A1I7H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C26 | C24 | sing | 1.51Å | 1.52Å | |
| C29 | O30 | doub | 1.21Å | 1.20Å | |
| C29 | C23 | sing | 1.52Å | 1.56Å | |
| C24 | C23 | sing | 1.52Å | 1.57Å | |
| C24 | O25 | doub | 1.21Å | 1.20Å | |
| C23 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | O22 | doub | 1.21Å | 1.19Å | |
| C21 | C18 | sing | 1.47Å | 1.49Å | |
| CL16 | C12 | sing | 1.74Å | 1.78Å | |
| N17 | C18 | doub | 1.32Å | 1.42Å | |
| N17 | C11 | sing | 1.34Å | 1.46Å | |
| C18 | C19 | sing | 1.47Å | 1.48Å | |
| C12 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | O20 | doub | 1.22Å | 1.19Å | |
| C19 | N09 | sing | 1.35Å | 1.43Å | |
| C13 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | N09 | sing | 1.38Å | 1.49Å | |
| C10 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| N09 | C06 | sing | 1.40Å | 1.44Å | |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 112.9° | 109.6° |
| C27 | C28 | C29 | 111.9° | 109.0° |
| C28 | C27 | H14 | 108.6° | 109.5° |
| C28 | C27 | H15 | 108.6° | 109.4° |
| C27 | C28 | H16 | 108.8° | 109.5° |
| C27 | C28 | H17 | 108.8° | 109.5° |
| C27 | C26 | C24 | 112.7° | 109.0° |
| C27 | C26 | H12 | 108.6° | 109.5° |
| C27 | C26 | H13 | 108.7° | 109.6° |
| C26 | C27 | H14 | 108.6° | 109.5° |
| C26 | C27 | H15 | 108.6° | 109.4° |
| C28 | C29 | O30 | 123.4° | 121.0° |
| C28 | C29 | C23 | 112.3° | 118.0° |
| C29 | C28 | H16 | 108.9° | 109.5° |
| C29 | C28 | H17 | 108.9° | 109.6° |
| C26 | C24 | C23 | 110.9° | 118.1° |
| C26 | C24 | O25 | 122.7° | 120.9° |
| C24 | C26 | H12 | 108.7° | 109.6° |
| C24 | C26 | H13 | 108.7° | 109.5° |
| O30 | C29 | C23 | 123.8° | 121.0° |
| C29 | C23 | C24 | 121.8° | 107.5° |
| C29 | C23 | C21 | 110.7° | 109.9° |
| C29 | C23 | H11 | 102.2° | 109.8° |
| C23 | C24 | O25 | 126.3° | 121.0° |
| C24 | C23 | C21 | 114.2° | 109.9° |
| C24 | C23 | H11 | 102.2° | 109.9° |
| C23 | C21 | O22 | 122.9° | 120.0° |
| C23 | C21 | C18 | 120.8° | 120.0° |
| C21 | C23 | H11 | 102.5° | 109.9° |
| O22 | C21 | C18 | 116.1° | 120.0° |
| C21 | C18 | N17 | 115.7° | 120.0° |
| C21 | C18 | C19 | 121.7° | 120.0° |
| CL16 | C12 | C11 | 116.5° | 120.0° |
| CL16 | C12 | C13 | 124.0° | 120.1° |
| C18 | N17 | C11 | 118.7° | 121.0° |
| N17 | C18 | C19 | 122.6° | 120.0° |
| N17 | C11 | C12 | 117.7° | 120.1° |
| N17 | C11 | C10 | 120.9° | 120.7° |
| C18 | C19 | O20 | 120.3° | 120.4° |
| C18 | C19 | N09 | 117.4° | 119.1° |
| C11 | C12 | C13 | 119.5° | 119.9° |
| C12 | C11 | C10 | 121.4° | 119.2° |
| C12 | C13 | C14 | 119.8° | 120.7° |
| C12 | C13 | H1 | 120.1° | 119.7° |
| C11 | C10 | N09 | 119.6° | 120.1° |
| C11 | C10 | C15 | 119.5° | 119.6° |
| O20 | C19 | N09 | 122.2° | 120.5° |
| C19 | N09 | C10 | 120.7° | 119.0° |
| C19 | N09 | C06 | 117.1° | 120.5° |
