A1LZT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C02 | sing | 1.39Å | 1.47Å | |
| C02 | N03 | doub | 1.32Å | 1.33Å | Aromatic |
| C02 | N01 | sing | 1.32Å | 1.32Å | Aromatic |
| N03 | C04 | sing | 1.33Å | 1.32Å | Aromatic |
| N01 | C06 | doub | 1.33Å | 1.32Å | Aromatic |
| C04 | C08 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.39Å | 1.45Å | |
| C08 | C09 | sing | 1.53Å | 1.51Å | |
| C05 | O11 | sing | 1.36Å | 1.42Å | |
| O11 | C12 | sing | 1.43Å | 1.40Å | |
| O30 | C28 | doub | 1.22Å | 1.26Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C25 | sing | 1.48Å | 1.55Å | |
| C28 | O29 | sing | 1.35Å | 1.26Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C19 | sing | 1.48Å | 1.52Å | |
| C22 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | O15 | sing | 1.36Å | 1.43Å | |
| C16 | C21 | doub | 1.39Å | 1.37Å | Aromatic |
| O15 | C14 | sing | 1.43Å | 1.40Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| N07 | H20 | sing | 0.97Å | 1.00Å | |
| N07 | H21 | sing | 0.97Å | 1.00Å | |
| N10 | H22 | sing | 0.97Å | 1.00Å | |
| N10 | H23 | sing | 0.97Å | 1.00Å | |
| O29 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C02 | N03 | 118.3° | 119.1° |
| N10 | C02 | N01 | 119.7° | 119.2° |
| C02 | N10 | H22 | 109.5° | 120.0° |
| C02 | N10 | H23 | 109.4° | 120.0° |
| N03 | C02 | N01 | 122.0° | 121.7° |
| C02 | N03 | C04 | 119.3° | 121.0° |
| C02 | N01 | C06 | 121.6° | 120.7° |
| N03 | C04 | C08 | 120.7° | 120.4° |
| N03 | C04 | C05 | 120.1° | 119.2° |
| N01 | C06 | C05 | 117.7° | 119.0° |
| N01 | C06 | N07 | 121.9° | 120.5° |
| C08 | C04 | C05 | 119.2° | 120.4° |
| C04 | C08 | C09 | 110.2° | 109.5° |
| C04 | C08 | H5 | 109.3° | 109.4° |
| C04 | C08 | H6 | 109.3° | 109.5° |
| C04 | C05 | C06 | 119.3° | 118.4° |
| C04 | C05 | O11 | 119.9° | 120.8° |
| C05 | C06 | N07 | 120.4° | 120.5° |
| C06 | C05 | O11 | 120.7° | 120.8° |
| C06 | N07 | H20 | 109.5° | 120.0° |
| C06 | N07 | H21 | 109.5° | 120.0° |
| C09 | C08 | H5 | 109.3° | 109.5° |
| C09 | C08 | H6 | 109.3° | 109.5° |
| C08 | C09 | H7 | 109.5° | 109.5° |
| C08 | C09 | H8 | 109.4° | 109.5° |
| C08 | C09 | H9 | 109.5° | 109.5° |
| C05 | O11 | C12 | 116.3° | 117.0° |
| O11 | C12 | C13 | 108.2° | 109.4° |
| O11 | C12 | H1 | 109.8° | 109.5° |
| O11 | C12 | H2 | 109.8° | 109.5° |
| O30 | C28 | C25 | 120.2° | 120.0° |
| O30 | C28 | O29 | 118.0° | 120.0° |
| C12 | C13 | C14 | 114.1° | 109.4° |
| C13 | C12 | H1 | 109.8° | 109.4° |
| C13 | C12 | H2 | 109.8° | 109.5° |
| C12 | C13 | H10 | 108.3° | 109.5° |
| C12 | C13 | H11 | 108.3° | 109.5° |
| C23 | C24 | C25 | 120.4° | 120.0° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C24 | C23 | H18 | 119.9° | 120.0° |
| C23 | C24 | H19 | 119.8° | 120.0° |
| C24 | C25 | C28 | 120.0° | 120.0° |
| C24 | C25 | C26 | 119.2° | 119.9° |
| C25 | C24 | H19 | 119.8° | 120.0° |
| C23 | C22 | C19 | 119.8° | 120.0° |
