Z04
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C11 | sing | 1.39Å | 1.31Å | |
| N01 | C16 | sing | 1.46Å | 1.50Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N02 | C15 | sing | 1.35Å | 1.37Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| N02 | HN0A | sing | 0.97Å | 1.00Å | |
| N03 | C18 | doub | 1.32Å | 1.36Å | Aromatic |
| N03 | C19 | sing | 1.33Å | 1.36Å | Aromatic |
| N04 | C19 | doub | 1.32Å | 1.37Å | Aromatic |
| N04 | C20 | sing | 1.32Å | 1.37Å | Aromatic |
| N05 | C13 | sing | 1.39Å | 1.32Å | |
| N05 | C21 | sing | 1.47Å | 1.50Å | |
| N05 | C23 | sing | 1.47Å | 1.51Å | |
| N06 | C19 | sing | 1.38Å | 1.28Å | |
| N06 | HN06 | sing | 0.97Å | 1.00Å | |
| N06 | HN0B | sing | 0.97Å | 1.00Å | |
| N07 | C14 | sing | 1.48Å | 1.30Å | |
| N07 | O27 | doub | 1.22Å | 1.30Å | |
| N07 | O28 | sing | 1.22Å | 1.33Å | |
| C08 | C09 | doub | 1.40Å | 1.42Å | Aromatic |
| C08 | C14 | sing | 1.36Å | 1.44Å | Aromatic |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | C11 | sing | 1.41Å | 1.44Å | Aromatic |
| C09 | C15 | sing | 1.47Å | 1.40Å | |
| C11 | C12 | doub | 1.39Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.39Å | 1.47Å | Aromatic |
| C15 | O25 | doub | 1.22Å | 1.21Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | O26 | sing | 1.43Å | 1.42Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | O26 | sing | 1.43Å | 1.41Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N01 | C16 | 125.0° | 120.0° |
| C11 | N01 | HN01 | 104.6° | 120.0° |
| N01 | C11 | C09 | 120.0° | 120.2° |
| N01 | C11 | C12 | 121.1° | 120.2° |
| C16 | N01 | HN01 | 104.6° | 120.0° |
| N01 | C16 | C17 | 109.5° | 109.5° |
| N01 | C16 | H16 | 109.5° | 109.5° |
| N01 | C16 | H16A | 109.5° | 109.5° |
| C15 | N02 | HN02 | 120.0° | 120.0° |
| C15 | N02 | HN0A | 120.0° | 120.0° |
| N02 | C15 | C09 | 120.4° | 120.0° |
| N02 | C15 | O25 | 118.4° | 120.0° |
| HN02 | N02 | HN0A | 120.0° | 120.0° |
| C18 | N03 | C19 | 116.2° | 120.7° |
| N03 | C18 | C17 | 123.8° | 119.2° |
| N03 | C18 | H18 | 118.1° | 120.4° |
| N03 | C19 | N04 | 125.4° | 121.6° |
| N03 | C19 | N06 | 117.2° | 119.2° |
| C19 | N04 | C20 | 115.9° | 120.7° |
| N04 | C19 | N06 | 117.4° | 119.2° |
| N04 | C20 | C17 | 123.6° | 119.2° |
| N04 | C20 | H20 | 118.2° | 120.4° |
| C13 | N05 | C21 | 119.2° | 111.0° |
| C13 | N05 | C23 | 120.3° | 111.0° |
| N05 | C13 | C12 | 117.2° | 119.9° |
| N05 | C13 | C14 | 124.8° | 119.8° |
| C21 | N05 | C23 | 120.5° | 110.7° |
| N05 | C21 | C22 | 112.9° | 109.3° |
| N05 | C21 | H21 | 108.3° | 109.5° |
| N05 | C21 | H21A | 108.3° | 109.5° |
| N05 | C23 | C24 | 112.8° | 109.3° |
| N05 | C23 | H23 | 108.4° | 109.5° |
| N05 | C23 | H23A | 108.4° | 109.5° |
| C19 | N06 | HN06 | 109.5° | 120.0° |
