I15
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.47Å | 1.47Å | Aromatic |
| C2 | O5 | sing | 1.39Å | 1.39Å | |
| C2 | C6 | doub | 1.42Å | 1.42Å | Aromatic |
| C3 | N7 | sing | 1.42Å | 1.42Å | Aromatic |
| C3 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | N9 | doub | 1.37Å | 1.37Å | Aromatic |
| C4 | C10 | sing | 1.45Å | 1.45Å | |
| O5 | C11 | sing | 1.40Å | 1.40Å | |
| C6 | C12 | sing | 1.44Å | 1.44Å | Aromatic |
| C6 | F1 | sing | 1.43Å | 1.43Å | |
| N7 | N9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C12 | doub | 1.43Å | 1.43Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C14 | doub | 1.42Å | 1.42Å | Aromatic |
| C13 | C15 | doub | 1.34Å | 1.34Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.41Å | 1.41Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.40Å | 1.40Å | |
| C18 | N1 | trip | 1.11Å | 1.11Å | |
| C19 | N23 | trip | 1.14Å | 1.14Å | |
| N7 | H7 | sing | 1.00Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C10 | H103 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.7° | 120.7° |
| C2 | C1 | C4 | 131.9° | 131.9° |
| C1 | C2 | O5 | 118.0° | 118.0° |
| C1 | C2 | C6 | 123.0° | 123.0° |
| C3 | C1 | C4 | 107.4° | 107.4° |
| C1 | C3 | N7 | 103.3° | 103.3° |
| C1 | C3 | C8 | 118.0° | 118.0° |
| C1 | C4 | N9 | 109.9° | 109.9° |
| C1 | C4 | C10 | 123.4° | 123.4° |
| O5 | C2 | C6 | 119.0° | 119.0° |
| C2 | O5 | C11 | 122.5° | 122.5° |
| C2 | C6 | C12 | 115.2° | 115.2° |
| C2 | C6 | F1 | 120.5° | 120.5° |
| N7 | C3 | C8 | 138.6° | 138.6° |
| C3 | N7 | N9 | 114.5° | 114.5° |
| C3 | N7 | H7 | 122.7° | 122.7° |
| C3 | C8 | C12 | 122.8° | 122.8° |
| C3 | C8 | H8 | 118.6° | 118.6° |
| N9 | C4 | C10 | 126.7° | 126.7° |
| C4 | N9 | N7 | 104.8° | 104.8° |
| C4 | C10 | H101 | 109.5° | 109.5° |
| C4 | C10 | H102 | 109.5° | 109.5° |
| C4 | C10 | H103 | 109.4° | 109.5° |
| O5 | C11 | C13 | 118.2° | 118.2° |
| O5 | C11 | C14 | 121.6° | 121.6° |
| C12 | C6 | F1 | 124.3° | 124.3° |
| C6 | C12 | C8 | 120.3° | 120.3° |
| C6 | C12 | H12 | 119.9° | 119.9° |
| N9 | N7 | H7 | 122.8° | 122.8° |
| C12 | C8 | H8 | 118.6° | 118.6° |
| C8 | C12 | H12 | 119.9° | 119.9° |
| C13 | C11 | C14 | 120.2° | 120.2° |
| C11 | C13 | C15 | 122.1° | 122.1° |
| C11 | C13 | H13 | 119.0° | 119.0° |
| C11 | C14 | C16 | 115.2° | 115.2° |
| C11 | C14 | H14 | 122.4° | 122.4° |
| C13 | C15 | C17 | 120.3° | 120.3° |
| C13 | C15 | C18 | 116.9° | 116.9° |
| C15 | C13 | H13 | 119.0° | 119.0° |
| C14 | C16 | C17 | 124.2° | 124.2° |
| C14 | C16 | C19 | 117.9° | 117.9° |
| C16 | C14 | H14 | 122.4° | 122.4° |
| C17 | C15 | C18 | 122.5° | 122.5° |
| C15 | C17 | C16 | 117.9° | 117.9° |
| C15 | C17 | H17 | 121.1° | 121.1° |
| C15 | C18 | N1 | 179.9° | 179.9° |
| C17 | C16 | C19 | 117.8° | 117.8° |
| C16 | C17 | H17 | 121.1° | 121.1° |
| C16 | C19 | N23 | 180.0° | 180.0° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 179.0° | 179.0° |
| C1 | C2 | O5 | C6 | 179.2° | 179.2° |
| C2 | C1 | C3 | N7 | 178.6° | 178.6° |
| C2 | C1 | C3 | C8 | 1.2° | 1.2° |
| C2 | C1 | C4 | N9 | 179.3° | 179.3° |
| C2 | C1 | C4 | C10 | 1.1° | 1.1° |
| C1 | C2 | O5 | C11 | 117.9° | 117.9° |
| C1 | C2 | C6 | C12 | 0.9° | 0.9° |
| C1 | C2 | C6 | F1 | 179.0° | 179.0° |
| C3 | C1 | C2 | O5 | 179.5° | 179.5° |
| C3 | C1 | C2 | C6 | 1.4° | 1.4° |
| C1 | C3 | N7 | C8 | 179.7° | 179.7° |
