A1IQV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | O01 | sing | 1.42Å | 1.41Å | |
| C03 | N02 | sing | 1.35Å | 1.45Å | |
| O04 | C03 | doub | 1.22Å | 1.18Å | |
| C05 | C03 | sing | 1.48Å | 1.53Å | |
| C06 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C08 | sing | 1.48Å | 1.39Å | |
| N12 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
| C13 | N12 | sing | 1.34Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.47Å | 1.49Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.37Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
| C05 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C24 | sing | 1.46Å | 1.46Å | Aromatic |
| C13 | C18 | sing | 1.41Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | N02 | C03 | 119.9° | 120.0° |
| N02 | O01 | H011 | 109.5° | 114.0° |
| O01 | N02 | H021 | 120.0° | 120.0° |
| N02 | C03 | O04 | 120.2° | 120.0° |
| N02 | C03 | C05 | 121.9° | 120.0° |
| C03 | N02 | H021 | 120.0° | 120.0° |
| O04 | C03 | C05 | 118.0° | 120.0° |
| C03 | C05 | C06 | 121.2° | 120.0° |
| C03 | C05 | C10 | 118.9° | 120.0° |
| C05 | C06 | C07 | 120.6° | 120.0° |
| C06 | C05 | C10 | 120.0° | 120.0° |
| C05 | C06 | H061 | 119.7° | 120.0° |
| C06 | C07 | C08 | 119.4° | 120.0° |
| C07 | C06 | H061 | 119.7° | 120.0° |
| C06 | C07 | H071 | 120.3° | 120.0° |
| C07 | C08 | C09 | 119.5° | 120.0° |
| C07 | C08 | C11 | 125.3° | 120.0° |
| C08 | C07 | H071 | 120.3° | 120.0° |
| C10 | C09 | C08 | 121.2° | 120.0° |
| C09 | C10 | C05 | 119.2° | 120.0° |
| C09 | C10 | H101 | 120.4° | 120.0° |
| C10 | C09 | H091 | 119.4° | 120.0° |
| C09 | C08 | C11 | 115.0° | 120.0° |
| C08 | C09 | H091 | 119.4° | 120.0° |
| C08 | C11 | N12 | 114.1° | 119.6° |
| C08 | C11 | C24 | 123.8° | 119.7° |
| C11 | N12 | C13 | 122.1° | 123.4° |
| N12 | C11 | C24 | 121.9° | 120.7° |
| N12 | C13 | C14 | 117.9° | 120.2° |
| N12 | C13 | C18 | 120.0° | 121.0° |
| C13 | C14 | C15 | 117.6° | 119.9° |
| C14 | C13 | C18 | 122.0° | 118.8° |
| C13 | C14 | H141 | 121.2° | 120.1° |
| C14 | C15 | C16 | 121.1° | 121.0° |
| C15 | C14 | H141 | 121.2° | 120.0° |
| C14 | C15 | H151 | 119.4° | 119.5° |
| C15 | C16 | C17 | 121.3° | 120.6° |
| C16 | C15 | H151 | 119.5° | 119.6° |
| C15 | C16 | H161 | 119.3° | 119.7° |
| C16 | C17 | C18 | 119.0° | 119.8° |
| C17 | C16 | H161 | 119.3° | 119.7° |
| C16 | C17 | H171 | 120.5° | 120.1° |
| C17 | C18 | C19 | 121.2° | 121.4° |
| C17 | C18 | C13 | 118.9° | 119.9° |
| C18 | C17 | H171 | 120.5° | 120.1° |
| C18 | C19 | C20 | 121.7° | 122.5° |
| C19 | C18 | C13 | 119.9° | 118.7° |
| C18 | C19 | C24 | 118.1° | 117.7° |
| C19 | C20 | C21 | 119.6° | 119.5° |
| C20 | C19 | C24 | 120.2° | 119.8° |
| C19 | C20 | H201 | 120.2° | 120.3° |
| C20 | C21 | C22 | 120.2° | 120.8° |