| C19 | N06 | HN0B | 109.5° | 120.0° |
| HN06 | N06 | HN0B | 109.4° | 120.0° |
| C14 | N07 | O27 | 122.0° | 120.0° |
| C14 | N07 | O28 | 120.5° | 120.0° |
| N07 | C14 | C08 | 117.4° | 119.8° |
| N07 | C14 | C13 | 124.3° | 119.8° |
| O27 | N07 | O28 | 117.5° | 120.0° |
| C09 | C08 | C14 | 122.8° | 120.1° |
| C09 | C08 | H08 | 118.6° | 120.0° |
| C08 | C09 | C11 | 119.1° | 119.7° |
| C08 | C09 | C15 | 118.8° | 120.2° |
| C14 | C08 | H08 | 118.6° | 119.9° |
| C08 | C14 | C13 | 118.3° | 120.4° |
| C11 | C09 | C15 | 122.1° | 120.1° |
| C09 | C11 | C12 | 118.9° | 119.6° |
| C09 | C15 | O25 | 121.1° | 120.0° |
| C11 | C12 | C13 | 122.9° | 119.9° |
| C11 | C12 | H12 | 118.5° | 120.1° |
| C13 | C12 | H12 | 118.6° | 120.1° |
| C12 | C13 | C14 | 118.1° | 120.3° |
| C17 | C16 | H16 | 109.5° | 109.4° |
| C17 | C16 | H16A | 109.5° | 109.4° |
| C16 | C17 | C18 | 122.4° | 120.7° |
| C16 | C17 | C20 | 122.5° | 120.7° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| C18 | C17 | C20 | 115.1° | 118.5° |
| C17 | C18 | H18 | 118.1° | 120.4° |
| C17 | C20 | H20 | 118.2° | 120.4° |
| C22 | C21 | H21 | 108.3° | 109.5° |
| C22 | C21 | H21A | 108.4° | 109.5° |
| C21 | C22 | O26 | 108.0° | 109.2° |
| C21 | C22 | H22 | 109.9° | 109.5° |
| C21 | C22 | H22A | 109.9° | 109.5° |
| H21 | C21 | H21A | 110.6° | 109.5° |
| O26 | C22 | H22 | 110.0° | 109.5° |
| O26 | C22 | H22A | 110.0° | 109.5° |
| C22 | O26 | C24 | 108.7° | 113.8° |
| H22 | C22 | H22A | 109.0° | 109.6° |
| C24 | C23 | H23 | 108.4° | 109.5° |
| C24 | C23 | H23A | 108.4° | 109.5° |
| C23 | C24 | O26 | 107.8° | 109.3° |
| C23 | C24 | H24 | 110.0° | 109.5° |
| C23 | C24 | H24A | 110.0° | 109.5° |
| H23 | C23 | H23A | 110.5° | 109.5° |
| O26 | C24 | H24 | 110.0° | 109.5° |
| O26 | C24 | H24A | 110.0° | 109.5° |
| H24 | C24 | H24A | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N01 | C16 | HN01 | 120.0° | 179.7° |
| N01 | C11 | C09 | C08 | 179.5° | 179.9° |
| N01 | C11 | C09 | C12 | 179.9° | 179.9° |
| N01 | C11 | C09 | C15 | 0.1° | 0.0° |
| N01 | C11 | C12 | C13 | 179.7° | 180.0° |
| N01 | C11 | C12 | H12 | 0.2° | 0.1° |
| C11 | N01 | C16 | C17 | 82.8° | 180.0° |
| C11 | N01 | C16 | H16 | 157.2° | 60.0° |
| C11 | N01 | C16 | H16A | 37.2° | 60.0° |
| C16 | N01 | C11 | C09 | 164.3° | 174.4° |
| C16 | N01 | C11 | C12 | 15.9° | 5.7° |
| N01 | C16 | C17 | H16 | 120.0° | 120.0° |
| N01 | C16 | C17 | H16A | 120.0° | 120.0° |
| N01 | C16 | H16 | H16A | 120.0° | 120.0° |
| N01 | C16 | C17 | C18 | 53.2° | 90.0° |
| N01 | C16 | C17 | C20 | 125.7° | 89.9° |
| HN01 | N01 | C11 | C09 | 75.8° | 5.9° |
| HN01 | N01 | C11 | C12 | 104.1° | 174.0° |
| HN01 | N01 | C16 | C17 | 37.2° | 0.3° |
| HN01 | N01 | C16 | H16 | 82.8° | 120.3° |
| HN01 | N01 | C16 | H16A | 157.2° | 119.7° |
