VPS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C10 | sing | 1.38Å | 1.44Å | |
| C10 | N09 | doub | 1.33Å | 1.32Å | Aromatic |
| C10 | N12 | sing | 1.33Å | 1.32Å | Aromatic |
| N09 | C08 | sing | 1.33Å | 1.32Å | Aromatic |
| N12 | C13 | doub | 1.33Å | 1.32Å | Aromatic |
| C08 | N07 | sing | 1.38Å | 1.43Å | |
| C08 | N24 | doub | 1.33Å | 1.32Å | Aromatic |
| N07 | C06 | sing | 1.39Å | 1.45Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | N24 | sing | 1.33Å | 1.32Å | Aromatic |
| C13 | O14 | sing | 1.35Å | 1.40Å | |
| O21 | C20 | doub | 1.22Å | 1.26Å | |
| C06 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| O14 | C15 | sing | 1.36Å | 1.39Å | |
| C23 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.43Å | 1.53Å | |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.48Å | 1.53Å | |
| C20 | O22 | sing | 1.35Å | 1.26Å | |
| C19 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | N01 | trip | 1.14Å | 1.13Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| N07 | H9 | sing | 0.97Å | 1.00Å | |
| N11 | H10 | sing | 0.97Å | 1.00Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| O22 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C10 | N09 | 121.8° | 120.0° |
| N11 | C10 | N12 | 118.6° | 120.0° |
| C10 | N11 | H10 | 109.5° | 119.9° |
| C10 | N11 | H11 | 109.5° | 120.0° |
| N09 | C10 | N12 | 119.6° | 120.0° |
| C10 | N09 | C08 | 119.4° | 120.0° |
| C10 | N12 | C13 | 121.0° | 120.0° |
| N09 | C08 | N07 | 117.2° | 120.0° |
| N09 | C08 | N24 | 120.8° | 119.9° |
| N12 | C13 | N24 | 119.4° | 120.0° |
| N12 | C13 | O14 | 116.3° | 120.0° |
| N07 | C08 | N24 | 122.0° | 120.0° |
| C08 | N07 | C06 | 126.4° | 120.0° |
| C08 | N07 | H9 | 116.8° | 120.0° |
| C08 | N24 | C13 | 119.7° | 120.1° |
| N07 | C06 | C05 | 117.1° | 119.9° |
| N07 | C06 | C25 | 122.8° | 119.9° |
| C06 | N07 | H9 | 116.8° | 120.0° |
| C06 | C05 | C04 | 120.0° | 120.1° |
| C05 | C06 | C25 | 120.1° | 120.1° |
| C06 | C05 | H4 | 120.0° | 119.9° |
| C05 | C04 | C03 | 119.8° | 119.9° |
| C05 | C04 | H3 | 120.1° | 120.0° |
| C04 | C05 | H4 | 120.0° | 120.0° |
| N24 | C13 | O14 | 124.3° | 120.0° |
| C13 | O14 | C15 | 116.3° | 118.0° |
| O21 | C20 | C19 | 122.1° | 120.0° |
| O21 | C20 | O22 | 120.1° | 120.0° |
| C06 | C25 | C26 | 120.0° | 120.1° |
| C06 | C25 | H8 | 120.0° | 120.0° |
| C04 | C03 | C26 | 120.8° | 119.9° |
| C04 | C03 | C02 | 118.9° | 120.1° |
| C03 | C04 | H3 | 120.1° | 120.0° |
| O14 | C15 | C23 | 122.0° | 120.0° |
| O14 | C15 | C16 | 117.8° | 120.0° |
| C15 | C23 | C19 | 119.1° | 119.8° |
| C23 | C15 | C16 | 120.3° | 120.0° |
| C15 | C23 | H7 | 120.4° | 120.1° |
