VMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.42Å | 1.40Å | Aromatic |
| C24 | C26 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C25 | doub | 1.36Å | 1.39Å | Aromatic |
| C25 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.54Å | |
| C8 | O8 | doub | 1.22Å | 1.23Å | |
| C8 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | O7 | doub | 1.22Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C1 | sing | 1.46Å | 1.49Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | HA | sing | 1.09Å | 1.10Å | |
| C2 | HB | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O4 | HC | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HD | sing | 0.97Å | 0.95Å | |
| O2 | H2A | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 119.4° | 119.4° |
| C10 | C11 | C24 | 119.7° | 121.1° |
| C10 | C11 | C12 | 120.2° | 119.5° |
| C11 | C10 | H10 | 120.3° | 120.3° |
| C10 | C9 | C14 | 120.2° | 120.5° |
| C10 | C9 | C8 | 120.7° | 119.7° |
| C9 | C10 | H10 | 120.3° | 120.3° |
| C24 | C11 | C12 | 120.1° | 119.4° |
| C11 | C24 | C26 | 119.7° | 119.6° |
| C11 | C24 | H24 | 120.2° | 120.2° |
| C11 | C12 | C25 | 120.2° | 119.3° |
| C11 | C12 | C13 | 120.2° | 119.7° |
| C24 | C26 | C27 | 120.1° | 121.0° |
| C26 | C24 | H24 | 120.1° | 120.2° |
| C24 | C26 | H26 | 119.9° | 119.5° |
| C26 | C27 | C25 | 120.5° | 121.0° |
| C27 | C26 | H26 | 120.0° | 119.5° |
| C26 | C27 | H27 | 119.7° | 119.5° |
| C27 | C25 | C12 | 119.4° | 119.7° |
| C25 | C27 | H27 | 119.7° | 119.5° |
| C27 | C25 | H25 | 120.3° | 120.1° |
| C25 | C12 | C13 | 119.6° | 121.0° |
| C12 | C25 | H25 | 120.3° | 120.2° |
| C12 | C13 | C14 | 119.3° | 120.0° |
| C12 | C13 | H13 | 120.3° | 120.0° |
| C13 | C14 | C9 | 120.7° | 120.9° |
| C14 | C13 | H13 | 120.3° | 120.0° |
| C13 | C14 | H14 | 119.7° | 119.5° |
| C14 | C9 | C8 | 119.2° | 119.7° |
| C9 | C14 | H14 | 119.7° | 119.6° |
| C9 | C8 | O8 | 119.4° | 120.0° |
| C9 | C8 | N2 | 115.4° | 120.0° |
| O8 | C8 | N2 | 125.2° | 120.0° |
| C8 | N2 | C7 | 124.6° | 120.0° |
| C8 | N2 | H2 | 117.7° | 120.0° |
| N2 | C7 | O7 | 122.8° | 120.0° |
| N2 | C7 | N1 | 116.0° | 120.0° |
| C7 | N2 | H2 | 117.7° | 120.0° |
| O7 | C7 | N1 | 121.2° | 120.0° |
| C7 | N1 | C1 | 120.8° | 120.0° |
| C7 | N1 | H1 | 119.6° | 120.0° |
| N1 | C1 | O5 | 108.9° | 109.5° |
| N1 | C1 | C2 | 113.1° | 109.4° |
| C1 | N1 | H1 | 119.6° | 120.1° |
| N1 | C1 | HA | 109.0° | 109.5° |
| O5 | C1 | C2 | 107.9° | 109.4° |
| C1 | O5 | C5 | 110.7° | 114.1° |
| O5 | C1 | HA | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.6° | 109.1° |
| C1 | C2 | O2 | 110.3° | 109.5° |
| C2 | C1 | HA | 108.4° | 109.5° |