| C23 | C22 | C27 | 120.1° | 120.0° |
| C22 | C23 | H18 | 120.0° | 120.0° |
| C25 | C28 | O29 | 121.7° | 120.0° |
| C28 | C25 | C26 | 120.8° | 120.0° |
| C28 | O29 | H24 | 109.5° | 117.0° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H14 | 120.0° | 120.0° |
| C17 | C18 | H15 | 120.2° | 120.0° |
| C18 | C19 | C22 | 121.3° | 120.1° |
| C18 | C19 | C20 | 120.0° | 119.8° |
| C19 | C18 | H15 | 120.1° | 120.0° |
| C17 | C16 | O15 | 120.3° | 119.9° |
| C17 | C16 | C21 | 119.6° | 120.2° |
| C16 | C17 | H14 | 119.9° | 120.0° |
| C25 | C26 | C27 | 120.9° | 120.0° |
| C25 | C26 | H3 | 119.6° | 120.0° |
| C19 | C22 | C27 | 120.0° | 120.0° |
| C22 | C19 | C20 | 118.5° | 120.1° |
| C22 | C27 | C26 | 119.4° | 120.0° |
| C22 | C27 | H4 | 120.3° | 120.0° |
| C19 | C20 | C21 | 120.2° | 119.9° |
| C19 | C20 | H16 | 119.9° | 120.0° |
| O15 | C16 | C21 | 120.1° | 120.0° |
| C16 | O15 | C14 | 117.0° | 117.0° |
| C16 | C21 | C20 | 120.3° | 120.1° |
| C16 | C21 | H17 | 119.8° | 119.9° |
| O15 | C14 | C13 | 105.6° | 109.5° |
| O15 | C14 | H12 | 110.4° | 109.5° |
| O15 | C14 | H13 | 110.4° | 109.5° |
| C14 | C13 | H10 | 108.3° | 109.4° |
| C14 | C13 | H11 | 108.3° | 109.4° |
| C13 | C14 | H12 | 110.4° | 109.5° |
| C13 | C14 | H13 | 110.4° | 109.4° |
| C27 | C26 | H3 | 119.5° | 120.0° |
| C26 | C27 | H4 | 120.3° | 120.0° |
| C21 | C20 | H16 | 119.9° | 120.0° |
| C20 | C21 | H17 | 119.8° | 120.0° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H5 | C08 | H6 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.4° |
| H7 | C09 | H9 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H20 | N07 | H21 | 109.5° | 120.0° |
| H22 | N10 | H23 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C02 | N03 | N01 | 179.8° | 179.8° |
| N10 | C02 | N03 | C04 | 179.9° | 179.7° |
| N10 | C02 | N01 | C06 | 179.9° | 179.7° |
| C02 | N10 | H22 | H23 | 120.0° | 180.0° |
| N03 | C02 | N01 | C06 | 0.1° | 0.1° |
| C02 | N03 | C04 | C08 | 179.5° | 180.0° |
| C02 | N03 | C04 | C05 | 0.8° | 0.1° |
| N03 | C02 | N10 | H22 | 0.0° | 0.0° |
| N03 | C02 | N10 | H23 | 120.0° | 180.0° |
| N01 | C02 | N03 | C04 | 0.3° | 0.1° |
| C02 | N01 | C06 | C05 | 0.4° | 0.0° |
| C02 | N01 | C06 | N07 | 180.0° | 180.0° |
| N01 | C02 | N10 | H22 | 179.8° | 179.8° |
| N01 | C02 | N10 | H23 | 60.2° | 0.3° |
| N03 | C04 | C08 | C05 | 178.7° | 179.9° |
| N03 | C04 | C05 | C06 | 1.1° | 0.1° |
| N03 | C04 | C08 | C09 | 80.9° | 90.0° |
| N03 | C04 | C05 | O11 | 179.7° | 180.0° |
| N03 | C04 | C08 | H5 | 39.2° | 30.0° |
| N03 | C04 | C08 | H6 | 159.0° | 149.9° |
| N01 | C06 | C05 | C04 | 0.9° | 0.0° |
| N01 | C06 | C05 | N07 | 179.6° | 180.0° |
| N01 | C06 | C05 | O11 | 179.9° | 180.0° |
| N01 | C06 | N07 | H20 | 0.0° | 180.0° |
| N01 | C06 | N07 | H21 | 120.0° | 0.0° |
| C08 | C04 | C05 | C06 | 179.8° | 180.0° |
| C04 | C08 | C09 | H5 | 120.1° | 120.0° |
| C04 | C08 | C09 | H6 | 120.1° | 120.0° |
