RVZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.35Å | 1.36Å | Aromatic |
| C21 | N20 | sing | 1.37Å | 1.32Å | Aromatic |
| C22 | N23 | sing | 1.34Å | 1.31Å | Aromatic |
| N20 | C19 | sing | 1.35Å | 1.35Å | Aromatic |
| N23 | C19 | doub | 1.31Å | 1.34Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | S17 | sing | 1.81Å | 1.82Å | |
| S17 | C16 | sing | 1.76Å | 1.82Å | |
| N15 | C14 | trip | 1.14Å | 1.13Å | |
| C14 | C13 | sing | 1.43Å | 1.53Å | |
| C16 | C13 | doub | 1.41Å | 1.39Å | Aromatic |
| C16 | N24 | sing | 1.33Å | 1.32Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C06 | sing | 1.41Å | 1.39Å | Aromatic |
| N24 | C02 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.38Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.45Å | |
| C06 | C03 | doub | 1.41Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.53Å | |
| C03 | C04 | sing | 1.43Å | 1.52Å | |
| C07 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | N05 | trip | 1.14Å | 1.13Å | |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| N01 | H10 | sing | 0.97Å | 1.00Å | |
| N01 | H11 | sing | 0.97Å | 1.00Å | |
| N20 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | N20 | 108.5° | 106.8° |
| C21 | C22 | N23 | 107.3° | 108.0° |
| C22 | C21 | H2 | 125.8° | 126.5° |
| C21 | C22 | H3 | 126.3° | 126.0° |
| C21 | N20 | C19 | 107.5° | 107.2° |
| N20 | C21 | H2 | 125.7° | 126.6° |
| C21 | N20 | H12 | 126.3° | 126.4° |
| C22 | N23 | C19 | 109.2° | 109.2° |
| N23 | C22 | H3 | 126.4° | 126.0° |
| N20 | C19 | N23 | 107.5° | 108.7° |
| N20 | C19 | C18 | 127.5° | 125.7° |
| C19 | N20 | H12 | 126.3° | 126.4° |
| N23 | C19 | C18 | 125.0° | 125.6° |
| C19 | C18 | S17 | 113.8° | 109.5° |
| C19 | C18 | H8 | 108.4° | 109.5° |
| C19 | C18 | H9 | 108.4° | 109.5° |
| C18 | S17 | C16 | 114.7° | 100.0° |
| S17 | C18 | H8 | 108.4° | 109.5° |
| S17 | C18 | H9 | 108.4° | 109.5° |
| S17 | C16 | C13 | 117.1° | 119.6° |
| S17 | C16 | N24 | 121.9° | 119.5° |
| N15 | C14 | C13 | 179.9° | 180.0° |
| C14 | C13 | C16 | 118.9° | 120.5° |
| C14 | C13 | C06 | 121.2° | 120.5° |
| C13 | C16 | N24 | 120.9° | 120.9° |
| C16 | C13 | C06 | 119.8° | 119.0° |
| C16 | N24 | C02 | 120.0° | 122.2° |
| C09 | C08 | C07 | 120.6° | 119.9° |
| C08 | C09 | C10 | 119.2° | 120.1° |
| C09 | C08 | H4 | 119.7° | 120.1° |
| C08 | C09 | H5 | 120.4° | 120.0° |
| C08 | C07 | C06 | 120.0° | 120.2° |
| C08 | C07 | C12 | 119.9° | 119.7° |
| C07 | C08 | H4 | 119.7° | 120.0° |
| C13 | C06 | C03 | 117.8° | 118.0° |
| C13 | C06 | C07 | 121.7° | 121.0° |
| N24 | C02 | C03 | 122.5° | 121.0° |
