IP7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.42Å | 1.39Å | |
| N1 | HN11 | sing | 1.00Å | 1.00Å | |
| N1 | HN12 | sing | 1.00Å | 1.00Å | |
| C2 | N3 | doub | 1.35Å | 1.33Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | N8 | sing | 1.39Å | 1.41Å | |
| N8 | C9 | sing | 1.44Å | 1.47Å | |
| N8 | HN8 | sing | 1.01Å | 1.00Å | |
| C9 | C10 | sing | 1.49Å | 1.52Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C12 | C24 | sing | 1.45Å | 1.48Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | O16 | sing | 1.36Å | 1.37Å | |
| O16 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.50Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C18 | N23 | doub | 1.35Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | N23 | sing | 1.35Å | 1.33Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.37Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | C27 | sing | 1.41Å | 1.41Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | C28 | sing | 1.42Å | 1.46Å | Aromatic |
| C27 | C31 | doub | 1.40Å | 1.43Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.35Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | N30 | sing | 1.37Å | 1.36Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| N30 | HN30 | sing | 1.01Å | 1.00Å | |
| C31 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 109.5° | 118.8° |
| C2 | N1 | HN12 | 109.5° | 118.8° |
| N1 | C2 | N3 | 119.6° | 117.7° |
| N1 | C2 | C7 | 120.1° | 117.6° |
| HN11 | N1 | HN12 | 109.4° | 122.1° |
| N3 | C2 | C7 | 120.3° | 124.7° |
| C2 | N3 | C4 | 122.4° | 116.4° |
| C2 | C7 | C6 | 117.9° | 116.5° |
| C2 | C7 | N8 | 120.8° | 123.0° |
| N3 | C4 | C5 | 120.7° | 124.0° |
| N3 | C4 | H4 | 119.7° | 115.2° |
| C5 | C4 | H4 | 119.6° | 120.8° |
| C4 | C5 | C6 | 119.0° | 117.9° |
| C4 | C5 | H5 | 120.5° | 121.1° |
| C6 | C5 | H5 | 120.5° | 121.0° |
| C5 | C6 | C7 | 119.7° | 120.5° |
| C5 | C6 | H6 | 120.2° | 119.5° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C6 | C7 | N8 | 121.3° | 120.6° |
| C7 | N8 | C9 | 120.8° | 123.8° |
| C7 | N8 | HN8 | 105.8° | 117.9° |
| C9 | N8 | HN8 | 105.9° | 118.3° |
| N8 | C9 | C10 | 113.7° | 112.3° |
| N8 | C9 | H91 | 108.1° | 107.6° |
| N8 | C9 | H92 | 107.2° | 107.4° |
| C10 | C9 | H91 | 108.1° | 111.1° |
| C10 | C9 | H92 | 107.1° | 111.4° |
| C9 | C10 | C11 | 118.7° | 119.3° |
| C9 | C10 | C15 | 121.7° | 120.7° |
| H91 | C9 | H92 | 112.8° | 106.8° |
| C11 | C10 | C15 | 119.6° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C10 | C11 | H11 | 119.9° | 119.7° |
| C10 | C15 | C14 | 120.2° | 120.0° |
| C10 | C15 | O16 | 120.9° | 120.8° |
| C12 | C11 | H11 | 119.9° | 120.3° |
| C11 | C12 | C24 | 119.3° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.1° |
| C24 | C12 | C13 | 120.2° | 119.9° |
| C12 | C24 | C32 | 117.3° | 119.4° |
| C12 | C24 | C25 | 121.1° | 119.6° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C12 | C13 | H13 | 120.2° | 121.0° |
| C14 | C13 | H13 | 120.2° | 119.0° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C13 | C14 | H14 | 120.1° | 119.7° |