| C15 | N02 | HN02 | HN0A | 180.0° | 180.0° |
| N02 | C15 | C09 | C08 | 24.1° | 5.9° |
| N02 | C15 | C09 | C11 | 155.4° | 174.2° |
| N02 | C15 | C09 | O25 | 179.4° | 180.0° |
| HN02 | N02 | C15 | C09 | 179.4° | 0.0° |
| HN02 | N02 | C15 | O25 | 0.0° | 180.0° |
| HN0A | N02 | C15 | C09 | 0.6° | 179.9° |
| HN0A | N02 | C15 | O25 | 180.0° | 0.0° |
| C18 | N03 | C19 | N04 | 0.2° | 0.0° |
| C18 | N03 | C19 | N06 | 179.6° | 180.0° |
| N03 | C18 | C17 | C16 | 179.0° | 180.0° |
| N03 | C18 | C17 | H18 | 180.0° | 179.9° |
| N03 | C18 | C17 | C20 | 0.1° | 0.0° |
| N03 | C19 | N04 | N06 | 179.9° | 179.9° |
| N03 | C19 | N04 | C20 | 0.2° | 0.0° |
| N03 | C19 | N06 | HN06 | 0.0° | 0.1° |
| N03 | C19 | N06 | HN0B | 120.0° | 180.0° |
| C19 | N03 | C18 | C17 | 0.1° | 0.0° |
| C19 | N03 | C18 | H18 | 179.9° | 179.9° |
| N04 | C19 | N06 | HN06 | 179.9° | 180.0° |
| N04 | C19 | N06 | HN0B | 60.1° | 0.0° |
| C19 | N04 | C20 | C17 | 0.1° | 0.0° |
| C19 | N04 | C20 | H20 | 179.9° | 180.0° |
| C20 | N04 | C19 | N06 | 179.6° | 180.0° |
| N04 | C20 | C17 | C16 | 179.0° | 180.0° |
| N04 | C20 | C17 | C18 | 0.0° | 0.0° |
| N04 | C20 | C17 | H20 | 180.0° | 180.0° |
| C13 | N05 | C21 | C23 | 176.5° | 123.8° |
| N05 | C13 | C14 | N07 | 0.8° | 0.1° |
| N05 | C13 | C14 | C08 | 179.4° | 179.9° |
| N05 | C13 | C12 | C11 | 179.8° | 180.0° |
| N05 | C13 | C12 | C14 | 180.0° | 179.9° |
| N05 | C13 | C12 | H12 | 0.3° | 0.1° |
| C13 | N05 | C21 | C22 | 160.9° | 177.6° |
| C13 | N05 | C21 | H21 | 40.9° | 62.4° |
| C13 | N05 | C21 | H21A | 79.1° | 57.7° |
| C13 | N05 | C23 | C24 | 160.4° | 177.6° |
| C13 | N05 | C23 | H23 | 79.7° | 57.7° |
| C13 | N05 | C23 | H23A | 40.4° | 62.4° |
| C21 | N05 | C13 | C12 | 53.6° | 60.0° |
| C21 | N05 | C13 | C14 | 126.4° | 120.1° |
| N05 | C21 | C22 | H21 | 120.0° | 120.0° |
| N05 | C21 | C22 | H21A | 120.0° | 119.9° |
| N05 | C21 | H21 | H21A | 118.6° | 120.1° |
| N05 | C21 | C22 | O26 | 41.7° | 56.9° |
| N05 | C21 | C22 | H22 | 78.3° | 176.8° |
| N05 | C21 | C22 | H22A | 161.7° | 63.1° |
| C21 | N05 | C23 | C24 | 16.1° | 58.6° |
| C21 | N05 | C23 | H23 | 103.8° | 178.6° |
| C21 | N05 | C23 | H23A | 136.1° | 61.4° |
| C23 | N05 | C13 | C12 | 122.9° | 63.6° |
| C23 | N05 | C13 | C14 | 57.1° | 116.3° |
| C23 | N05 | C21 | C22 | 15.6° | 58.6° |
| C23 | N05 | C21 | H21 | 135.6° | 61.4° |
| C23 | N05 | C21 | H21A | 104.4° | 178.5° |
| N05 | C23 | C24 | H23 | 120.0° | 120.0° |
| N05 | C23 | C24 | H23A | 120.0° | 119.9° |
| N05 | C23 | H23 | H23A | 118.7° | 120.1° |
| N05 | C23 | C24 | O26 | 42.8° | 56.8° |
| N05 | C23 | C24 | H24 | 162.8° | 63.1° |
| N05 | C23 | C24 | H24A | 77.2° | 176.8° |
| C19 | N06 | HN06 | HN0B | 120.0° | 179.9° |
| C14 | N07 | O27 | O28 | 177.6° | 180.0° |