| C21 | C20 | H201 | 120.2° | 120.3° |
| C20 | C21 | H211 | 119.9° | 119.6° |
| C21 | C22 | C23 | 120.6° | 120.9° |
| C22 | C21 | H211 | 119.9° | 119.6° |
| C21 | C22 | H221 | 119.7° | 119.5° |
| C22 | C23 | C24 | 119.8° | 119.6° |
| C22 | C23 | H231 | 120.1° | 120.2° |
| C23 | C22 | H221 | 119.7° | 119.6° |
| C23 | C24 | C11 | 122.4° | 122.1° |
| C23 | C24 | C19 | 119.6° | 119.4° |
| C24 | C23 | H231 | 120.1° | 120.2° |
| C05 | C10 | H101 | 120.4° | 120.0° |
| C11 | C24 | C19 | 118.0° | 118.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | N02 | C03 | H021 | 180.0° | 179.9° |
| O01 | N02 | C03 | O04 | 0.5° | 0.1° |
| O01 | N02 | C03 | C05 | 179.6° | 180.0° |
| N02 | C03 | O04 | C05 | 179.9° | 180.0° |
| N02 | C03 | C05 | C06 | 72.3° | 0.0° |
| N02 | C03 | C05 | C10 | 109.4° | 180.0° |
| C03 | N02 | O01 | H011 | 0.2° | 180.0° |
| O04 | C03 | C05 | C06 | 107.8° | 180.0° |
| O04 | C03 | C05 | C10 | 70.5° | 0.0° |
| O04 | C03 | N02 | H021 | 179.5° | 180.0° |
| C03 | C05 | C06 | C10 | 178.3° | 179.9° |
| C03 | C05 | C06 | C07 | 179.1° | 180.0° |
| C03 | C05 | C10 | C09 | 178.7° | 180.0° |
| C03 | C05 | C10 | H101 | 1.4° | 0.3° |
| C05 | C03 | N02 | H021 | 0.4° | 0.0° |
| C03 | C05 | C06 | H061 | 0.9° | 0.1° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 2.1° | 0.1° |
| C06 | C05 | C10 | C09 | 0.4° | 0.1° |
| C06 | C05 | C10 | H101 | 179.7° | 179.7° |
| C05 | C06 | C07 | H071 | 177.9° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 2.9° | 0.0° |
| C06 | C07 | C08 | C11 | 177.7° | 180.0° |
| C07 | C06 | C05 | C10 | 0.8° | 0.1° |
| C07 | C08 | C09 | C10 | 2.5° | 0.0° |
| C07 | C08 | C09 | C11 | 175.3° | 180.0° |
| C07 | C08 | C11 | N12 | 71.4° | 135.6° |
| C07 | C08 | C11 | C24 | 113.2° | 44.4° |
| C08 | C07 | C06 | H061 | 177.9° | 179.9° |
| C07 | C08 | C09 | H091 | 177.5° | 179.7° |
| C10 | C09 | C08 | H091 | 180.0° | 179.8° |
| C10 | C09 | C08 | C11 | 177.8° | 180.0° |
| C09 | C10 | C05 | H101 | 180.0° | 179.7° |
| C09 | C08 | C11 | N12 | 103.6° | 44.4° |
| C08 | C09 | C10 | C05 | 1.2° | 0.0° |
| C09 | C08 | C11 | C24 | 71.8° | 135.6° |
| C08 | C09 | C10 | H101 | 178.8° | 179.7° |
| C09 | C08 | C07 | H071 | 177.1° | 180.0° |
| C08 | C11 | N12 | C24 | 175.5° | 180.0° |
| C08 | C11 | N12 | C13 | 177.0° | 178.9° |
| C08 | C11 | C24 | C23 | 4.8° | 0.0° |
| C08 | C11 | C24 | C19 | 176.3° | 179.5° |
| C11 | C08 | C07 | H071 | 2.3° | 0.0° |
| C11 | C08 | C09 | H091 | 2.2° | 0.2° |
| C11 | N12 | C13 | C14 | 179.8° | 180.0° |
| N12 | C11 | C24 | C23 | 179.8° | 180.0° |
| C11 | N12 | C13 | C18 | 1.1° | 1.1° |
| N12 | C11 | C24 | C19 | 1.3° | 0.5° |
| N12 | C13 | C14 | C18 | 179.1° | 178.9° |
| N12 | C13 | C14 | C15 | 179.3° | 179.9° |