| N24 | C02 | N01 | 121.2° | 119.5° |
| C09 | C10 | C11 | 120.5° | 120.3° |
| C09 | C10 | H1 | 119.7° | 119.8° |
| C10 | C09 | H5 | 120.4° | 119.9° |
| C03 | C02 | N01 | 116.3° | 119.5° |
| C02 | C03 | C06 | 118.9° | 119.0° |
| C02 | C03 | C04 | 118.9° | 120.5° |
| C02 | N01 | H10 | 109.5° | 120.0° |
| C02 | N01 | H11 | 109.5° | 120.0° |
| C03 | C06 | C07 | 120.4° | 121.0° |
| C06 | C03 | C04 | 122.1° | 120.5° |
| C06 | C07 | C12 | 120.1° | 120.2° |
| C03 | C04 | N05 | 178.2° | 180.0° |
| C07 | C12 | C11 | 119.7° | 119.9° |
| C07 | C12 | H7 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.1° |
| C11 | C10 | H1 | 119.8° | 119.9° |
| C10 | C11 | H6 | 120.0° | 119.9° |
| C12 | C11 | H6 | 119.9° | 119.9° |
| C11 | C12 | H7 | 120.1° | 120.1° |
| H8 | C18 | H9 | 109.5° | 109.4° |
| H10 | N01 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | N20 | H2 | 180.0° | 179.7° |
| C21 | C22 | N23 | H3 | 180.0° | 180.0° |
| C22 | C21 | N20 | C19 | 2.1° | 0.0° |
| C21 | C22 | N23 | C19 | 0.9° | 0.0° |
| C22 | C21 | N20 | H12 | 177.8° | 180.0° |
| N20 | C21 | C22 | N23 | 1.9° | 0.0° |
| C21 | N20 | C19 | H12 | 180.0° | 179.9° |
| C21 | N20 | C19 | N23 | 1.6° | 0.0° |
| C21 | N20 | C19 | C18 | 179.1° | 180.0° |
| N20 | C21 | C22 | H3 | 178.1° | 180.0° |
| C22 | N23 | C19 | N20 | 0.4° | 0.0° |
| C22 | N23 | C19 | C18 | 179.8° | 180.0° |
| N23 | C22 | C21 | H2 | 178.1° | 179.8° |
| N20 | C19 | N23 | C18 | 179.4° | 179.9° |
| N20 | C19 | C18 | S17 | 36.5° | 90.0° |
| C19 | N20 | C21 | H2 | 177.9° | 179.8° |
| N20 | C19 | C18 | H8 | 157.2° | 149.9° |
| N20 | C19 | C18 | H9 | 84.1° | 30.0° |
| N23 | C19 | C18 | S17 | 144.2° | 90.1° |
| C19 | N23 | C22 | H3 | 179.1° | 179.9° |
| N23 | C19 | C18 | H8 | 23.6° | 30.0° |
| N23 | C19 | C18 | H9 | 95.1° | 149.9° |
| N23 | C19 | N20 | H12 | 178.4° | 180.0° |
| C19 | C18 | S17 | H8 | 120.6° | 120.0° |
| C19 | C18 | S17 | H9 | 120.6° | 120.0° |
| C19 | C18 | S17 | C16 | 58.4° | 180.0° |
| C19 | C18 | H8 | H9 | 118.0° | 119.9° |
| C18 | C19 | N20 | H12 | 1.0° | 0.1° |
| C18 | S17 | C16 | C13 | 162.6° | 179.9° |
| C18 | S17 | C16 | N24 | 20.0° | 0.0° |
| S17 | C18 | H8 | H9 | 118.0° | 120.0° |
| S17 | C16 | C13 | C14 | 0.4° | 0.4° |
| S17 | C16 | C13 | N24 | 177.4° | 179.9° |
| S17 | C16 | C13 | C06 | 178.2° | 180.0° |
| S17 | C16 | N24 | C02 | 179.6° | 180.0° |
| C16 | S17 | C18 | H8 | 62.2° | 60.0° |
| C16 | S17 | C18 | H9 | 179.1° | 60.0° |
| N15 | C14 | C13 | C16 | 175.9° | 158.1° |
| N15 | C14 | C13 | C06 | 1.9° | 21.6° |
| C14 | C13 | C16 | C06 | 177.8° | 179.7° |
| C14 | C13 | C16 | N24 | 176.9° | 179.7° |
