IZ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.47Å | 1.36Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.54Å | |
| C3 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | O8 | sing | 1.35Å | 1.35Å | Aromatic |
| C4 | C23 | sing | 1.51Å | 1.48Å | |
| C4 | N9 | doub | 1.30Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | O11 | sing | 1.36Å | 1.38Å | |
| C6 | C12 | sing | 1.51Å | 1.52Å | |
| C7 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C13 | sing | 1.51Å | 1.55Å | |
| O8 | N9 | sing | 1.41Å | 1.36Å | Aromatic |
| C10 | C15 | sing | 1.51Å | 1.52Å | |
| O11 | C16 | sing | 1.43Å | 1.43Å | |
| C12 | C17 | doub | 1.31Å | 1.38Å | |
| C17 | C18 | sing | 1.51Å | 1.47Å | |
| C17 | C19 | sing | 1.51Å | 1.48Å | |
| C18 | C20 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | sing | 1.51Å | 1.60Å | |
| C21 | O22 | doub | 1.21Å | 1.24Å | |
| C21 | O23 | sing | 1.34Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 118.8° | 120.0° |
| C2 | C1 | C4 | 132.9° | 133.6° |
| C1 | C2 | C5 | 119.3° | 119.7° |
| C1 | C2 | C6 | 120.8° | 120.2° |
| C3 | C1 | C4 | 108.3° | 106.4° |
| C1 | C3 | C7 | 120.0° | 119.6° |
| C1 | C3 | O8 | 106.9° | 107.1° |
| C1 | C4 | C23 | 130.2° | 126.3° |
| C1 | C4 | N9 | 107.5° | 107.4° |
| C5 | C2 | C6 | 119.9° | 120.1° |
| C2 | C5 | C10 | 123.0° | 120.2° |
| C2 | C5 | O11 | 120.3° | 119.9° |
| C2 | C6 | C12 | 109.9° | 109.5° |
| C2 | C6 | H20 | 109.4° | 109.5° |
| C2 | C6 | H21 | 109.4° | 109.4° |
| C7 | C3 | O8 | 133.1° | 133.3° |
| C3 | C7 | C10 | 120.4° | 120.0° |
| C3 | C7 | C13 | 121.2° | 120.0° |
| C3 | O8 | N9 | 109.5° | 109.3° |
| C23 | C4 | N9 | 122.2° | 126.3° |
| C4 | C23 | H17 | 109.5° | 109.5° |
| C4 | C23 | H18 | 109.4° | 109.5° |
| C4 | C23 | H19 | 109.5° | 109.5° |
| C4 | N9 | O8 | 107.8° | 109.8° |
| C10 | C5 | O11 | 116.7° | 119.9° |
| C5 | C10 | C7 | 118.5° | 120.6° |
| C5 | C10 | C15 | 121.4° | 119.7° |
| C5 | O11 | C16 | 116.0° | 117.0° |
| C6 | C12 | C17 | 116.5° | 120.0° |
| C12 | C6 | H20 | 109.4° | 109.5° |
| C12 | C6 | H21 | 109.4° | 109.5° |
| C6 | C12 | H22 | 121.7° | 120.0° |
| C10 | C7 | C13 | 118.4° | 120.0° |
| C7 | C10 | C15 | 120.1° | 119.7° |
| C7 | C13 | H1 | 109.5° | 109.5° |
| C7 | C13 | H2 | 109.5° | 109.5° |
| C7 | C13 | H3 | 109.4° | 109.4° |
| C10 | C15 | H4 | 109.5° | 109.4° |
| C10 | C15 | H5 | 109.5° | 109.5° |
| C10 | C15 | H6 | 109.5° | 109.4° |