| C1 | C2 | HB | 108.2° | 109.5° |
| O5 | C5 | C6 | 106.5° | 109.5° |
| O5 | C5 | C4 | 111.2° | 109.4° |
| O5 | C5 | H5 | 109.6° | 109.5° |
| C6 | C5 | C4 | 112.8° | 109.5° |
| C5 | C6 | O6 | 109.8° | 109.4° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| C5 | C6 | H61C | 109.4° | 109.5° |
| C5 | C6 | H62C | 109.4° | 109.4° |
| C5 | C4 | O4 | 109.3° | 109.5° |
| C5 | C4 | C3 | 111.8° | 109.2° |
| C4 | C5 | H5 | 108.2° | 109.5° |
| C5 | C4 | H4 | 108.0° | 109.5° |
| O6 | C6 | H61C | 109.4° | 109.5° |
| O6 | C6 | H62C | 109.4° | 109.4° |
| C6 | O6 | H6 | 109.5° | 113.9° |
| O4 | C4 | C3 | 110.0° | 109.5° |
| O4 | C4 | H4 | 109.6° | 109.5° |
| C4 | O4 | HC | 109.5° | 114.0° |
| C4 | C3 | O3 | 109.7° | 109.6° |
| C4 | C3 | C2 | 110.9° | 109.0° |
| C3 | C4 | H4 | 108.1° | 109.6° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| O3 | C3 | C2 | 109.9° | 109.5° |
| O3 | C3 | H3 | 109.8° | 109.6° |
| C3 | O3 | HD | 109.5° | 114.0° |
| C3 | C2 | O2 | 111.1° | 109.5° |
| C3 | C2 | HB | 108.1° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.6° |
| O2 | C2 | HB | 109.6° | 109.6° |
| C2 | O2 | H2A | 109.5° | 114.0° |
| H61C | C6 | H62C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H10 | 180.0° | 179.8° |
| C10 | C11 | C24 | C12 | 179.7° | 180.0° |
| C10 | C11 | C24 | C26 | 179.9° | 180.0° |
| C10 | C11 | C12 | C25 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C9 | C14 | 0.6° | 0.0° |
| C11 | C10 | C9 | C8 | 179.9° | 180.0° |
| C10 | C11 | C24 | H24 | 0.1° | 0.1° |
| C9 | C10 | C11 | C24 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C9 | C14 | C13 | 0.5° | 0.1° |
| C10 | C9 | C14 | C8 | 179.3° | 180.0° |
| C10 | C9 | C8 | O8 | 139.8° | 0.1° |
| C10 | C9 | C8 | N2 | 39.9° | 180.0° |
| C10 | C9 | C14 | H14 | 179.5° | 180.0° |
| C11 | C24 | C26 | H24 | 180.0° | 180.0° |
| C11 | C24 | C26 | C27 | 0.1° | 0.1° |
| C24 | C11 | C12 | C25 | 0.2° | 0.0° |
| C24 | C11 | C12 | C13 | 179.6° | 180.0° |
| C24 | C11 | C10 | H10 | 0.1° | 0.2° |
| C11 | C24 | C26 | H26 | 179.9° | 180.0° |
| C12 | C11 | C24 | C26 | 0.2° | 0.0° |
| C11 | C12 | C25 | C27 | 0.2° | 0.0° |
| C11 | C12 | C25 | C13 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C10 | H10 | 179.7° | 179.8° |
| C12 | C11 | C24 | H24 | 179.8° | 179.9° |
| C11 | C12 | C25 | H25 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C24 | C26 | C27 | H26 | 180.0° | 180.0° |
| C24 | C26 | C27 | C25 | 0.0° | 0.1° |
| C24 | C26 | C27 | H27 | 180.0° | 180.0° |
| C26 | C27 | C25 | H27 | 180.0° | 179.9° |
| C26 | C27 | C25 | C12 | 0.0° | 0.1° |
| C27 | C26 | C24 | H24 | 179.9° | 179.9° |