| C23 | C19 | C20 | 122.0° | 120.1° |
| C23 | C19 | C18 | 120.4° | 119.8° |
| C19 | C23 | H7 | 120.5° | 120.1° |
| C25 | C26 | C03 | 119.3° | 119.9° |
| C25 | C26 | H2 | 120.3° | 120.1° |
| C26 | C25 | H8 | 120.0° | 119.9° |
| C26 | C03 | C02 | 120.4° | 120.0° |
| C03 | C26 | H2 | 120.4° | 120.0° |
| C03 | C02 | N01 | 179.7° | 180.0° |
| C15 | C16 | C17 | 120.4° | 120.2° |
| C15 | C16 | H5 | 119.8° | 119.8° |
| C19 | C20 | O22 | 117.8° | 120.0° |
| C20 | C19 | C18 | 117.6° | 120.1° |
| C20 | O22 | H12 | 109.5° | 117.0° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C19 | C18 | H6 | 119.8° | 120.0° |
| C16 | C17 | C18 | 119.4° | 120.2° |
| C16 | C17 | H1 | 120.3° | 119.9° |
| C17 | C16 | H5 | 119.8° | 119.9° |
| C18 | C17 | H1 | 120.3° | 119.9° |
| C17 | C18 | H6 | 119.8° | 120.0° |
| H10 | N11 | H11 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C10 | N09 | N12 | 180.0° | 179.7° |
| N11 | C10 | N09 | C08 | 180.0° | 179.7° |
| N11 | C10 | N12 | C13 | 179.7° | 179.7° |
| C10 | N11 | H10 | H11 | 120.0° | 180.0° |
| N09 | C10 | N12 | C13 | 0.4° | 0.0° |
| C10 | N09 | C08 | N07 | 179.5° | 180.0° |
| C10 | N09 | C08 | N24 | 0.1° | 0.0° |
| N09 | C10 | N11 | H10 | 0.0° | 0.0° |
| N09 | C10 | N11 | H11 | 120.0° | 180.0° |
| N12 | C10 | N09 | C08 | 0.0° | 0.0° |
| C10 | N12 | C13 | N24 | 0.6° | 0.0° |
| C10 | N12 | C13 | O14 | 179.7° | 179.9° |
| N12 | C10 | N11 | H10 | 180.0° | 179.7° |
| N12 | C10 | N11 | H11 | 60.0° | 0.3° |
| N09 | C08 | N07 | N24 | 179.6° | 180.0° |
| N09 | C08 | N07 | C06 | 176.1° | 5.6° |
| N09 | C08 | N24 | C13 | 0.2° | 0.0° |
| N09 | C08 | N07 | H9 | 3.9° | 174.5° |
| N12 | C13 | N24 | C08 | 0.5° | 0.0° |
| N12 | C13 | N24 | O14 | 179.0° | 180.0° |
| N12 | C13 | O14 | C15 | 169.2° | 4.8° |
| C08 | N07 | C06 | H9 | 180.0° | 179.9° |
| C08 | N07 | C06 | C05 | 154.4° | 38.5° |
| N07 | C08 | N24 | C13 | 179.7° | 180.0° |
| C08 | N07 | C06 | C25 | 26.2° | 141.2° |
| N24 | C08 | N07 | C06 | 3.5° | 174.4° |
| C08 | N24 | C13 | O14 | 179.5° | 180.0° |
| N24 | C08 | N07 | H9 | 176.5° | 5.5° |
| N07 | C06 | C05 | C25 | 179.5° | 179.6° |
| N07 | C06 | C05 | C04 | 179.7° | 180.0° |
| N07 | C06 | C25 | C26 | 179.3° | 179.7° |
| N07 | C06 | C05 | H4 | 0.3° | 0.4° |
| N07 | C06 | C25 | H8 | 0.7° | 0.4° |
| C06 | C05 | C04 | H4 | 180.0° | 179.6° |
| C06 | C05 | C04 | C03 | 0.5° | 0.1° |
| C05 | C06 | C25 | C26 | 0.1° | 0.6° |
| C06 | C05 | C04 | H3 | 179.6° | 180.0° |
| C05 | C06 | C25 | H8 | 179.9° | 180.0° |
| C05 | C06 | N07 | H9 | 25.6° | 141.5° |
| C04 | C05 | C06 | C25 | 0.2° | 0.4° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | C26 | 0.4° | 0.0° |