| C08 | C04 | C05 | O11 | 1.0° | 0.0° |
| C04 | C08 | H5 | H6 | 119.6° | 120.0° |
| C04 | C08 | C09 | H7 | 180.0° | 180.0° |
| C04 | C08 | C09 | H8 | 60.0° | 60.0° |
| C04 | C08 | C09 | H9 | 60.0° | 60.0° |
| C04 | C05 | C06 | O11 | 179.2° | 180.0° |
| C04 | C05 | C06 | N07 | 179.6° | 180.0° |
| C05 | C04 | C08 | C09 | 100.3° | 90.0° |
| C04 | C05 | O11 | C12 | 98.8° | 90.0° |
| C05 | C04 | C08 | H5 | 139.6° | 150.0° |
| C05 | C04 | C08 | H6 | 19.8° | 30.0° |
| C06 | C05 | O11 | C12 | 82.0° | 90.0° |
| C05 | C06 | N07 | H20 | 179.6° | 0.0° |
| C05 | C06 | N07 | H21 | 60.4° | 180.0° |
| N07 | C06 | C05 | O11 | 0.3° | 0.0° |
| C06 | N07 | H20 | H21 | 120.0° | 180.0° |
| C09 | C08 | H5 | H6 | 119.7° | 120.1° |
| C08 | C09 | H7 | H8 | 120.0° | 120.0° |
| C08 | C09 | H7 | H9 | 120.0° | 120.0° |
| C08 | C09 | H8 | H9 | 120.0° | 120.0° |
| C05 | O11 | C12 | C13 | 178.9° | 180.0° |
| C05 | O11 | C12 | H1 | 61.3° | 60.0° |
| C05 | O11 | C12 | H2 | 59.1° | 60.0° |
| O11 | C12 | C13 | H1 | 119.8° | 120.0° |
| O11 | C12 | C13 | H2 | 119.8° | 120.0° |
| O11 | C12 | C13 | C14 | 62.9° | 180.0° |
| O11 | C12 | H1 | H2 | 120.6° | 120.0° |
| O11 | C12 | C13 | H10 | 176.4° | 60.1° |
| O11 | C12 | C13 | H11 | 57.8° | 60.0° |
| O30 | C28 | C25 | C24 | 52.9° | 179.7° |
| O30 | C28 | C25 | O29 | 179.8° | 179.9° |
| O30 | C28 | C25 | C26 | 127.1° | 0.1° |
| O30 | C28 | O29 | H24 | 0.0° | 0.1° |
| C12 | C13 | C14 | O15 | 71.3° | 180.0° |
| C12 | C13 | C14 | H10 | 120.7° | 120.0° |
| C12 | C13 | C14 | H11 | 120.7° | 120.0° |
| C13 | C12 | H1 | H2 | 120.6° | 120.0° |
| C12 | C13 | H10 | H11 | 117.9° | 120.1° |
| C12 | C13 | C14 | H12 | 48.1° | 60.0° |
| C12 | C13 | C14 | H13 | 169.3° | 60.0° |
| C23 | C24 | C25 | H19 | 180.0° | 179.9° |
| C24 | C23 | C22 | H18 | 180.0° | 179.9° |
| C23 | C24 | C25 | C28 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C23 | C22 | C19 | 177.9° | 180.0° |
| C24 | C23 | C22 | C27 | 1.5° | 0.0° |
| C25 | C24 | C23 | C22 | 0.8° | 0.0° |
| C24 | C25 | C28 | C26 | 180.0° | 179.8° |
| C24 | C25 | C28 | O29 | 127.3° | 0.2° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C24 | C25 | C26 | H3 | 180.0° | 180.0° |
| C25 | C24 | C23 | H18 | 179.2° | 179.9° |
| C23 | C22 | C19 | C18 | 7.7° | 0.1° |
| C23 | C22 | C19 | C27 | 176.4° | 180.0° |
| C23 | C22 | C19 | C20 | 168.4° | 180.0° |
| C23 | C22 | C27 | C26 | 1.4° | 0.0° |
| C23 | C22 | C27 | H4 | 178.5° | 180.0° |
| C22 | C23 | C24 | H19 | 179.2° | 179.9° |
| C28 | C25 | C26 | C27 | 180.0° | 179.7° |
| C28 | C25 | C26 | H3 | 0.0° | 0.2° |
| C28 | C25 | C24 | H19 | 0.1° | 0.1° |
| C25 | C28 | O29 | H24 | 179.8° | 180.0° |
| O29 | C28 | C25 | C26 | 52.7° | 180.0° |
| C17 | C18 | C19 | H15 | 180.0° | 179.9° |
| C18 | C17 | C16 | H14 | 180.0° | 180.0° |
| C17 | C18 | C19 | C22 | 177.8° | 180.0° |
| C17 | C18 | C19 | C20 | 1.7° | 0.0° |
| C18 | C17 | C16 | O15 | 179.9° | 180.0° |