| O11 | C16 | H7 | 109.5° | 109.5° |
| O11 | C16 | H8 | 109.5° | 109.4° |
| O11 | C16 | H9 | 109.5° | 109.5° |
| C12 | C17 | C18 | 120.6° | 120.0° |
| C12 | C17 | C19 | 123.3° | 120.0° |
| C17 | C12 | H22 | 121.7° | 120.0° |
| C18 | C17 | C19 | 114.3° | 120.0° |
| C17 | C18 | C20 | 111.1° | 109.5° |
| C17 | C18 | H10 | 109.1° | 109.5° |
| C17 | C18 | H11 | 109.1° | 109.5° |
| C17 | C19 | H12 | 109.5° | 109.5° |
| C17 | C19 | H13 | 109.5° | 109.4° |
| C17 | C19 | H14 | 109.5° | 109.5° |
| C18 | C20 | C21 | 112.4° | 109.5° |
| C20 | C18 | H10 | 109.0° | 109.5° |
| C20 | C18 | H11 | 109.1° | 109.5° |
| C18 | C20 | H15 | 108.7° | 109.5° |
| C18 | C20 | H16 | 108.7° | 109.5° |
| C20 | C21 | O22 | 121.3° | 120.0° |
| C20 | C21 | O23 | 123.4° | 120.0° |
| C21 | C20 | H15 | 108.8° | 109.4° |
| C21 | C20 | H16 | 108.8° | 109.5° |
| O22 | C21 | O23 | 115.3° | 120.0° |
| C21 | O23 | H23 | 109.5° | 117.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.4° | 109.5° |
| H7 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H12 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H17 | C23 | H19 | 109.4° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C6 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 178.3° | 180.0° |
| C1 | C2 | C5 | C6 | 179.5° | 179.7° |
| C2 | C1 | C3 | C7 | 1.3° | 0.2° |
| C2 | C1 | C3 | O8 | 178.5° | 180.0° |
| C2 | C1 | C4 | C23 | 0.4° | 0.1° |
| C2 | C1 | C4 | N9 | 177.5° | 180.0° |
| C1 | C2 | C5 | C10 | 0.2° | 0.0° |
| C1 | C2 | C5 | O11 | 178.8° | 180.0° |
| C1 | C2 | C6 | C12 | 94.0° | 89.9° |
| C1 | C2 | C6 | H20 | 26.1° | 150.0° |
| C1 | C2 | C6 | H21 | 145.9° | 30.0° |
| C3 | C1 | C2 | C5 | 0.8° | 0.2° |
| C3 | C1 | C2 | C6 | 179.8° | 180.0° |
| C1 | C3 | C7 | O8 | 179.8° | 179.7° |
| C3 | C1 | C4 | C23 | 178.4° | 179.9° |
| C3 | C1 | C4 | N9 | 0.5° | 0.0° |
| C1 | C3 | C7 | C10 | 0.9° | 0.1° |
| C1 | C3 | C7 | C13 | 178.3° | 179.9° |
| C1 | C3 | O8 | N9 | 0.9° | 0.0° |
| C4 | C1 | C2 | C5 | 178.5° | 179.8° |
| C4 | C1 | C2 | C6 | 2.0° | 0.0° |
| C4 | C1 | C3 | C7 | 179.6° | 179.8° |
| C4 | C1 | C3 | O8 | 0.3° | 0.0° |
| C1 | C4 | C23 | N9 | 177.6° | 179.9° |
| C1 | C4 | N9 | O8 | 1.1° | 0.0° |
| C1 | C4 | C23 | H17 | 177.6° | 90.1° |
| C1 | C4 | C23 | H18 | 57.6° | 150.0° |
| C1 | C4 | C23 | H19 | 62.4° | 30.0° |
| C2 | C5 | C10 | O11 | 178.6° | 180.0° |
| C5 | C2 | C6 | C12 | 85.5° | 89.8° |