| C13 | C14 | C15 | 121.0° | 120.6° |
| C14 | C13 | H1 | 120.1° | 119.6° |
| C13 | C14 | H2 | 119.5° | 119.7° |
| N09 | C10 | C15 | 120.8° | 120.3° |
| C10 | N09 | C06 | 122.2° | 120.4° |
| C10 | C15 | C14 | 118.9° | 119.9° |
| C10 | C15 | H3 | 120.6° | 120.1° |
| N09 | C06 | C07 | 120.6° | 120.0° |
| N09 | C06 | C05 | 117.9° | 120.0° |
| C06 | C07 | C08 | 119.4° | 120.0° |
| C07 | C06 | C05 | 121.2° | 120.0° |
| C06 | C07 | H9 | 120.3° | 120.0° |
| C07 | C08 | C03 | 120.1° | 120.0° |
| C08 | C07 | H9 | 120.3° | 120.0° |
| C07 | C08 | H10 | 120.0° | 120.0° |
| C15 | C14 | H2 | 119.5° | 119.7° |
| C14 | C15 | H3 | 120.5° | 120.0° |
| C06 | C05 | C04 | 118.5° | 119.9° |
| C06 | C05 | H8 | 120.8° | 120.1° |
| C08 | C03 | C04 | 120.5° | 120.1° |
| C08 | C03 | O02 | 119.9° | 120.0° |
| C03 | C08 | H10 | 120.0° | 120.0° |
| C05 | C04 | C03 | 120.2° | 120.0° |
| C05 | C04 | H7 | 119.9° | 120.0° |
| C04 | C05 | H8 | 120.8° | 120.0° |
| C04 | C03 | O02 | 119.6° | 120.0° |
| C03 | C04 | H7 | 119.9° | 120.0° |
| C03 | O02 | C01 | 113.7° | 117.0° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O02 | C01 | H6 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H12 | C26 | H13 | 109.4° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.4° |
| H16 | C28 | H17 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H14 | 120.5° | 120.1° |
| C28 | C27 | C26 | H15 | 120.5° | 120.0° |
| C27 | C28 | C29 | H16 | 120.4° | 119.8° |
| C27 | C28 | C29 | H17 | 120.4° | 119.9° |
| C28 | C27 | C26 | C24 | 62.5° | 58.3° |
| C27 | C28 | C29 | O30 | 157.7° | 125.3° |
| C27 | C28 | C29 | C23 | 14.5° | 54.8° |
| C28 | C27 | C26 | H12 | 58.0° | 178.2° |
| C28 | C27 | C26 | H13 | 177.0° | 61.6° |
| C28 | C27 | H14 | H15 | 118.4° | 119.9° |
| C27 | C28 | H16 | H17 | 118.9° | 120.2° |
| C26 | C27 | C28 | C29 | 60.9° | 58.3° |
| C27 | C26 | C24 | H12 | 120.5° | 119.9° |
| C27 | C26 | C24 | H13 | 120.5° | 120.0° |
| C27 | C26 | C24 | C23 | 16.8° | 54.8° |
| C27 | C26 | C24 | O25 | 159.3° | 125.2° |
| C27 | C26 | H12 | H13 | 118.5° | 120.3° |
| C26 | C27 | H14 | H15 | 118.5° | 119.9° |
| C26 | C27 | C28 | H16 | 178.7° | 178.2° |
| C26 | C27 | C28 | H17 | 59.5° | 61.6° |
| C28 | C29 | O30 | C23 | 171.2° | 179.9° |
| C28 | C29 | C23 | C24 | 29.5° | 46.5° |
| C28 | C29 | C23 | C21 | 168.1° | 73.1° |
| C28 | C29 | C23 | H11 | 83.4° | 166.0° |
| C29 | C28 | C27 | H14 | 178.6° | 61.7° |
| C29 | C28 | C27 | H15 | 59.6° | 178.3° |
| C29 | C28 | H16 | H17 | 118.9° | 120.3° |
| C26 | C24 | C23 | C29 | 28.1° | 46.5° |
| C26 | C24 | C23 | O25 | 176.0° | 180.0° |
| C26 | C24 | C23 | C21 | 165.4° | 73.1° |
| C26 | C24 | C23 | H11 | 84.7° | 166.0° |
| C24 | C26 | H12 | H13 | 118.5° | 120.2° |
| C24 | C26 | C27 | H14 | 176.9° | 61.8° |