| C15 | C14 | H14 | 120.0° | 120.3° |
| C14 | C15 | O16 | 118.9° | 119.2° |
| C15 | O16 | C17 | 108.8° | 117.0° |
| O16 | C17 | C18 | 109.1° | 109.1° |
| O16 | C17 | H171 | 109.6° | 109.1° |
| O16 | C17 | H172 | 109.7° | 109.1° |
| C18 | C17 | H171 | 109.6° | 111.0° |
| C18 | C17 | H172 | 109.7° | 110.7° |
| C17 | C18 | N23 | 119.6° | 116.3° |
| C17 | C18 | C19 | 119.7° | 119.0° |
| H171 | C17 | H172 | 109.2° | 107.8° |
| N23 | C18 | C19 | 120.7° | 124.7° |
| C18 | N23 | C22 | 121.6° | 116.1° |
| C18 | C19 | C20 | 119.8° | 117.6° |
| C18 | C19 | H19 | 120.1° | 121.9° |
| C20 | C19 | H19 | 120.1° | 120.5° |
| C19 | C20 | C21 | 116.9° | 119.8° |
| C19 | C20 | H20 | 121.6° | 120.1° |
| C21 | C20 | H20 | 121.6° | 120.1° |
| C20 | C21 | C22 | 120.9° | 117.9° |
| C20 | C21 | H21 | 119.6° | 121.0° |
| C22 | C21 | H21 | 119.6° | 121.1° |
| C21 | C22 | N23 | 120.2° | 124.1° |
| C21 | C22 | H22 | 119.9° | 120.7° |
| N23 | C22 | H22 | 119.9° | 115.2° |
| C32 | C24 | C25 | 121.4° | 121.0° |
| C24 | C32 | C31 | 119.9° | 117.6° |
| C24 | C32 | H32 | 120.0° | 121.7° |
| C24 | C25 | C26 | 119.7° | 120.8° |
| C24 | C25 | H25 | 120.1° | 120.6° |
| C26 | C25 | H25 | 120.2° | 118.6° |
| C25 | C26 | C27 | 119.9° | 119.2° |
| C25 | C26 | H26 | 120.1° | 120.1° |
| C27 | C26 | H26 | 120.1° | 120.8° |
| C26 | C27 | C28 | 134.4° | 134.2° |
| C26 | C27 | C31 | 120.8° | 118.7° |
| C28 | C27 | C31 | 104.8° | 107.1° |
| C27 | C28 | C29 | 108.1° | 107.7° |
| C27 | C28 | H28 | 125.9° | 126.8° |
| C27 | C31 | N30 | 107.5° | 107.1° |
| C27 | C31 | C32 | 118.3° | 122.7° |
| C29 | C28 | H28 | 126.0° | 125.4° |
| C28 | C29 | N30 | 110.5° | 107.9° |
| C28 | C29 | H29 | 124.7° | 131.5° |
| N30 | C29 | H29 | 124.7° | 120.6° |
| C29 | N30 | C31 | 109.0° | 110.2° |
| C29 | N30 | HN30 | 125.5° | 125.0° |
| C31 | N30 | HN30 | 125.5° | 124.9° |
| N30 | C31 | C32 | 134.1° | 130.2° |
| C31 | C32 | H32 | 120.1° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 120.0° | 173.4° |
| N1 | C2 | N3 | C7 | 179.9° | 180.0° |
| N1 | C2 | N3 | C4 | 179.4° | 180.0° |
| N1 | C2 | C7 | C6 | 179.3° | 180.0° |
| N1 | C2 | C7 | N8 | 1.1° | 0.1° |
| HN11 | N1 | C2 | N3 | 154.1° | 109.9° |
| HN11 | N1 | C2 | C7 | 25.8° | 70.1° |
| HN12 | N1 | C2 | N3 | 85.9° | 63.7° |
| HN12 | N1 | C2 | C7 | 94.2° | 116.4° |
| C2 | N3 | C4 | C5 | 0.4° | 0.0° |
| C2 | N3 | C4 | H4 | 179.6° | 180.0° |
| N3 | C2 | C7 | C6 | 0.9° | 0.0° |
| N3 | C2 | C7 | N8 | 179.0° | 179.9° |
| C7 | C2 | N3 | C4 | 0.7° | 0.0° |
| C2 | C7 | C6 | C5 | 0.8° | 0.0° |
| C2 | C7 | C6 | N8 | 178.1° | 179.9° |
| C2 | C7 | C6 | H6 | 179.2° | 180.0° |
| C2 | C7 | N8 | C9 | 168.4° | 180.0° |
| C2 | C7 | N8 | HN8 | 48.4° | 0.1° |
| N3 | C4 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.4° | 0.0° |
| N3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| H4 | C4 | C5 | C6 | 179.7° | 180.0° |
| H4 | C4 | C5 | H5 | 0.3° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | N8 | 178.9° | 179.9° |