| C2 | C5 | C10 | C7 | 0.6° | 0.3° |
| C2 | C5 | C10 | C15 | 177.8° | 180.0° |
| C2 | C5 | O11 | C16 | 95.4° | 90.0° |
| C5 | C2 | C6 | H20 | 154.5° | 30.2° |
| C5 | C2 | C6 | H21 | 34.6° | 150.2° |
| C6 | C2 | C5 | C10 | 179.2° | 179.8° |
| C6 | C2 | C5 | O11 | 0.7° | 0.2° |
| C2 | C6 | C12 | H20 | 120.1° | 120.0° |
| C2 | C6 | C12 | H21 | 120.1° | 120.0° |
| C2 | C6 | C12 | C17 | 132.4° | 127.0° |
| C2 | C6 | H20 | H21 | 119.8° | 120.0° |
| C2 | C6 | C12 | H22 | 47.5° | 53.0° |
| C3 | C7 | C10 | C5 | 0.0° | 0.3° |
| C3 | C7 | C10 | C13 | 179.3° | 180.0° |
| C7 | C3 | O8 | N9 | 178.9° | 179.7° |
| C3 | C7 | C10 | C15 | 178.3° | 180.0° |
| C3 | C7 | C13 | H1 | 89.6° | 90.0° |
| C3 | C7 | C13 | H2 | 150.4° | 150.0° |
| C3 | C7 | C13 | H3 | 30.4° | 30.0° |
| C3 | O8 | N9 | C4 | 1.2° | 0.0° |
| O8 | C3 | C7 | C10 | 178.9° | 179.7° |
| O8 | C3 | C7 | C13 | 1.9° | 0.3° |
| C23 | C4 | N9 | O8 | 179.1° | 179.9° |
| C4 | C23 | H17 | H18 | 120.0° | 120.0° |
| C4 | C23 | H17 | H19 | 120.0° | 120.0° |
| C4 | C23 | H18 | H19 | 120.0° | 120.1° |
| N9 | C4 | C23 | H17 | 0.0° | 90.0° |
| N9 | C4 | C23 | H18 | 120.0° | 29.9° |
| N9 | C4 | C23 | H19 | 120.0° | 149.9° |
| C5 | C10 | C7 | C15 | 178.4° | 179.7° |
| C5 | C10 | C7 | C13 | 179.3° | 179.7° |
| C10 | C5 | O11 | C16 | 83.3° | 90.0° |
| C5 | C10 | C15 | H4 | 90.8° | 90.0° |
| C5 | C10 | C15 | H5 | 149.1° | 150.0° |
| C5 | C10 | C15 | H6 | 29.1° | 29.9° |
| O11 | C5 | C10 | C7 | 179.2° | 179.8° |
| O11 | C5 | C10 | C15 | 0.8° | 0.1° |
| C5 | O11 | C16 | H7 | 180.0° | 59.9° |
| C5 | O11 | C16 | H8 | 60.0° | 60.0° |
| C5 | O11 | C16 | H9 | 60.0° | 180.0° |
| C6 | C12 | C17 | H22 | 180.0° | 179.9° |
| C6 | C12 | C17 | C18 | 170.0° | 174.3° |
| C6 | C12 | C17 | C19 | 6.2° | 5.7° |
| C12 | C6 | H20 | H21 | 119.8° | 120.0° |
| C10 | C7 | C13 | H1 | 89.7° | 90.0° |
| C10 | C7 | C13 | H2 | 30.3° | 30.0° |
| C10 | C7 | C13 | H3 | 150.3° | 150.0° |
| C7 | C10 | C15 | H4 | 90.8° | 90.3° |
| C7 | C10 | C15 | H5 | 29.2° | 29.7° |
| C7 | C10 | C15 | H6 | 149.2° | 149.8° |
| C13 | C7 | C10 | C15 | 0.9° | 0.0° |
| C7 | C13 | H1 | H2 | 120.0° | 120.0° |
| C7 | C13 | H1 | H3 | 120.0° | 119.9° |
| C7 | C13 | H2 | H3 | 120.0° | 120.0° |
| C10 | C15 | H4 | H5 | 120.0° | 120.0° |
| C10 | C15 | H4 | H6 | 120.0° | 119.9° |
| C10 | C15 | H5 | H6 | 120.0° | 120.0° |
| O11 | C16 | H7 | H8 | 120.0° | 119.9° |