| N12 | C13 | C18 | C17 | 179.6° | 179.4° |
| N12 | C13 | C18 | C19 | 0.5° | 0.5° |
| C13 | N12 | C11 | C24 | 1.5° | 1.1° |
| N12 | C13 | C14 | H141 | 0.8° | 0.1° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.3° | 1.0° |
| C14 | C13 | C18 | C17 | 1.3° | 0.6° |
| C14 | C13 | C18 | C19 | 179.6° | 179.4° |
| C13 | C14 | C15 | H151 | 178.7° | 180.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.1° |
| C14 | C15 | C16 | C17 | 1.6° | 0.4° |
| C15 | C14 | C13 | C18 | 0.1° | 1.0° |
| C14 | C15 | C16 | H161 | 178.4° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.6° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C16 | C15 | C14 | H141 | 178.7° | 179.1° |
| C15 | C16 | C17 | H171 | 179.6° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C16 | C17 | C18 | C13 | 1.0° | 0.0° |
| C17 | C16 | C15 | H151 | 178.4° | 179.4° |
| C17 | C18 | C19 | C13 | 179.1° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C17 | C18 | C19 | C24 | 179.4° | 180.0° |
| C18 | C17 | C16 | H161 | 179.6° | 179.5° |
| C18 | C19 | C20 | C24 | 179.7° | 180.0° |
| C18 | C19 | C20 | C21 | 179.8° | 179.7° |
| C18 | C19 | C24 | C23 | 179.6° | 179.5° |
| C18 | C19 | C24 | C11 | 0.7° | 0.0° |
| C18 | C19 | C20 | H201 | 0.2° | 0.0° |
| C19 | C18 | C17 | H171 | 0.1° | 0.1° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.5° |
| C20 | C19 | C24 | C11 | 179.0° | 180.0° |
| C20 | C19 | C18 | C13 | 179.4° | 180.0° |
| C19 | C20 | C21 | H211 | 179.3° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.1° |
| C21 | C20 | C19 | C24 | 0.5° | 0.3° |
| C20 | C21 | C22 | H221 | 179.7° | 180.0° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.3° |
| C22 | C21 | C20 | H201 | 179.3° | 179.8° |
| C21 | C22 | C23 | H231 | 179.7° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.7° |
| C22 | C23 | C24 | C11 | 179.4° | 180.0° |
| C22 | C23 | C24 | C19 | 0.5° | 0.5° |
| C23 | C22 | C21 | H211 | 179.7° | 179.9° |
| C23 | C24 | C11 | C19 | 178.9° | 179.5° |
| C24 | C23 | C22 | H221 | 179.7° | 179.7° |
| C10 | C05 | C06 | H061 | 179.2° | 180.0° |
| C05 | C10 | C09 | H091 | 178.8° | 179.8° |
| C11 | C24 | C23 | H231 | 0.6° | 0.3° |
| C13 | C18 | C19 | C24 | 0.3° | 0.0° |
| C18 | C13 | C14 | H141 | 179.9° | 179.0° |
| C13 | C18 | C17 | H171 | 179.0° | 179.9° |
| C24 | C19 | C20 | H201 | 179.5° | 180.0° |
| C19 | C24 | C23 | H231 | 179.5° | 179.8° |
| H101 | C10 | C09 | H091 | 1.2° | 0.0° |
| H201 | C20 | C21 | H211 | 0.8° | 0.3° |
| H211 | C21 | C22 | H221 | 0.3° | 0.0° |
| H141 | C14 | C15 | H151 | 1.3° | 0.0° |
| H231 | C23 | C22 | H221 | 0.3° | 0.0° |
| H151 | C15 | C16 | H161 | 1.6° | 1.0° |
| H161 | C16 | C17 | H171 | 0.4° | 0.4° |
| H011 | O01 | N02 | H021 | 179.7° | 0.1° |
| H061 | C06 | C07 | H071 | 2.1° | 0.1° |