| C3 | C1 | C4 | N9 | 0.5° | 0.5° |
| C3 | C1 | C4 | C10 | 177.7° | 177.7° |
| C1 | C3 | N7 | N9 | 1.2° | 1.2° |
| C1 | C3 | C8 | C12 | 0.7° | 0.7° |
| C1 | C3 | N7 | H7 | 178.8° | 178.8° |
| C1 | C3 | C8 | H8 | 179.3° | 179.3° |
| C4 | C1 | C2 | O5 | 0.8° | 0.8° |
| C4 | C1 | C2 | C6 | 179.9° | 179.9° |
| C4 | C1 | C3 | N7 | 0.4° | 0.4° |
| C4 | C1 | C3 | C8 | 179.8° | 179.8° |
| C1 | C4 | N9 | C10 | 178.1° | 178.1° |
| C1 | C4 | N9 | N7 | 1.2° | 1.2° |
| C1 | C4 | C10 | H101 | 19.5° | 19.5° |
| C1 | C4 | C10 | H102 | 100.5° | 100.5° |
| C1 | C4 | C10 | H103 | 139.5° | 139.5° |
| O5 | C2 | C6 | C12 | 179.9° | 179.9° |
| O5 | C2 | C6 | F1 | 0.1° | 0.1° |
| C2 | O5 | C11 | C13 | 67.1° | 67.1° |
| C2 | O5 | C11 | C14 | 116.0° | 116.0° |
| C6 | C2 | O5 | C11 | 62.9° | 62.9° |
| C2 | C6 | C12 | F1 | 179.9° | 179.9° |
| C2 | C6 | C12 | C8 | 0.4° | 0.4° |
| C2 | C6 | C12 | H12 | 179.7° | 179.7° |
| C3 | N7 | N9 | C4 | 1.5° | 1.5° |
| C3 | N7 | N9 | H7 | 180.0° | 180.0° |
| N7 | C3 | C8 | C12 | 179.0° | 179.0° |
| N7 | C3 | C8 | H8 | 1.0° | 1.0° |
| C3 | C8 | C12 | C6 | 0.3° | 0.3° |
| C8 | C3 | N7 | N9 | 179.1° | 179.1° |
| C3 | C8 | C12 | H8 | 180.0° | 180.0° |
| C8 | C3 | N7 | H7 | 0.9° | 0.9° |
| C3 | C8 | C12 | H12 | 179.7° | 179.7° |
| C4 | N9 | N7 | H7 | 178.5° | 178.5° |
| N9 | C4 | C10 | H101 | 158.4° | 158.4° |
| N9 | C4 | C10 | H102 | 81.6° | 81.6° |
| N9 | C4 | C10 | H103 | 38.4° | 38.3° |
| C10 | C4 | N9 | N7 | 177.0° | 177.0° |
| C4 | C10 | H101 | H102 | 120.0° | 120.0° |
| C4 | C10 | H101 | H103 | 120.0° | 120.0° |
| C4 | C10 | H102 | H103 | 120.0° | 120.0° |
| O5 | C11 | C13 | C14 | 176.9° | 176.9° |
| O5 | C11 | C13 | C15 | 177.9° | 177.9° |
| O5 | C11 | C14 | C16 | 177.9° | 177.9° |
| O5 | C11 | C13 | H13 | 2.1° | 2.1° |
| O5 | C11 | C14 | H14 | 2.1° | 2.1° |
| C6 | C12 | C8 | H12 | 180.0° | 180.0° |
| C6 | C12 | C8 | H8 | 179.7° | 179.7° |
| F1 | C6 | C12 | C8 | 179.6° | 179.6° |
| F1 | C6 | C12 | H12 | 0.4° | 0.4° |
| C11 | C13 | C15 | H13 | 180.0° | 180.0° |
| C13 | C11 | C14 | C16 | 1.1° | 1.1° |
| C11 | C13 | C15 | C17 | 1.9° | 1.9° |
| C11 | C13 | C15 | C18 | 176.0° | 176.0° |
| C13 | C11 | C14 | H14 | 178.9° | 178.8° |
| C14 | C11 | C13 | C15 | 1.0° | 1.0° |
| C11 | C14 | C16 | H14 | 180.0° | 180.0° |
| C11 | C14 | C16 | C17 | 1.6° | 1.6° |
| C11 | C14 | C16 | C19 | 177.4° | 177.4° |
| C14 | C11 | C13 | H13 | 179.0° | 179.0° |
| C13 | C15 | C17 | C18 | 173.7° | 173.7° |
| C13 | C15 | C17 | C16 | 4.4° | 4.4° |
| C13 | C15 | C18 | N1 | 126.0° | 126.0° |
| C13 | C15 | C17 | H17 | 175.5° | 175.5° |
| C14 | C16 | C17 | C15 | 4.4° | 4.4° |
| C14 | C16 | C17 | C19 | 179.0° | 179.0° |
| C14 | C16 | C19 | N23 | 125.6° | 125.6° |
| C14 | C16 | C17 | H17 | 175.6° | 175.6° |
| C15 | C17 | C16 | H17 | 180.0° | 180.0° |
| C15 | C17 | C16 | C19 | 174.6° | 174.6° |
| C17 | C15 | C18 | N1 | 47.9° | 47.9° |
| C17 | C15 | C13 | H13 | 178.1° | 178.1° |
| C18 | C15 | C17 | C16 | 178.2° | 178.2° |
| C18 | C15 | C13 | H13 | 4.0° | 4.0° |
| C18 | C15 | C17 | H17 | 1.8° | 1.8° |
| C17 | C16 | C19 | N23 | 55.3° | 55.3° |
| C17 | C16 | C14 | H14 | 178.3° | 178.4° |
| C19 | C16 | C14 | H14 | 2.6° | 2.6° |
| C19 | C16 | C17 | H17 | 5.4° | 5.4° |
| H8 | C8 | C12 | H12 | 0.3° | 0.3° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