| C05 | C04 | C03 | C02 | 179.4° | 179.9° |
| N24 | C13 | O14 | C15 | 11.8° | 175.2° |
| C13 | O14 | C15 | C23 | 66.5° | 102.6° |
| C13 | O14 | C15 | C16 | 115.0° | 77.6° |
| O21 | C20 | C19 | C23 | 17.4° | 0.1° |
| O21 | C20 | C19 | O22 | 178.8° | 180.0° |
| O21 | C20 | C19 | C18 | 163.7° | 180.0° |
| O21 | C20 | O22 | H12 | 0.0° | 0.1° |
| C06 | C25 | C26 | H8 | 180.0° | 179.4° |
| C06 | C25 | C26 | C03 | 0.1° | 0.6° |
| C06 | C25 | C26 | H2 | 179.9° | 179.7° |
| C25 | C06 | C05 | H4 | 179.8° | 180.0° |
| C25 | C06 | N07 | H9 | 153.8° | 38.9° |
| C04 | C03 | C26 | C25 | 0.1° | 0.3° |
| C04 | C03 | C26 | C02 | 179.8° | 180.0° |
| C04 | C03 | C02 | N01 | 72.9° | 113.1° |
| C04 | C03 | C26 | H2 | 179.8° | 180.0° |
| C03 | C04 | C05 | H4 | 179.5° | 179.7° |
| O14 | C15 | C23 | C16 | 178.5° | 179.8° |
| O14 | C15 | C23 | C19 | 178.5° | 179.7° |
| O14 | C15 | C16 | C17 | 178.9° | 179.7° |
| O14 | C15 | C16 | H5 | 1.1° | 0.2° |
| O14 | C15 | C23 | H7 | 1.5° | 0.2° |
| C15 | C23 | C19 | H7 | 180.0° | 179.9° |
| C15 | C23 | C19 | C20 | 179.1° | 179.9° |
| C15 | C23 | C19 | C18 | 0.2° | 0.1° |
| C23 | C15 | C16 | C17 | 0.4° | 0.1° |
| C23 | C15 | C16 | H5 | 179.6° | 180.0° |
| C19 | C23 | C15 | C16 | 0.0° | 0.1° |
| C23 | C19 | C20 | C18 | 178.9° | 179.9° |
| C23 | C19 | C20 | O22 | 161.4° | 179.9° |
| C23 | C19 | C18 | C17 | 0.1° | 0.1° |
| C23 | C19 | C18 | H6 | 179.9° | 180.0° |
| C25 | C26 | C03 | H2 | 180.0° | 179.7° |
| C25 | C26 | C03 | C02 | 179.7° | 179.7° |
| C26 | C03 | C02 | N01 | 107.2° | 66.8° |
| C26 | C03 | C04 | H3 | 179.6° | 180.0° |
| C03 | C26 | C25 | H8 | 179.9° | 180.0° |
| C02 | C03 | C26 | H2 | 0.3° | 0.0° |
| C02 | C03 | C04 | H3 | 0.6° | 0.0° |
| C15 | C16 | C17 | H5 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.5° | 0.1° |
| C15 | C16 | C17 | H1 | 179.5° | 180.0° |
| C16 | C15 | C23 | H7 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.1° | 180.0° |
| C20 | C19 | C18 | H6 | 0.9° | 0.1° |
| C20 | C19 | C23 | H7 | 0.9° | 0.1° |
| C19 | C20 | O22 | H12 | 178.9° | 180.0° |
| O22 | C20 | C19 | C18 | 17.5° | 0.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C19 | C18 | C17 | H6 | 180.0° | 179.9° |
| C19 | C18 | C17 | H1 | 179.8° | 180.0° |
| C18 | C19 | C23 | H7 | 179.8° | 180.0° |
| C16 | C17 | C18 | H1 | 180.0° | 179.9° |
| C16 | C17 | C18 | H6 | 179.8° | 180.0° |
| C18 | C17 | C16 | H5 | 179.5° | 180.0° |
| H1 | C17 | C16 | H5 | 0.5° | 0.1° |
| H1 | C17 | C18 | H6 | 0.2° | 0.1° |
| H2 | C26 | C25 | H8 | 0.1° | 0.3° |
| H3 | C04 | C05 | H4 | 0.5° | 0.3° |






