A1I93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C17 | doub | 1.22Å | 1.26Å | |
| C17 | O18 | sing | 1.35Å | 1.27Å | |
| C17 | C07 | sing | 1.48Å | 1.52Å | |
| C08 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.43Å | Aromatic |
| C10 | C05 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.47Å | Aromatic |
| C05 | N04 | sing | 1.35Å | 1.41Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C16 | N15 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.37Å | Aromatic |
| N15 | C14 | doub | 1.32Å | 1.33Å | Aromatic |
| N04 | C03 | doub | 1.31Å | 1.36Å | Aromatic |
| C12 | C03 | sing | 1.46Å | 1.47Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
| C14 | C13 | sing | 1.37Å | 1.41Å | Aromatic |
| C03 | N02 | sing | 1.38Å | 1.43Å | |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| N02 | H10 | sing | 0.97Å | 1.00Å | |
| O18 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C17 | O18 | 124.2° | 120.0° |
| O19 | C17 | C07 | 115.1° | 120.0° |
| O18 | C17 | C07 | 120.7° | 120.0° |
| C17 | O18 | H11 | 109.5° | 117.0° |
| C17 | C07 | C08 | 118.9° | 119.8° |
| C17 | C07 | C06 | 121.8° | 119.8° |
| C07 | C08 | C09 | 122.0° | 120.4° |
| C08 | C07 | C06 | 119.2° | 120.4° |
| C07 | C08 | H6 | 119.0° | 119.8° |
| C08 | C09 | C10 | 118.9° | 120.2° |
| C09 | C08 | H6 | 119.0° | 119.8° |
| C08 | C09 | H7 | 120.6° | 119.8° |
| C07 | C06 | C05 | 120.4° | 119.8° |
| C07 | C06 | H5 | 119.8° | 120.1° |
| C09 | C10 | C05 | 118.9° | 120.2° |
| C09 | C10 | C11 | 122.7° | 121.2° |
| C10 | C09 | H7 | 120.6° | 119.9° |
| C06 | C05 | C10 | 120.6° | 118.9° |
| C06 | C05 | N04 | 117.0° | 120.0° |
| C05 | C06 | H5 | 119.8° | 120.1° |
| C05 | C10 | C11 | 118.4° | 118.6° |
| C10 | C05 | N04 | 122.4° | 121.1° |
| C10 | C11 | C16 | 121.6° | 123.2° |
| C10 | C11 | C12 | 119.9° | 117.7° |
| C05 | N04 | C03 | 119.4° | 123.4° |
| C11 | C16 | N15 | 123.0° | 119.7° |
| C16 | C11 | C12 | 118.5° | 119.1° |
| C11 | C16 | H9 | 118.5° | 120.2° |
| C16 | N15 | C14 | 119.0° | 122.6° |
| N15 | C16 | H9 | 118.5° | 120.1° |
| C11 | C12 | C03 | 118.8° | 118.7° |
| C11 | C12 | C13 | 118.5° | 118.3° |
| N15 | C14 | C13 | 122.5° | 121.8° |
| N15 | C14 | H8 | 118.8° | 119.1° |
| N04 | C03 | C12 | 121.1° | 120.6° |
| N04 | C03 | N02 | 115.7° | 119.7° |
| C03 | C12 | C13 | 122.6° | 123.0° |
| C12 | C03 | N02 | 123.2° | 119.7° |
| C12 | C13 | C14 | 118.4° | 118.5° |
| C12 | C13 | H1 | 120.8° | 120.7° |
| C14 | C13 | H1 | 120.8° | 120.7° |
| C13 | C14 | H8 | 118.7° | 119.1° |
| C03 | N02 | C01 | 124.3° | 120.0° |
| C03 | N02 | H10 | 105.6° | 120.0° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| C01 | N02 | H10 | 105.7° | 120.0° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.4° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C17 | O18 | C07 | 178.2° | 180.0° |
| O19 | C17 | C07 | C08 | 23.0° | 179.9° |
| O19 | C17 | C07 | C06 | 155.7° | 0.0° |
| O19 | C17 | O18 | H11 | 0.0° | 0.1° |
| O18 | C17 | C07 | C08 | 158.7° | 0.0° |
| O18 | C17 | C07 | C06 | 22.6° | 180.0° |
| C17 | C07 | C08 | C06 | 178.7° | 179.9° |
| C17 | C07 | C08 | C09 | 178.9° | 179.7° |
| C17 | C07 | C06 | C05 | 178.8° | 180.0° |
| C17 | C07 | C06 | H5 | 1.2° | 0.1° |
| C17 | C07 | C08 | H6 | 1.1° | 0.0° |
| C07 | C17 | O18 | H11 | 178.2° | 180.0° |
