11 | 109.2° | 109.5° |
| C01 | N02 | C03 | 109.7° | 111.0° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C03 | H7 | 109.5° | 109.5° |
| N02 | C03 | H8 | 109.5° | 109.5° |
| N02 | C03 | H9 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.4° |
| H4 | C01 | H6 | 109.4° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.4° | 109.4° |
| H7 | C03 | H9 | 109.5° | 109.4° |
| H8 | C03 | H9 | 109.5° | 109.4° |
| H10 | C04 | H11 | 109.5° | 109.5° |
| H12 | C05 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C16 | C17 | C18 | H3 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.6° | 0.1° |
| C16 | C17 | C18 | C19 | 0.4° | 0.1° |
| C17 | C16 | C15 | H2 | 179.4° | 179.9° |
| C16 | C17 | C18 | H17 | 179.6° | 179.9° |
| C15 | C16 | C17 | C18 | 0.7° | 0.1° |
| C16 | C15 | C14 | H2 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.3° | 0.0° |
| C16 | C15 | C14 | O13 | 179.9° | 180.0° |
| C15 | C16 | C17 | H3 | 179.3° | 180.0° |
| C17 | C18 | C19 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | C14 | 0.0° | 0.0° |
| C17 | C18 | C19 | C11 | 179.8° | 179.3° |
| C18 | C17 | C16 | H16 | 179.3° | 180.0° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C15 | C14 | C19 | O13 | 179.9° | 180.0° |
| C15 | C14 | C19 | C11 | 179.9° | 179.5° |
| C15 | C14 | O13 | C12 | 179.9° | 179.1° |
| C14 | C15 | C16 | H16 | 179.4° | 180.0° |
| C18 | C19 | C14 | C11 | 179.9° | 179.5° |
| C18 | C19 | C14 | O13 | 179.9° | 180.0° |
| C18 | C19 | C11 | C12 | 179.8° | 179.4° |
| C18 | C19 | C11 | C10 | 0.2° | 0.1° |
| C19 | C18 | C17 | H3 | 179.6° | 180.0° |
| C19 | C14 | O13 | C12 | 0.0° | 0.9° |
| C14 | C19 | C11 | C12 | 0.0° | 0.0° |
| C14 | C19 | C11 | C10 | 180.0° | 179.3° |
| C19 | C14 | C15 | H2 | 179.8° | 180.0° |
| C14 | C19 | C18 | H17 | 180.0° | 179.9° |
| O13 | C14 | C19 | C11 | 0.0° | 0.5° |
| C14 | O13 | C12 | C11 | 0.1° | 0.9° |
| C14 | O13 | C12 | C09 | 179.6° | 179.7° |
| O13 | C14 | C15 | H2 | 0.1° | 0.0° |
| C19 | C11 | C12 | O13 | 0.1° | 0.6° |
| C19 | C11 | C12 | C10 | 180.0° | 179.4° |
| C19 | C11 | C12 | C09 | 179.6° | 180.0° |
| C19 | C11 | C10 | C07 | 179.7° | 179.8° |
| C19 | C11 | C10 | H1 | 0.3° | 0.5° |
| C11 | C19 | C18 | H17 | 0.2° | 0.6° |
| O13 | C12 | C11 | C09 | 179.6° | 179.5° |
| O13 | C12 | C11 | C10 | 180.0° | 180.0° |
| O13 | C12 | C09 | C08 | 179.7° | 179.6° |
| O13 | C12 | C09 | H15 | 0.3° | 0.5° |
| C12 | C11 | C10 | C07 | 0.3° | 0.6° |
| C11 | C12 | C09 | C08 | 0.3° | 0.3° |
| C12 | C11 | C10 | H1 | 179.7° | 179.7° |
| C11 | C12 | C09 | H15 | 179.7° | 179.8° |
| C10 | C11 | C12 | C09 | 0.4° | 0.6° |
| C11 | C10 | C07 | H1 | 180.0° | 179.7° |
| C11 | C10 | C07 | O06 | 179.9° | 179.7° |
| C11 | C10 | C07 | C08 | 0.1° | 0.3° |