| N07 | C14 | C08 | C09 | 179.4° | 180.0° |
| N07 | C14 | C08 | C13 | 179.8° | 180.0° |
| N07 | C14 | C08 | H08 | 0.6° | 0.3° |
| N07 | C14 | C13 | C12 | 179.1° | 180.0° |
| O27 | N07 | C14 | C08 | 162.1° | 0.0° |
| O27 | N07 | C14 | C13 | 17.7° | 180.0° |
| O28 | N07 | C14 | C08 | 15.4° | 180.0° |
| O28 | N07 | C14 | C13 | 164.8° | 0.0° |
| C09 | C08 | C14 | H08 | 180.0° | 179.7° |
| C08 | C09 | C11 | C15 | 179.6° | 180.0° |
| C08 | C09 | C11 | C12 | 0.6° | 0.0° |
| C09 | C08 | C14 | C13 | 0.4° | 0.0° |
| C08 | C09 | C15 | O25 | 155.2° | 174.1° |
| C14 | C08 | C09 | C11 | 0.2° | 0.0° |
| C14 | C08 | C09 | C15 | 179.8° | 180.0° |
| C08 | C14 | C13 | C12 | 0.6° | 0.0° |
| H08 | C08 | C09 | C11 | 179.7° | 179.7° |
| H08 | C08 | C09 | C15 | 0.2° | 0.3° |
| H08 | C08 | C14 | C13 | 179.6° | 179.7° |
| C09 | C11 | C12 | C13 | 0.4° | 0.1° |
| C09 | C11 | C12 | H12 | 179.7° | 180.0° |
| C11 | C09 | C15 | O25 | 25.2° | 5.9° |
| C15 | C09 | C11 | C12 | 179.8° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| H12 | C12 | C13 | C14 | 179.7° | 180.0° |
| C17 | C16 | H16 | H16A | 120.0° | 119.9° |
| C16 | C17 | C18 | C20 | 179.0° | 179.9° |
| C16 | C17 | C18 | H18 | 1.0° | 0.1° |
| C16 | C17 | C20 | H20 | 1.0° | 0.0° |
| H16 | C16 | C17 | C18 | 66.8° | 30.1° |
| H16 | C16 | C17 | C20 | 114.3° | 150.0° |
| H16A | C16 | C17 | C18 | 173.2° | 150.0° |
| H16A | C16 | C17 | C20 | 5.7° | 30.1° |
| C18 | C17 | C20 | H20 | 180.0° | 180.0° |
| C20 | C17 | C18 | H18 | 180.0° | 180.0° |
| C22 | C21 | H21 | H21A | 118.6° | 120.1° |
| C21 | C22 | O26 | H22 | 120.0° | 119.9° |
| C21 | C22 | O26 | H22A | 120.0° | 119.9° |
| C21 | C22 | H22 | H22A | 120.6° | 120.1° |
| C21 | C22 | O26 | C24 | 74.4° | 58.7° |
| H21 | C21 | C22 | O26 | 161.7° | 63.1° |
| H21 | C21 | C22 | H22 | 41.7° | 56.8° |
| H21 | C21 | C22 | H22A | 78.3° | 177.0° |
| H21A | C21 | C22 | O26 | 78.3° | 176.8° |
| H21A | C21 | C22 | H22 | 161.7° | 63.3° |
| H21A | C21 | C22 | H22A | 41.7° | 56.9° |
| O26 | C22 | H22 | H22A | 120.6° | 120.2° |
| C22 | O26 | C24 | C23 | 74.9° | 58.7° |
| C22 | O26 | C24 | H24 | 165.0° | 61.2° |
| C22 | O26 | C24 | H24A | 45.1° | 178.7° |
| H22 | C22 | O26 | C24 | 45.6° | 178.6° |
| H22A | C22 | O26 | C24 | 165.6° | 61.2° |
| C24 | C23 | H23 | H23A | 118.6° | 120.1° |
| C23 | C24 | O26 | H24 | 120.0° | 119.9° |
| C23 | C24 | O26 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24A | 120.7° | 120.1° |
| H23 | C23 | C24 | O26 | 77.2° | 176.8° |
| H23 | C23 | C24 | H24 | 42.8° | 56.9° |
| H23 | C23 | C24 | H24A | 162.8° | 63.3° |
| H23A | C23 | C24 | O26 | 162.8° | 63.1° |
| H23A | C23 | C24 | H24 | 77.1° | 177.0° |
| H23A | C23 | C24 | H24A | 42.8° | 56.8° |
| O26 | C24 | H24 | H24A | 120.7° | 120.1° |