| H5 | C5 | C6 | C7 | 179.5° | 180.0° |
| H5 | C5 | C6 | H6 | 0.5° | 0.0° |
| C6 | C7 | N8 | C9 | 9.7° | 0.1° |
| C6 | C7 | N8 | HN8 | 129.7° | 180.0° |
| H6 | C6 | C7 | N8 | 1.1° | 0.1° |
| C7 | N8 | C9 | HN8 | 120.0° | 180.0° |
| C7 | N8 | C9 | C10 | 72.9° | 177.6° |
| C7 | N8 | C9 | H91 | 167.1° | 59.9° |
| C7 | N8 | C9 | H92 | 45.3° | 54.8° |
| N8 | C9 | C10 | H91 | 120.0° | 120.6° |
| N8 | C9 | C10 | H92 | 118.2° | 120.5° |
| N8 | C9 | H91 | H92 | 118.3° | 115.0° |
| N8 | C9 | C10 | C11 | 47.0° | 90.0° |
| N8 | C9 | C10 | C15 | 133.1° | 90.0° |
| HN8 | N8 | C9 | C10 | 47.1° | 2.5° |
| HN8 | N8 | C9 | H91 | 72.9° | 120.1° |
| HN8 | N8 | C9 | H92 | 165.2° | 125.3° |
| C10 | C9 | H91 | H92 | 118.3° | 121.7° |
| C9 | C10 | C11 | C15 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 179.0° | 179.9° |
| C9 | C10 | C11 | H11 | 1.0° | 0.0° |
| C9 | C10 | C15 | C14 | 179.4° | 180.0° |
| C9 | C10 | C15 | O16 | 0.5° | 0.0° |
| H91 | C9 | C10 | C11 | 73.0° | 30.5° |
| H91 | C9 | C10 | C15 | 106.9° | 149.5° |
| H92 | C9 | C10 | C11 | 165.2° | 149.5° |
| H92 | C9 | C10 | C15 | 15.0° | 30.5° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C24 | 178.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.1° |
| C11 | C10 | C15 | C14 | 0.4° | 0.0° |
| C11 | C10 | C15 | O16 | 179.7° | 180.0° |
| C15 | C10 | C11 | C12 | 0.8° | 0.1° |
| C15 | C10 | C11 | H11 | 179.2° | 180.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C10 | C15 | C14 | O16 | 179.9° | 179.9° |
| C10 | C15 | C14 | H14 | 179.9° | 179.9° |
| C10 | C15 | O16 | C17 | 95.2° | 150.0° |
| C11 | C12 | C24 | C13 | 177.8° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C11 | C12 | C13 | H13 | 179.8° | 179.9° |
| C11 | C12 | C24 | C32 | 39.5° | 29.9° |
| C11 | C12 | C24 | C25 | 144.6° | 150.0° |
| H11 | C11 | C12 | C24 | 1.4° | 0.1° |
| H11 | C11 | C12 | C13 | 179.2° | 180.0° |
| C24 | C12 | C13 | C14 | 178.0° | 180.0° |
| C24 | C12 | C13 | H13 | 2.0° | 0.0° |
| C12 | C24 | C32 | C25 | 175.9° | 179.9° |
| C12 | C24 | C25 | C26 | 177.8° | 179.9° |
| C12 | C24 | C25 | H25 | 2.2° | 0.0° |
| C12 | C24 | C32 | C31 | 178.5° | 179.9° |
| C12 | C24 | C32 | H32 | 1.5° | 0.2° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C12 | C24 | C32 | 138.3° | 150.0° |
| C13 | C12 | C24 | C25 | 37.6° | 30.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | O16 | 179.8° | 180.0° |
| H13 | C13 | C14 | C15 | 179.8° | 179.9° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
| C14 | C15 | O16 | C17 | 84.7° | 30.1° |
| H14 | C14 | C15 | O16 | 0.2° | 0.1° |
| C15 | O16 | C17 | C18 | 98.1° | 151.3° |
| C15 | O16 | C17 | H171 | 21.9° | 29.9° |
| C15 | O16 | C17 | H172 | 141.8° | 87.7° |
| O16 | C17 | C18 | H171 | 120.0° | 120.2° |
| O16 | C17 | C18 | H172 | 120.2° | 120.1° |
| O16 | C17 | H171 | H172 | 120.2° | 118.4° |
| O16 | C17 | C18 | N23 | 106.2° | 89.9° |
| O16 | C17 | C18 | C19 | 73.4° | 90.0° |
| C18 | C17 | H171 | H172 | 120.1° | 121.4° |