| O11 | C16 | H7 | H9 | 120.0° | 120.0° |
| O11 | C16 | H8 | H9 | 120.0° | 120.0° |
| C12 | C17 | C18 | C19 | 165.1° | 180.0° |
| C12 | C17 | C18 | C20 | 9.1° | 95.0° |
| C12 | C17 | C18 | H10 | 111.1° | 145.0° |
| C12 | C17 | C18 | H11 | 129.4° | 25.0° |
| C12 | C17 | C19 | H12 | 180.0° | 175.0° |
| C12 | C17 | C19 | H13 | 60.0° | 65.0° |
| C12 | C17 | C19 | H14 | 60.0° | 54.9° |
| C17 | C12 | C6 | H20 | 107.5° | 7.0° |
| C17 | C12 | C6 | H21 | 12.3° | 113.0° |
| C17 | C18 | C20 | H10 | 120.3° | 120.0° |
| C17 | C18 | C20 | H11 | 120.3° | 120.0° |
| C17 | C18 | C20 | C21 | 78.9° | 180.0° |
| C17 | C18 | H10 | H11 | 119.2° | 120.0° |
| C18 | C17 | C19 | H12 | 15.3° | 5.0° |
| C18 | C17 | C19 | H13 | 104.7° | 115.0° |
| C18 | C17 | C19 | H14 | 135.3° | 125.0° |
| C17 | C18 | C20 | H15 | 160.6° | 60.0° |
| C17 | C18 | C20 | H16 | 41.5° | 60.0° |
| C18 | C17 | C12 | H22 | 10.0° | 5.6° |
| C19 | C17 | C18 | C20 | 174.2° | 85.0° |
| C19 | C17 | C18 | H10 | 54.0° | 35.0° |
| C19 | C17 | C18 | H11 | 65.5° | 155.0° |
| C17 | C19 | H12 | H13 | 120.0° | 119.9° |
| C17 | C19 | H12 | H14 | 120.0° | 120.0° |
| C17 | C19 | H13 | H14 | 120.0° | 119.9° |
| C19 | C17 | C12 | H22 | 173.8° | 174.3° |
| C18 | C20 | C21 | H15 | 120.4° | 120.0° |
| C18 | C20 | C21 | H16 | 120.4° | 120.1° |
| C18 | C20 | C21 | O22 | 168.0° | 0.1° |
| C18 | C20 | C21 | O23 | 12.3° | 180.0° |
| C20 | C18 | H10 | H11 | 119.3° | 120.0° |
| C18 | C20 | H15 | H16 | 118.6° | 120.0° |
| C20 | C21 | O22 | O23 | 179.8° | 179.9° |
| C21 | C20 | C18 | H10 | 41.3° | 60.0° |
| C21 | C20 | C18 | H11 | 160.8° | 60.0° |
| C21 | C20 | H15 | H16 | 118.7° | 120.0° |
| C20 | C21 | O23 | H23 | 179.8° | 179.9° |
| O22 | C21 | C20 | H15 | 71.6° | 120.1° |
| O22 | C21 | C20 | H16 | 47.5° | 120.0° |
| O22 | C21 | O23 | H23 | 0.0° | 0.0° |
| O23 | C21 | C20 | H15 | 108.1° | 60.0° |
| O23 | C21 | C20 | H16 | 132.7° | 59.9° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H4 | C15 | H5 | H6 | 120.0° | 120.0° |
| H7 | C16 | H8 | H9 | 120.0° | 120.0° |
| H10 | C18 | C20 | H15 | 79.1° | 180.0° |
| H10 | C18 | C20 | H16 | 161.8° | 60.0° |
| H11 | C18 | C20 | H15 | 40.4° | 60.0° |
| H11 | C18 | C20 | H16 | 78.7° | 180.0° |
| H12 | C19 | H13 | H14 | 120.0° | 120.1° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
| H20 | C6 | C12 | H22 | 72.5° | 173.0° |
| H21 | C6 | C12 | H22 | 167.6° | 67.0° |