| C12 | C09 | C08 | H15 | 180.0° | 179.9° |
| C12 | C09 | C08 | C07 | 0.1° | 0.0° |
| C12 | C09 | C08 | H14 | 179.9° | 180.0° |
| C10 | C07 | C08 | C09 | 0.0° | 0.0° |
| C10 | C07 | O06 | C05 | 8.0° | 180.0° |
| C10 | C07 | O06 | C08 | 180.0° | 180.0° |
| C10 | C07 | C08 | H14 | 180.0° | 180.0° |
| C09 | C08 | C07 | O06 | 180.0° | 180.0° |
| C09 | C08 | C07 | H14 | 180.0° | 180.0° |
| O06 | C05 | C04 | H12 | 119.8° | 120.0° |
| O06 | C05 | C04 | H13 | 119.8° | 120.0° |
| C05 | O06 | C07 | C08 | 172.1° | 0.0° |
| O06 | C05 | C04 | N02 | 81.7° | 64.5° |
| O06 | C05 | C04 | H10 | 38.5° | 175.5° |
| O06 | C05 | C04 | H11 | 158.1° | 55.5° |
| O06 | C05 | H12 | H13 | 120.6° | 120.0° |
| C04 | C05 | O06 | C07 | 163.6° | 180.0° |
| C05 | C04 | N02 | H10 | 120.2° | 120.0° |
| C05 | C04 | N02 | H11 | 120.2° | 120.0° |
| C05 | C04 | N02 | C01 | 72.3° | 75.7° |
| C05 | C04 | N02 | C03 | 165.9° | 160.3° |
| C05 | C04 | H10 | H11 | 119.4° | 120.0° |
| C04 | C05 | H12 | H13 | 120.6° | 120.0° |
| O06 | C07 | C10 | H1 | 0.1° | 0.0° |
| C07 | O06 | C05 | H12 | 76.6° | 60.0° |
| C07 | O06 | C05 | H13 | 43.8° | 60.0° |
| O06 | C07 | C08 | H14 | 0.0° | 0.0° |
| C08 | C07 | C10 | H1 | 179.9° | 180.0° |
| C07 | C08 | C09 | H15 | 179.9° | 180.0° |
| C04 | N02 | C01 | C03 | 122.5° | 123.9° |
| C04 | N02 | C01 | H4 | 180.0° | 60.0° |
| C04 | N02 | C01 | H5 | 60.0° | 179.9° |
| C04 | N02 | C01 | H6 | 60.0° | 60.0° |
| C04 | N02 | C03 | H7 | 180.0° | 68.8° |
| C04 | N02 | C03 | H8 | 60.0° | 51.2° |
| C04 | N02 | C03 | H9 | 60.0° | 171.2° |
| N02 | C04 | H10 | H11 | 119.4° | 120.1° |
| N02 | C04 | C05 | H12 | 158.5° | 175.5° |
| N02 | C04 | C05 | H13 | 38.1° | 55.5° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | N02 | C03 | H7 | 57.8° | 55.1° |
| C01 | N02 | C03 | H8 | 177.8° | 175.1° |
| C01 | N02 | C03 | H9 | 62.2° | 64.9° |
| C01 | N02 | C04 | H10 | 167.5° | 44.2° |
| C01 | N02 | C04 | H11 | 47.9° | 164.3° |
| C03 | N02 | C01 | H4 | 57.6° | 63.9° |
| C03 | N02 | C01 | H5 | 62.5° | 56.0° |
| C03 | N02 | C01 | H6 | 177.5° | 176.0° |
| N02 | C03 | H7 | H8 | 120.0° | 120.0° |
| N02 | C03 | H7 | H9 | 120.0° | 120.0° |
| N02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C03 | N02 | C04 | H10 | 45.7° | 79.7° |
| C03 | N02 | C04 | H11 | 73.9° | 40.3° |
| H2 | C15 | C16 | H16 | 0.6° | 0.1° |
| H3 | C17 | C16 | H16 | 0.7° | 0.1° |
| H3 | C17 | C18 | H17 | 0.4° | 0.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C03 | H8 | H9 | 120.0° | 119.9° |
| H10 | C04 | C05 | H12 | 81.3° | 55.5° |
| H10 | C04 | C05 | H13 | 158.3° | 64.5° |
| H11 | C04 | C05 | H12 | 38.3° | 64.5° |
| H11 | C04 | C05 | H13 | 82.1° | 175.5° |
| H14 | C08 | C09 | H15 | 0.0° | 0.0° |