| C17 | C18 | N23 | C19 | 179.5° | 179.9° |
| C17 | C18 | C19 | C20 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 0.0° | 0.1° |
| C17 | C18 | N23 | C22 | 179.2° | 180.0° |
| H171 | C17 | C18 | N23 | 13.8° | 149.9° |
| H171 | C17 | C18 | C19 | 166.6° | 30.2° |
| H172 | C17 | C18 | N23 | 133.7° | 30.2° |
| H172 | C17 | C18 | C19 | 46.8° | 149.9° |
| N23 | C18 | C19 | C20 | 0.5° | 0.0° |
| N23 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | N23 | C22 | C21 | 0.9° | 0.0° |
| C18 | N23 | C22 | H22 | 179.1° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C18 | C19 | C20 | H20 | 179.3° | 179.9° |
| C19 | C18 | N23 | C22 | 1.3° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.1° | 0.0° |
| C19 | C20 | C21 | H21 | 178.9° | 180.0° |
| H19 | C19 | C20 | C21 | 179.3° | 180.0° |
| H19 | C19 | C20 | H20 | 0.7° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | N23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| H20 | C20 | C21 | C22 | 178.9° | 180.0° |
| H20 | C20 | C21 | H21 | 1.1° | 0.0° |
| C21 | C22 | N23 | H22 | 180.0° | 180.0° |
| H21 | C21 | C22 | N23 | 179.7° | 180.0° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
| C32 | C24 | C25 | C26 | 2.1° | 0.1° |
| C32 | C24 | C25 | H25 | 177.9° | 179.9° |
| C24 | C32 | C31 | C27 | 1.1° | 0.0° |
| C24 | C32 | C31 | N30 | 178.1° | 180.0° |
| C24 | C32 | C31 | H32 | 180.0° | 179.9° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.0° |
| C24 | C25 | C26 | H26 | 179.8° | 180.0° |
| C25 | C24 | C32 | C31 | 2.6° | 0.1° |
| C25 | C24 | C32 | H32 | 177.4° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 179.8° | 180.0° |
| C25 | C26 | C27 | C31 | 1.3° | 0.0° |
| H25 | C25 | C26 | C27 | 179.9° | 179.9° |
| H25 | C25 | C26 | H26 | 0.2° | 0.0° |
| C26 | C27 | C28 | C31 | 179.1° | 180.0° |
| C26 | C27 | C28 | C29 | 179.2° | 180.0° |
| C26 | C27 | C28 | H28 | 0.8° | 0.1° |
| C26 | C27 | C31 | N30 | 179.8° | 179.9° |
| C26 | C27 | C31 | C32 | 0.8° | 0.0° |
| H26 | C26 | C27 | C28 | 0.2° | 0.0° |
| H26 | C26 | C27 | C31 | 178.7° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | N30 | 0.4° | 0.0° |
| C27 | C28 | C29 | H29 | 179.6° | 179.9° |
| C28 | C27 | C31 | N30 | 0.6° | 0.0° |
| C28 | C27 | C31 | C32 | 180.0° | 180.0° |
| C31 | C27 | C28 | C29 | 0.1° | 0.0° |
| C31 | C27 | C28 | H28 | 179.9° | 179.9° |
| C27 | C31 | N30 | C29 | 0.8° | 0.0° |
| C27 | C31 | N30 | C32 | 179.2° | 180.0° |
| C27 | C31 | N30 | HN30 | 179.1° | 179.9° |
| C27 | C31 | C32 | H32 | 178.9° | 179.9° |
| C28 | C29 | N30 | H29 | 180.0° | 179.9° |
| C28 | C29 | N30 | C31 | 0.8° | 0.0° |
| C28 | C29 | N30 | HN30 | 179.2° | 179.9° |
| H28 | C28 | C29 | N30 | 179.6° | 179.9° |
| H28 | C28 | C29 | H29 | 0.4° | 0.0° |
| C29 | N30 | C31 | HN30 | 180.0° | 179.9° |
| C29 | N30 | C31 | C32 | 179.9° | 180.0° |
| H29 | C29 | N30 | C31 | 179.2° | 179.9° |
| H29 | C29 | N30 | HN30 | 0.8° | 0.0° |
| N30 | C31 | C32 | H32 | 2.0° | 0.1° |
| HN30 | N30 | C31 | C32 | 0.1° | 0.1° |
