41Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.51Å | 1.49Å | |
| O22 | C21 | doub | 1.22Å | 1.22Å | |
| N25 | C03 | doub | 1.31Å | 1.34Å | Aromatic |
| N25 | C24 | sing | 1.33Å | 1.34Å | Aromatic |
| C21 | N23 | sing | 1.35Å | 1.36Å | |
| C21 | C20 | sing | 1.47Å | 1.48Å | |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C20 | doub | 1.42Å | 1.39Å | Aromatic |
| C24 | C16 | sing | 1.42Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C05 | sing | 1.42Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | N06 | sing | 1.38Å | 1.43Å | |
| C17 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| C07 | N06 | sing | 1.47Å | 1.47Å | |
| C07 | C08 | sing | 1.51Å | 1.51Å | |
| C10 | C09 | sing | 1.51Å | 1.48Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| N06 | H13 | sing | 0.97Å | 1.00Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N23 | H20 | sing | 0.97Å | 1.00Å | |
| N23 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | N25 | 116.7° | 119.1° |
| C02 | C03 | C04 | 119.6° | 119.1° |
| C03 | C02 | H9 | 109.5° | 109.4° |
| C03 | C02 | H10 | 109.5° | 109.5° |
| C03 | C02 | H11 | 109.5° | 109.5° |
| O22 | C21 | N23 | 123.3° | 120.0° |
| O22 | C21 | C20 | 123.1° | 120.0° |
| C03 | N25 | C24 | 117.5° | 121.7° |
| N25 | C03 | C04 | 123.7° | 121.9° |
| N25 | C24 | C20 | 121.9° | 121.0° |
| N25 | C24 | C16 | 121.3° | 120.1° |
| N23 | C21 | C20 | 113.7° | 120.0° |
| C21 | N23 | H20 | 120.0° | 120.0° |
| C21 | N23 | H21 | 120.0° | 120.0° |
| C21 | C20 | C24 | 122.5° | 120.3° |
| C21 | C20 | C19 | 115.7° | 120.3° |
| C03 | C04 | C05 | 119.9° | 119.6° |
| C03 | C04 | H12 | 120.1° | 120.2° |
| C20 | C24 | C16 | 116.8° | 118.9° |
| C24 | C20 | C19 | 121.8° | 119.4° |
| C24 | C16 | C05 | 121.0° | 118.9° |
| C24 | C16 | C17 | 121.4° | 119.9° |
| C04 | C05 | C16 | 116.6° | 117.9° |
| C04 | C05 | N06 | 124.2° | 121.0° |
| C05 | C04 | H12 | 120.0° | 120.2° |
| C20 | C19 | C18 | 120.2° | 120.7° |
| C20 | C19 | H19 | 119.9° | 119.7° |
| C05 | C16 | C17 | 117.6° | 121.3° |
| C16 | C05 | N06 | 119.2° | 121.1° |
| C16 | C17 | C18 | 120.3° | 120.1° |
| C16 | C17 | H8 | 119.8° | 119.9° |
| C19 | C18 | C17 | 119.5° | 121.0° |
| C19 | C18 | H18 | 120.2° | 119.5° |
| C18 | C19 | H19 | 119.9° | 119.7° |
| C05 | N06 | C07 | 117.5° | 120.0° |
| C05 | N06 | H13 | 107.5° | 120.0° |
| C18 | C17 | H8 | 119.8° | 119.9° |
| C17 | C18 | H18 | 120.3° | 119.5° |
| N06 | C07 | C08 | 112.6° | 109.5° |
| C07 | N06 | H13 | 107.4° | 120.0° |
| N06 | C07 | H14 | 108.7° | 109.5° |
| N06 | C07 | H15 | 108.7° | 109.5° |
| C07 | C08 | C09 | 121.4° | 120.0° |
| C07 | C08 | C14 | 120.8° | 120.0° |
| C08 | C07 | H14 | 108.7° | 109.4° |
| C08 | C07 | H15 | 108.7° | 109.5° |
| C10 | C09 | C08 | 122.1° | 120.0° |
| C10 | C09 | C11 | 116.9° | 120.0° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.4° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C09 | C08 | C14 | 117.8° | 120.0° |
| C08 | C09 | C11 | 121.0° | 120.0° |
| C08 | C14 | C15 | 121.6° | 120.0° |
| C08 | C14 | C13 | 120.9° | 120.0° |
| C09 | C11 | C12 | 120.9° | 120.0° |
| C09 | C11 | H16 | 119.6° | 120.0° |