| C14 | C13 | C06 | C03 | 179.6° | 180.0° |
| C14 | C13 | C06 | C07 | 4.0° | 0.0° |
| C13 | C16 | N24 | C02 | 3.1° | 0.1° |
| C16 | C13 | C06 | C03 | 1.9° | 0.3° |
| C16 | C13 | C06 | C07 | 178.2° | 179.7° |
| N24 | C16 | C13 | C06 | 0.9° | 0.1° |
| C16 | N24 | C02 | C03 | 2.6° | 0.3° |
| C16 | N24 | C02 | N01 | 179.6° | 179.8° |
| C09 | C08 | C07 | H4 | 180.0° | 179.5° |
| C08 | C09 | C10 | H5 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 180.0° | 179.8° |
| C09 | C08 | C07 | C12 | 2.3° | 0.8° |
| C08 | C09 | C10 | C11 | 1.4° | 0.0° |
| C08 | C09 | C10 | H1 | 178.6° | 179.7° |
| C08 | C07 | C06 | C13 | 43.7° | 65.5° |
| C07 | C08 | C09 | C10 | 3.0° | 0.5° |
| C08 | C07 | C06 | C03 | 132.6° | 114.5° |
| C08 | C07 | C06 | C12 | 177.8° | 179.5° |
| C08 | C07 | C12 | C11 | 0.0° | 0.5° |
| C07 | C08 | C09 | H5 | 177.0° | 179.5° |
| C08 | C07 | C12 | H7 | 180.0° | 180.0° |
| C13 | C06 | C03 | C02 | 2.3° | 0.5° |
| C13 | C06 | C03 | C07 | 176.4° | 180.0° |
| C13 | C06 | C03 | C04 | 178.9° | 179.5° |
| C13 | C06 | C07 | C12 | 138.6° | 115.0° |
| N24 | C02 | C03 | N01 | 177.9° | 179.5° |
| N24 | C02 | C03 | C06 | 0.2° | 0.5° |
| N24 | C02 | C03 | C04 | 179.0° | 179.5° |
| N24 | C02 | N01 | H10 | 0.0° | 179.4° |
| N24 | C02 | N01 | H11 | 120.0° | 0.4° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.9° | 0.3° |
| C10 | C09 | C08 | H4 | 177.1° | 180.0° |
| C09 | C10 | C11 | H6 | 179.1° | 179.7° |
| C02 | C03 | C06 | C04 | 178.8° | 180.0° |
| C02 | C03 | C06 | C07 | 178.8° | 179.5° |
| C02 | C03 | C04 | N05 | 167.6° | 55.5° |
| C03 | C02 | N01 | H10 | 177.9° | 0.0° |
| C03 | C02 | N01 | H11 | 57.9° | 179.9° |
| N01 | C02 | C03 | C06 | 177.7° | 180.0° |
| N01 | C02 | C03 | C04 | 1.2° | 0.0° |
| C02 | N01 | H10 | H11 | 120.0° | 179.9° |
| C03 | C06 | C07 | C12 | 45.1° | 65.0° |
| C06 | C03 | C04 | N05 | 11.2° | 124.4° |
| C07 | C06 | C03 | C04 | 2.4° | 0.5° |
| C06 | C07 | C12 | C11 | 177.8° | 180.0° |
| C06 | C07 | C08 | H4 | 0.0° | 0.3° |
| C06 | C07 | C12 | H7 | 2.2° | 0.5° |
| C07 | C12 | C11 | C10 | 1.6° | 0.0° |
| C07 | C12 | C11 | H7 | 180.0° | 179.5° |
| C12 | C07 | C08 | H4 | 177.7° | 179.8° |
| C07 | C12 | C11 | H6 | 178.4° | 180.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C11 | C10 | C09 | H5 | 178.6° | 180.0° |
| C10 | C11 | C12 | H7 | 178.4° | 179.5° |
| C12 | C11 | C10 | H1 | 179.1° | 180.0° |
| H1 | C10 | C09 | H5 | 1.4° | 0.3° |
| H1 | C10 | C11 | H6 | 0.9° | 0.0° |
| H2 | C21 | C22 | H3 | 1.9° | 0.3° |
| H2 | C21 | N20 | H12 | 2.2° | 0.3° |
| H4 | C08 | C09 | H5 | 3.0° | 0.0° |
| H6 | C11 | C12 | H7 | 1.6° | 0.5° |