| C24 | C26 | C27 | H15 | 58.0° | 178.3° |
| O30 | C29 | C23 | C24 | 158.4° | 133.6° |
| O30 | C29 | C23 | C21 | 19.8° | 106.9° |
| O30 | C29 | C23 | H11 | 88.7° | 14.1° |
| O30 | C29 | C28 | H16 | 37.3° | 5.4° |
| O30 | C29 | C28 | H17 | 82.0° | 114.9° |
| C29 | C23 | C24 | C21 | 137.3° | 119.6° |
| C29 | C23 | C24 | H11 | 112.9° | 119.4° |
| C29 | C23 | C24 | O25 | 155.9° | 133.5° |
| C29 | C23 | C21 | H11 | 108.4° | 120.9° |
| C29 | C23 | C21 | O22 | 19.0° | 94.0° |
| C29 | C23 | C21 | C18 | 167.7° | 86.0° |
| C23 | C29 | C28 | H16 | 134.8° | 174.6° |
| C23 | C29 | C28 | H17 | 105.9° | 65.1° |
| C24 | C23 | C21 | H11 | 109.6° | 121.0° |
| C24 | C23 | C21 | O22 | 160.9° | 24.1° |
| C24 | C23 | C21 | C18 | 25.7° | 156.0° |
| C23 | C24 | C26 | H12 | 103.7° | 174.7° |
| C23 | C24 | C26 | H13 | 137.3° | 65.2° |
| O25 | C24 | C23 | C21 | 18.6° | 106.9° |
| O25 | C24 | C23 | H11 | 91.2° | 14.0° |
| O25 | C24 | C26 | H12 | 80.2° | 5.3° |
| O25 | C24 | C26 | H13 | 38.8° | 114.8° |
| C23 | C21 | O22 | C18 | 173.7° | 180.0° |
| C23 | C21 | C18 | N17 | 83.5° | 0.4° |
| C23 | C21 | C18 | C19 | 97.0° | 180.0° |
| O22 | C21 | C18 | N17 | 90.4° | 179.6° |
| O22 | C21 | C18 | C19 | 89.2° | 0.0° |
| O22 | C21 | C23 | H11 | 89.4° | 145.0° |
| C21 | C18 | N17 | C19 | 179.5° | 179.6° |
| C21 | C18 | N17 | C11 | 178.3° | 179.7° |
| C21 | C18 | C19 | O20 | 1.9° | 0.0° |
| C21 | C18 | C19 | N09 | 179.6° | 180.0° |
| C18 | C21 | C23 | H11 | 84.0° | 35.0° |
| CL16 | C12 | C11 | N17 | 2.0° | 0.1° |
| CL16 | C12 | C11 | C13 | 177.6° | 179.9° |
| CL16 | C12 | C11 | C10 | 179.1° | 180.0° |
| CL16 | C12 | C13 | C14 | 179.5° | 179.9° |
| CL16 | C12 | C13 | H1 | 0.5° | 0.0° |
| C18 | N17 | C11 | C12 | 179.6° | 180.0° |
| C18 | N17 | C11 | C10 | 1.5° | 0.1° |
| N17 | C18 | C19 | O20 | 178.6° | 179.6° |
| N17 | C18 | C19 | N09 | 0.1° | 0.4° |
| C11 | N17 | C18 | C19 | 1.2° | 0.1° |
| N17 | C11 | C12 | C10 | 178.9° | 179.9° |
| N17 | C11 | C12 | C13 | 179.6° | 180.0° |
| N17 | C11 | C10 | N09 | 0.5° | 0.0° |
| N17 | C11 | C10 | C15 | 178.7° | 179.7° |
| C18 | C19 | O20 | N09 | 178.4° | 180.0° |
| C18 | C19 | N09 | C10 | 1.1° | 0.5° |
| C18 | C19 | N09 | C06 | 179.2° | 179.6° |
| C11 | C12 | C13 | C14 | 2.1° | 0.0° |
| C12 | C11 | C10 | N09 | 179.4° | 179.9° |
| C12 | C11 | C10 | C15 | 0.2° | 0.2° |
| C11 | C12 | C13 | H1 | 177.9° | 179.9° |
| C13 | C12 | C11 | C10 | 1.5° | 0.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.1° | 0.3° |
| C12 | C13 | C14 | H2 | 178.9° | 180.0° |
| C11 | C10 | N09 | C19 | 0.8° | 0.3° |
| C11 | C10 | N09 | C15 | 179.2° | 179.7° |
| C11 | C10 | N09 | C06 | 178.9° | 179.8° |
| C11 | C10 | C15 | C14 | 1.2° | 0.5° |
| C11 | C10 | C15 | H3 | 178.8° | 179.7° |
| O20 | C19 | N09 | C10 | 179.5° | 179.6° |