| C15 | C14 | C13 | 117.5° | 120.0° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.4° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C14 | C13 | C12 | 121.1° | 120.0° |
| C14 | C13 | H4 | 119.5° | 120.0° |
| C11 | C12 | C13 | 118.4° | 120.0° |
| C12 | C11 | H16 | 119.5° | 120.0° |
| C11 | C12 | H17 | 120.8° | 120.0° |
| C12 | C13 | H4 | 119.4° | 120.0° |
| C13 | C12 | H17 | 120.8° | 120.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H5 | C15 | H7 | 109.4° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H9 | C02 | H11 | 109.5° | 109.5° |
| H10 | C02 | H11 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H20 | N23 | H21 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | N25 | C04 | 179.9° | 179.2° |
| C02 | C03 | N25 | C24 | 179.8° | 179.8° |
| C02 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | C02 | H9 | H10 | 120.0° | 120.0° |
| C03 | C02 | H9 | H11 | 120.0° | 120.0° |
| C03 | C02 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | C04 | H12 | 0.1° | 0.1° |
| O22 | C21 | N23 | C20 | 179.7° | 179.9° |
| O22 | C21 | C20 | C24 | 2.6° | 0.6° |
| O22 | C21 | C20 | C19 | 177.8° | 180.0° |
| O22 | C21 | N23 | H20 | 0.0° | 180.0° |
| O22 | C21 | N23 | H21 | 180.0° | 0.1° |
| C03 | N25 | C24 | C20 | 179.6° | 179.9° |
| C03 | N25 | C24 | C16 | 0.2° | 0.8° |
| N25 | C03 | C04 | C05 | 0.2° | 0.8° |
| N25 | C03 | C02 | H9 | 0.0° | 90.8° |
| N25 | C03 | C02 | H10 | 120.0° | 29.2° |
| N25 | C03 | C02 | H11 | 120.0° | 149.2° |
| N25 | C03 | C04 | H12 | 179.8° | 179.3° |
| N25 | C24 | C20 | C21 | 0.1° | 0.6° |
| C24 | N25 | C03 | C04 | 0.3° | 1.1° |
| N25 | C24 | C20 | C16 | 179.8° | 179.1° |
| N25 | C24 | C20 | C19 | 179.7° | 180.0° |
| N25 | C24 | C16 | C05 | 0.1° | 0.3° |
| N25 | C24 | C16 | C17 | 179.7° | 179.7° |
| N23 | C21 | C20 | C24 | 177.1° | 179.4° |
| N23 | C21 | C20 | C19 | 2.5° | 0.1° |
| C21 | N23 | H20 | H21 | 180.0° | 179.9° |
| C21 | C20 | C24 | C19 | 179.6° | 179.4° |
| C21 | C20 | C24 | C16 | 179.7° | 179.7° |
| C21 | C20 | C19 | C18 | 179.8° | 180.0° |
| C21 | C20 | C19 | H19 | 0.3° | 0.6° |
| C20 | C21 | N23 | H20 | 179.7° | 0.0° |
| C20 | C21 | N23 | H21 | 0.3° | 180.0° |
| C03 | C04 | C05 | H12 | 180.0° | 179.9° |
| C03 | C04 | C05 | C16 | 0.1° | 0.3° |
| C03 | C04 | C05 | N06 | 179.9° | 179.8° |
| C04 | C03 | C02 | H9 | 179.9° | 90.0° |
| C04 | C03 | C02 | H10 | 60.1° | 150.0° |
| C04 | C03 | C02 | H11 | 59.9° | 30.0° |
| C20 | C24 | C16 | C05 | 179.9° | 179.4° |
| C20 | C24 | C16 | C17 | 0.1° | 0.6° |
| C24 | C20 | C19 | C18 | 0.1° | 0.6° |
| C24 | C20 | C19 | H19 | 179.9° | 180.0° |
| C24 | C16 | C05 | C04 | 0.2° | 0.1° |
| C16 | C24 | C20 | C19 | 0.1° | 0.9° |
| C24 | C16 | C05 | C17 | 179.8° | 180.0° |
| C24 | C16 | C05 | N06 | 179.8° | 180.0° |
| C24 | C16 | C17 | C18 | 0.0° | 0.0° |
| C24 | C16 | C17 | H8 | 180.0° | 179.7° |
| C04 | C05 | C16 | N06 | 180.0° | 179.9° |
| C04 | C05 | C16 | C17 | 179.6° | 180.0° |
| C04 | C05 | N06 | C07 | 2.1° | 0.0° |
| C04 | C05 | N06 | H13 | 123.3° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.4° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C05 | C16 | C17 | C18 | 179.9° | 180.0° |
| C16 | C05 | N06 | C07 | 177.9° | 180.0° |
| C05 | C16 | C17 | H8 | 0.1° | 0.2° |
| C16 | C05 | C04 | H12 | 179.9° | 179.8° |