| C26 | C27 | C25 | H25 | 180.0° | 180.0° |
| C27 | C25 | C12 | H25 | 180.0° | 179.9° |
| C27 | C25 | C12 | C13 | 179.6° | 180.0° |
| C25 | C27 | C26 | H26 | 180.0° | 180.0° |
| C25 | C12 | C13 | C14 | 180.0° | 180.0° |
| C12 | C25 | C27 | H27 | 180.0° | 180.0° |
| C25 | C12 | C13 | H13 | 0.1° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.2° | 0.1° |
| C13 | C12 | C25 | H25 | 0.3° | 0.1° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C14 | C9 | H14 | 180.0° | 179.9° |
| C13 | C14 | C9 | C8 | 179.9° | 179.9° |
| C14 | C9 | C8 | O8 | 39.6° | 179.9° |
| C14 | C9 | C8 | N2 | 140.8° | 0.0° |
| C14 | C9 | C10 | H10 | 179.4° | 179.8° |
| C9 | C14 | C13 | H13 | 179.8° | 179.9° |
| C9 | C8 | O8 | N2 | 179.7° | 180.0° |
| C9 | C8 | N2 | C7 | 179.4° | 180.0° |
| C8 | C9 | C10 | H10 | 0.1° | 0.2° |
| C8 | C9 | C14 | H14 | 0.1° | 0.0° |
| C9 | C8 | N2 | H2 | 0.6° | 0.0° |
| O8 | C8 | N2 | C7 | 0.9° | 0.0° |
| O8 | C8 | N2 | H2 | 179.1° | 179.9° |
| C8 | N2 | C7 | H2 | 180.0° | 180.0° |
| C8 | N2 | C7 | O7 | 1.5° | 0.0° |
| C8 | N2 | C7 | N1 | 179.5° | 180.0° |
| N2 | C7 | O7 | N1 | 178.9° | 179.9° |
| N2 | C7 | N1 | C1 | 179.8° | 180.0° |
| N2 | C7 | N1 | H1 | 0.1° | 0.0° |
| O7 | C7 | N1 | C1 | 0.8° | 0.1° |
| O7 | C7 | N2 | H2 | 178.5° | 179.9° |
| O7 | C7 | N1 | H1 | 179.2° | 179.9° |
| C7 | N1 | C1 | H1 | 180.0° | 180.0° |
| C7 | N1 | C1 | O5 | 95.8° | 95.0° |
| C7 | N1 | C1 | C2 | 144.3° | 145.1° |
| N1 | C7 | N2 | H2 | 0.5° | 0.0° |
| C7 | N1 | C1 | HA | 23.6° | 25.1° |
| N1 | C1 | O5 | C2 | 123.1° | 119.9° |
| N1 | C1 | O5 | HA | 119.1° | 120.1° |
| N1 | C1 | C2 | HA | 121.1° | 120.1° |
| N1 | C1 | O5 | C5 | 169.0° | 178.9° |
| N1 | C1 | C2 | C3 | 177.2° | 177.6° |
| N1 | C1 | C2 | O2 | 54.7° | 62.6° |
| N1 | C1 | C2 | HB | 65.2° | 57.7° |
| O5 | C1 | C2 | HA | 118.4° | 120.0° |
| C1 | O5 | C5 | C6 | 174.6° | 178.9° |
| C1 | O5 | C5 | C4 | 62.1° | 61.2° |
| O5 | C1 | C2 | C3 | 62.3° | 57.6° |
| O5 | C1 | C2 | O2 | 175.2° | 177.5° |
| O5 | C1 | N1 | H1 | 84.3° | 85.0° |
| O5 | C1 | C2 | HB | 55.3° | 62.3° |
| C1 | O5 | C5 | H5 | 57.5° | 58.8° |
| C2 | C1 | O5 | C5 | 67.9° | 61.2° |
| C1 | C2 | C3 | C4 | 52.5° | 57.0° |
| C1 | C2 | C3 | O3 | 174.0° | 176.9° |
| C1 | C2 | C3 | O2 | 122.1° | 119.9° |
| C1 | C2 | C3 | HB | 117.7° | 119.9° |
| C1 | C2 | O2 | HB | 119.0° | 120.2° |
| C2 | C1 | N1 | H1 | 35.6° | 34.9° |
| C1 | C2 | C3 | H3 | 66.2° | 62.9° |
| C1 | C2 | O2 | H2A | 180.0° | 60.1° |
| O5 | C5 | C6 | C4 | 122.3° | 119.9° |
| O5 | C5 | C6 | H5 | 117.9° | 120.1° |
| O5 | C5 | C4 | H5 | 120.4° | 120.0° |
| O5 | C5 | C6 | O6 | 76.5° | 65.0° |
| O5 | C5 | C4 | O4 | 172.8° | 177.5° |