| C07 | C08 | C09 | H6 | 180.0° | 179.7° |
| C07 | C08 | C09 | C10 | 0.1° | 0.6° |
| C08 | C07 | C06 | C05 | 0.2° | 0.0° |
| C08 | C07 | C06 | H5 | 179.8° | 180.0° |
| C07 | C08 | C09 | H7 | 179.9° | 179.9° |
| C09 | C08 | C07 | C06 | 0.2° | 0.2° |
| C08 | C09 | C10 | H7 | 180.0° | 179.4° |
| C08 | C09 | C10 | C05 | 0.1° | 0.6° |
| C08 | C09 | C10 | C11 | 179.9° | 179.7° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.1° | 0.0° |
| C07 | C06 | C05 | N04 | 180.0° | 179.9° |
| C06 | C07 | C08 | H6 | 179.8° | 180.0° |
| C09 | C10 | C05 | C06 | 0.1° | 0.3° |
| C09 | C10 | C05 | C11 | 179.8° | 179.7° |
| C09 | C10 | C05 | N04 | 179.9° | 179.8° |
| C09 | C10 | C11 | C16 | 0.1° | 0.3° |
| C09 | C10 | C11 | C12 | 179.9° | 179.7° |
| C10 | C09 | C08 | H6 | 179.9° | 179.7° |
| C06 | C05 | C10 | N04 | 179.8° | 179.9° |
| C06 | C05 | C10 | C11 | 179.9° | 180.0° |
| C06 | C05 | N04 | C03 | 179.8° | 179.9° |
| C05 | C10 | C11 | C16 | 179.7° | 180.0° |
| C05 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C05 | N04 | C03 | 0.4° | 0.2° |
| C10 | C05 | C06 | H5 | 179.9° | 180.0° |
| C05 | C10 | C09 | H7 | 179.9° | 180.0° |
| C11 | C10 | C05 | N04 | 0.3° | 0.1° |
| C10 | C11 | C16 | C12 | 179.8° | 180.0° |
| C10 | C11 | C16 | N15 | 179.9° | 179.9° |
| C10 | C11 | C12 | C03 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C10 | C09 | H7 | 0.1° | 0.4° |
| C10 | C11 | C16 | H9 | 0.1° | 0.0° |
| C05 | N04 | C03 | C12 | 0.3° | 0.2° |
| C05 | N04 | C03 | N02 | 179.8° | 179.9° |
| N04 | C05 | C06 | H5 | 0.0° | 0.0° |
| C11 | C16 | N15 | H9 | 180.0° | 179.9° |
| C11 | C16 | N15 | C14 | 0.3° | 0.1° |
| C16 | C11 | C12 | C03 | 179.7° | 180.0° |
| C16 | C11 | C12 | C13 | 0.1° | 0.0° |
| N15 | C16 | C11 | C12 | 0.1° | 0.1° |
| C16 | N15 | C14 | C13 | 0.6° | 0.1° |
| C16 | N15 | C14 | H8 | 179.5° | 180.0° |
| C11 | C12 | C03 | N04 | 0.2° | 0.1° |
| C11 | C12 | C03 | C13 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C03 | N02 | 179.6° | 180.0° |
| C11 | C12 | C13 | H1 | 179.6° | 179.9° |
| C12 | C11 | C16 | H9 | 179.9° | 180.0° |
| N15 | C14 | C13 | C12 | 0.6° | 0.0° |
| N15 | C14 | C13 | H8 | 180.0° | 179.9° |
| N15 | C14 | C13 | H1 | 179.4° | 179.9° |
| C14 | N15 | C16 | H9 | 179.7° | 180.0° |
| N04 | C03 | C12 | N02 | 179.4° | 179.9° |
| N04 | C03 | C12 | C13 | 180.0° | 180.0° |
| N04 | C03 | N02 | C01 | 23.4° | 0.1° |
| N04 | C03 | N02 | H10 | 98.6° | 179.9° |
| C03 | C12 | C13 | C14 | 179.4° | 179.9° |
| C12 | C03 | N02 | C01 | 156.0° | 180.0° |
| C03 | C12 | C13 | H1 | 0.5° | 0.2° |
| C12 | C03 | N02 | H10 | 81.9° | 0.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C13 | C12 | C03 | N02 | 0.5° | 0.1° |
| C12 | C13 | C14 | H8 | 179.4° | 180.0° |
| C03 | N02 | C01 | H10 | 122.0° | 180.0° |
| C03 | N02 | C01 | H2 | 180.0° | 60.0° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| C03 | N02 | C01 | H4 | 60.0° | 180.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.1° |
| N02 | C01 | H2 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| H1 | C13 | C14 | H8 | 0.6° | 0.1° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | N02 | H10 | 58.0° | 119.9° |
| H3 | C01 | N02 | H10 | 178.0° | 120.0° |
| H4 | C01 | N02 | H10 | 62.0° | 0.0° |
| H6 | C08 | C09 | H7 | 0.1° | 0.4° |