| C16 | C05 | N06 | H13 | 56.7° | 0.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.2° |
| C17 | C16 | C05 | N06 | 0.4° | 0.0° |
| C16 | C17 | C18 | H8 | 180.0° | 179.8° |
| C16 | C17 | C18 | H18 | 180.0° | 179.8° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | H8 | 180.0° | 180.0° |
| C05 | N06 | C07 | H13 | 121.2° | 180.0° |
| C05 | N06 | C07 | C08 | 176.2° | 180.0° |
| N06 | C05 | C04 | H12 | 0.1° | 0.2° |
| C05 | N06 | C07 | H14 | 63.3° | 60.0° |
| C05 | N06 | C07 | H15 | 55.7° | 60.0° |
| C17 | C18 | C19 | H19 | 180.0° | 179.5° |
| N06 | C07 | C08 | H14 | 120.5° | 120.0° |
| N06 | C07 | C08 | H15 | 120.5° | 120.0° |
| N06 | C07 | C08 | C09 | 97.4° | 90.0° |
| N06 | C07 | C08 | C14 | 82.5° | 90.0° |
| N06 | C07 | H14 | H15 | 118.6° | 120.0° |
| C07 | C08 | C09 | C10 | 0.0° | 0.1° |
| C07 | C08 | C09 | C14 | 179.9° | 180.0° |
| C07 | C08 | C09 | C11 | 180.0° | 179.7° |
| C07 | C08 | C14 | C15 | 0.3° | 0.0° |
| C07 | C08 | C14 | C13 | 180.0° | 180.0° |
| C08 | C07 | N06 | H13 | 55.0° | 0.0° |
| C08 | C07 | H14 | H15 | 118.6° | 120.0° |
| C10 | C09 | C08 | C11 | 179.9° | 179.7° |
| C10 | C09 | C08 | C14 | 179.9° | 179.9° |
| C10 | C09 | C11 | C12 | 179.9° | 179.8° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | C11 | H16 | 0.1° | 0.1° |
| C09 | C08 | C14 | C15 | 179.7° | 180.0° |
| C09 | C08 | C14 | C13 | 0.1° | 0.0° |
| C08 | C09 | C11 | C12 | 0.2° | 0.6° |
| C08 | C09 | C10 | H1 | 90.0° | 90.0° |
| C08 | C09 | C10 | H2 | 150.1° | 150.0° |
| C08 | C09 | C10 | H3 | 30.0° | 30.1° |
| C09 | C08 | C07 | H14 | 142.2° | 30.0° |
| C09 | C08 | C07 | H15 | 23.1° | 150.1° |
| C08 | C09 | C11 | H16 | 179.8° | 179.7° |
| C14 | C08 | C09 | C11 | 0.0° | 0.3° |
| C08 | C14 | C15 | C13 | 179.7° | 180.0° |
| C08 | C14 | C13 | C12 | 0.0° | 0.1° |
| C08 | C14 | C13 | H4 | 180.0° | 179.7° |
| C08 | C14 | C15 | H5 | 90.1° | 90.1° |
| C08 | C14 | C15 | H6 | 149.9° | 150.0° |
| C08 | C14 | C15 | H7 | 29.9° | 29.9° |
| C14 | C08 | C07 | H14 | 37.9° | 150.0° |
| C14 | C08 | C07 | H15 | 157.0° | 30.0° |
| C09 | C11 | C12 | H16 | 180.0° | 179.7° |
| C09 | C11 | C12 | C13 | 0.3° | 0.5° |
| C11 | C09 | C10 | H1 | 90.0° | 89.7° |
| C11 | C09 | C10 | H2 | 30.0° | 30.3° |
| C11 | C09 | C10 | H3 | 150.1° | 150.3° |
| C09 | C11 | C12 | H17 | 179.7° | 179.4° |
| C15 | C14 | C13 | C12 | 179.8° | 179.9° |
| C15 | C14 | C13 | H4 | 0.2° | 0.3° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.1° |
| C14 | C13 | C12 | C11 | 0.2° | 0.2° |
| C14 | C13 | C12 | H4 | 180.0° | 179.8° |
| C13 | C14 | C15 | H5 | 90.1° | 90.0° |
| C13 | C14 | C15 | H6 | 29.9° | 30.0° |
| C13 | C14 | C15 | H7 | 149.9° | 150.1° |
| C14 | C13 | C12 | H17 | 179.8° | 179.8° |
| C11 | C12 | C13 | H17 | 180.0° | 180.0° |
| C11 | C12 | C13 | H4 | 179.8° | 180.0° |
| C13 | C12 | C11 | H16 | 179.7° | 179.7° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C13 | C12 | H17 | 0.3° | 0.0° |
| H5 | C15 | H6 | H7 | 120.0° | 119.9° |
| H8 | C17 | C18 | H18 | 0.0° | 0.0° |
| H9 | C02 | H10 | H11 | 120.0° | 120.1° |
| H13 | N06 | C07 | H14 | 175.5° | 120.0° |
| H13 | N06 | C07 | H15 | 65.4° | 120.0° |
| H16 | C11 | C12 | H17 | 0.3° | 0.3° |
| H18 | C18 | C19 | H19 | 0.0° | 0.5° |