| O20 | C19 | N09 | C06 | 2.3° | 0.4° |
| C19 | N09 | C10 | C06 | 178.1° | 179.9° |
| C19 | N09 | C10 | C15 | 180.0° | 180.0° |
| C19 | N09 | C06 | C07 | 70.2° | 90.0° |
| C19 | N09 | C06 | C05 | 104.1° | 90.0° |
| C13 | C14 | C15 | C10 | 0.6° | 0.6° |
| C13 | C14 | C15 | H2 | 180.0° | 179.7° |
| C13 | C14 | C15 | H3 | 179.4° | 179.7° |
| C10 | N09 | C06 | C07 | 111.7° | 90.0° |
| N09 | C10 | C15 | C14 | 179.6° | 179.7° |
| C10 | N09 | C06 | C05 | 74.1° | 90.1° |
| N09 | C10 | C15 | H3 | 0.4° | 0.0° |
| C15 | C10 | N09 | C06 | 1.9° | 0.1° |
| C10 | C15 | C14 | H3 | 180.0° | 179.7° |
| C10 | C15 | C14 | H2 | 179.4° | 179.7° |
| N09 | C06 | C07 | C05 | 174.1° | 179.9° |
| N09 | C06 | C07 | C08 | 176.0° | 179.8° |
| N09 | C06 | C05 | C04 | 177.5° | 179.9° |
| N09 | C06 | C05 | H8 | 2.5° | 0.0° |
| N09 | C06 | C07 | H9 | 4.0° | 0.1° |
| C06 | C07 | C08 | H9 | 180.0° | 179.7° |
| C06 | C07 | C08 | C03 | 0.4° | 0.5° |
| C07 | C06 | C05 | C04 | 3.3° | 0.0° |
| C07 | C06 | C05 | H8 | 176.7° | 179.9° |
| C06 | C07 | C08 | H10 | 179.6° | 180.0° |
| C08 | C07 | C06 | C05 | 2.0° | 0.3° |
| C07 | C08 | C03 | H10 | 180.0° | 179.5° |
| C07 | C08 | C03 | C04 | 0.3° | 0.5° |
| C07 | C08 | C03 | O02 | 179.1° | 179.8° |
| C15 | C14 | C13 | H1 | 178.9° | 179.8° |
| C06 | C05 | C04 | H8 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 3.1° | 0.0° |
| C06 | C05 | C04 | H7 | 176.9° | 180.0° |
| C05 | C06 | C07 | H9 | 178.1° | 180.0° |
| C08 | C03 | C04 | C05 | 1.6° | 0.2° |
| C08 | C03 | C04 | O02 | 178.9° | 179.8° |
| C08 | C03 | O02 | C01 | 168.5° | 0.2° |
| C08 | C03 | C04 | H7 | 178.3° | 179.8° |
| C03 | C08 | C07 | H9 | 179.6° | 179.8° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | O02 | 179.5° | 180.0° |
| C04 | C03 | O02 | C01 | 12.6° | 180.0° |
| C03 | C04 | C05 | H8 | 176.9° | 180.0° |
| C04 | C03 | C08 | H10 | 179.7° | 180.0° |
| C03 | O02 | C01 | H4 | 180.0° | 180.0° |
| C03 | O02 | C01 | H5 | 60.0° | 60.0° |
| C03 | O02 | C01 | H6 | 60.0° | 60.0° |
| O02 | C03 | C04 | H7 | 0.5° | 0.0° |
| O02 | C03 | C08 | H10 | 0.9° | 0.2° |
| O02 | C01 | H4 | H5 | 120.0° | 120.1° |
| O02 | C01 | H4 | H6 | 120.0° | 120.0° |
| O02 | C01 | H5 | H6 | 120.0° | 120.0° |
| H1 | C13 | C14 | H2 | 1.1° | 0.1° |
| H2 | C14 | C15 | H3 | 0.6° | 0.0° |
| H4 | C01 | H5 | H6 | 120.0° | 119.9° |
| H7 | C04 | C05 | H8 | 3.2° | 0.0° |
| H9 | C07 | C08 | H10 | 0.4° | 0.2° |
| H12 | C26 | C27 | H14 | 62.6° | 58.1° |
| H12 | C26 | C27 | H15 | 178.5° | 61.8° |
| H13 | C26 | C27 | H14 | 56.4° | 178.3° |
| H13 | C26 | C27 | H15 | 62.5° | 58.4° |
| H14 | C27 | C28 | H16 | 58.2° | 58.1° |
| H14 | C27 | C28 | H17 | 61.0° | 178.3° |
| H15 | C27 | C28 | H16 | 60.7° | 61.8° |
| H15 | C27 | C28 | H17 | 180.0° | 58.4° |