| O5 | C5 | C4 | C3 | 50.8° | 57.6° |
| C5 | O5 | C1 | HA | 49.9° | 58.8° |
| O5 | C5 | C6 | H61C | 43.5° | 175.0° |
| O5 | C5 | C6 | H62C | 163.4° | 54.9° |
| O5 | C5 | C4 | H4 | 68.0° | 62.4° |
| C6 | C5 | C4 | H5 | 120.0° | 120.0° |
| C5 | C6 | O6 | H61C | 120.1° | 120.0° |
| C5 | C6 | O6 | H62C | 120.1° | 119.9° |
| C6 | C5 | C4 | O4 | 67.6° | 62.5° |
| C6 | C5 | C4 | C3 | 170.4° | 177.6° |
| C5 | C6 | H61C | H62C | 119.8° | 120.0° |
| C6 | C5 | C4 | H4 | 51.6° | 57.6° |
| C5 | C6 | O6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 45.8° | 175.1° |
| C5 | C4 | O4 | C3 | 123.1° | 119.7° |
| C5 | C4 | O4 | H4 | 118.2° | 120.1° |
| C5 | C4 | C3 | H4 | 118.8° | 119.9° |
| C5 | C4 | C3 | O3 | 168.1° | 176.8° |
| C5 | C4 | C3 | C2 | 46.5° | 57.0° |
| C4 | C5 | C6 | H61C | 165.8° | 55.0° |
| C4 | C5 | C6 | H62C | 74.3° | 65.0° |
| C5 | C4 | O4 | HC | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 72.1° | 62.9° |
| O6 | C6 | C5 | H5 | 165.6° | 55.1° |
| O6 | C6 | H61C | H62C | 119.8° | 120.0° |
| O4 | C4 | C3 | H4 | 119.6° | 120.2° |
| O4 | C4 | C3 | O3 | 70.2° | 63.2° |
| O4 | C4 | C3 | C2 | 168.2° | 176.9° |
| O4 | C4 | C5 | H5 | 52.4° | 57.5° |
| O4 | C4 | C3 | H3 | 49.6° | 57.0° |
| C4 | C3 | O3 | C2 | 122.2° | 119.6° |
| C4 | C3 | O3 | H3 | 118.9° | 120.2° |
| C4 | C3 | C2 | H3 | 118.6° | 119.9° |
| C4 | C3 | C2 | O2 | 174.6° | 176.9° |
| C4 | C3 | C2 | HB | 65.2° | 62.9° |
| C3 | C4 | C5 | H5 | 69.6° | 62.4° |
| C3 | C4 | O4 | HC | 56.9° | 60.3° |
| C4 | C3 | O3 | HD | 180.0° | 180.0° |
| O3 | C3 | C2 | H3 | 119.9° | 120.2° |
| O3 | C3 | C2 | O2 | 63.9° | 63.3° |
| O3 | C3 | C2 | HB | 56.3° | 57.0° |
| O3 | C3 | C4 | H4 | 49.3° | 56.9° |
| C3 | C2 | O2 | HB | 119.3° | 120.2° |
| C3 | C2 | C1 | HA | 56.2° | 62.4° |
| C2 | C3 | C4 | H4 | 72.3° | 63.0° |
| C2 | C3 | O3 | HD | 57.8° | 60.4° |
| C3 | C2 | O2 | H2A | 58.3° | 179.7° |
| O2 | C2 | C1 | HA | 66.4° | 57.5° |
| O2 | C2 | C3 | H3 | 55.9° | 57.0° |
| H24 | C24 | C26 | H26 | 0.1° | 0.1° |
| H26 | C26 | C27 | H27 | 0.0° | 0.0° |
| H27 | C27 | C25 | H25 | 0.0° | 0.1° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
| H1 | N1 | C1 | HA | 156.4° | 154.9° |
| HA | C1 | C2 | HB | 173.8° | 177.7° |
| HB | C2 | C3 | H3 | 176.2° | 177.2° |
| HB | C2 | O2 | H2A | 61.0° | 60.1° |
| H5 | C5 | C6 | H61C | 74.3° | 64.9° |
| H5 | C5 | C6 | H62C | 45.5° | 175.0° |
| H5 | C5 | C4 | H4 | 171.6° | 177.6° |
| H61C | C6 | O6 | H6 | 59.9° | 60.0° |
| H62C | C6 | O6 | H6 | 59.9° | 60.1° |
| H4 | C4 | O4 | HC | 61.8° | 59.9° |
| H4 | C4 | C3 | H3 | 169.2° | 177.2° |
| H3 | C3 | O3 | HD | 61.1° | 59.8° |