| C18 | C17 | C16 | C21 | 0.3° | 0.3° |
| C19 | C18 | C17 | C16 | 0.7° | 0.0° |
| C18 | C19 | C22 | C20 | 176.1° | 180.0° |
| C18 | C19 | C22 | C27 | 175.9° | 180.0° |
| C18 | C19 | C20 | C21 | 1.8° | 0.3° |
| C19 | C18 | C17 | H14 | 179.3° | 180.0° |
| C18 | C19 | C20 | H16 | 178.1° | 180.0° |
| C17 | C16 | O15 | C21 | 179.8° | 179.7° |
| C17 | C16 | O15 | C14 | 174.8° | 0.3° |
| C17 | C16 | C21 | C20 | 0.2° | 0.6° |
| C16 | C17 | C18 | H15 | 179.3° | 180.0° |
| C17 | C16 | C21 | H17 | 179.9° | 179.7° |
| C25 | C26 | C27 | C22 | 0.7° | 0.0° |
| C25 | C26 | C27 | H3 | 180.0° | 179.9° |
| C25 | C26 | C27 | H4 | 179.3° | 180.0° |
| C26 | C25 | C24 | H19 | 179.9° | 180.0° |
| C19 | C22 | C27 | C26 | 177.9° | 180.0° |
| C22 | C19 | C20 | C21 | 178.0° | 179.7° |
| C19 | C22 | C27 | H4 | 2.1° | 0.0° |
| C22 | C19 | C18 | H15 | 2.3° | 0.1° |
| C22 | C19 | C20 | H16 | 2.0° | 0.0° |
| C19 | C22 | C23 | H18 | 2.1° | 0.1° |
| C27 | C22 | C19 | C20 | 8.0° | 0.0° |
| C22 | C27 | C26 | H4 | 180.0° | 180.0° |
| C22 | C27 | C26 | H3 | 179.3° | 180.0° |
| C27 | C22 | C23 | H18 | 178.5° | 180.0° |
| C19 | C20 | C21 | C16 | 0.9° | 0.6° |
| C19 | C20 | C21 | H16 | 180.0° | 179.7° |
| C20 | C19 | C18 | H15 | 178.3° | 180.0° |
| C19 | C20 | C21 | H17 | 179.1° | 179.7° |
| C16 | O15 | C14 | C13 | 167.0° | 180.0° |
| O15 | C16 | C21 | C20 | 180.0° | 179.7° |
| C16 | O15 | C14 | H12 | 47.7° | 60.0° |
| C16 | O15 | C14 | H13 | 73.6° | 60.0° |
| O15 | C16 | C17 | H14 | 0.1° | 0.0° |
| O15 | C16 | C21 | H17 | 0.0° | 0.0° |
| C21 | C16 | O15 | C14 | 5.0° | 180.0° |
| C16 | C21 | C20 | H17 | 180.0° | 179.7° |
| C21 | C16 | C17 | H14 | 179.8° | 179.7° |
| C16 | C21 | C20 | H16 | 179.1° | 179.7° |
| O15 | C14 | C13 | H12 | 119.4° | 120.0° |
| O15 | C14 | C13 | H13 | 119.4° | 120.0° |
| O15 | C14 | C13 | H10 | 49.4° | 60.0° |
| O15 | C14 | C13 | H11 | 168.0° | 60.0° |
| O15 | C14 | H12 | H13 | 121.8° | 120.0° |
| C14 | C13 | C12 | H1 | 56.9° | 60.0° |
| C14 | C13 | C12 | H2 | 177.3° | 60.0° |
| C14 | C13 | H10 | H11 | 117.9° | 120.0° |
| C13 | C14 | H12 | H13 | 121.8° | 120.0° |
| H1 | C12 | C13 | H10 | 63.8° | 59.9° |
| H1 | C12 | C13 | H11 | 177.6° | 180.0° |
| H2 | C12 | C13 | H10 | 56.6° | 180.0° |
| H2 | C12 | C13 | H11 | 62.0° | 59.9° |
| H3 | C26 | C27 | H4 | 0.7° | 0.0° |
| H5 | C08 | C09 | H7 | 59.9° | 60.1° |
| H5 | C08 | C09 | H8 | 179.9° | 180.0° |
| H5 | C08 | C09 | H9 | 60.1° | 60.0° |
| H6 | C08 | C09 | H7 | 59.9° | 60.0° |
| H6 | C08 | C09 | H8 | 60.1° | 60.0° |
| H6 | C08 | C09 | H9 | 179.9° | 180.0° |
| H7 | C09 | H8 | H9 | 120.0° | 120.0° |
| H10 | C13 | C14 | H12 | 168.8° | 180.0° |
| H10 | C13 | C14 | H13 | 70.0° | 60.0° |
| H11 | C13 | C14 | H12 | 72.6° | 60.0° |
| H11 | C13 | C14 | H13 | 48.6° | 180.0° |
| H14 | C17 | C18 | H15 | 0.7° | 0.1° |
| H16 | C20 | C21 | H17 | 0.9° | 0.0° |
| H18 | C23 | C24 | H19 | 0.8° | 0.0° |
