7CD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | C07 | sing | 1.47Å | 1.48Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C13 | doub | 1.41Å | 1.45Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.36Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| N06 | H7 | sing | 1.01Å | 1.00Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| N06 | H5 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C07 | C08 | 118.2° | 109.5° |
| C07 | N06 | H7 | 109.5° | 111.0° |
| N06 | C07 | H8 | 107.2° | 109.4° |
| N06 | C07 | H9 | 107.2° | 109.5° |
| C07 | N06 | H5 | 109.4° | 111.0° |
| C07 | C08 | C13 | 122.9° | 120.2° |
| C07 | C08 | C09 | 119.6° | 120.2° |
| C08 | C07 | H8 | 107.3° | 109.5° |
| C08 | C07 | H9 | 107.3° | 109.5° |
| C15 | C14 | C13 | 122.7° | 119.7° |
| C14 | C15 | C16 | 120.6° | 121.0° |
| C15 | C14 | H3 | 118.6° | 120.2° |
| C14 | C15 | H4 | 119.7° | 119.5° |
| C14 | C13 | C08 | 123.6° | 121.3° |
| C14 | C13 | C12 | 115.8° | 119.3° |
| C13 | C14 | H3 | 118.7° | 120.1° |
| C15 | C16 | C17 | 118.8° | 121.0° |
| C16 | C15 | H4 | 119.7° | 119.5° |
| C15 | C16 | H11 | 120.6° | 119.4° |
| C13 | C08 | C09 | 117.6° | 119.6° |
| C08 | C13 | C12 | 120.6° | 119.4° |
| C08 | C09 | C10 | 121.8° | 121.0° |
| C08 | C09 | H10 | 119.1° | 119.5° |
| C13 | C12 | C17 | 121.0° | 119.4° |
| C13 | C12 | C11 | 119.3° | 119.3° |
| C16 | C17 | C12 | 121.0° | 119.6° |
| C17 | C16 | H11 | 120.6° | 119.5° |
| C16 | C17 | H12 | 119.5° | 120.2° |
| C09 | C10 | C11 | 121.0° | 121.0° |
| C09 | C10 | H2 | 119.5° | 119.6° |
| C10 | C09 | H10 | 119.1° | 119.5° |
| C17 | C12 | C11 | 119.7° | 121.3° |
| C12 | C17 | H12 | 119.5° | 120.2° |
| C12 | C11 | C10 | 119.8° | 119.7° |
| C12 | C11 | H1 | 120.1° | 120.2° |
| C10 | C11 | H1 | 120.1° | 120.2° |
| C11 | C10 | H2 | 119.5° | 119.5° |
| H7 | N06 | H5 | 109.5° | 111.0° |
| H8 | C07 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C07 | C08 | H8 | 121.3° | 120.0° |
| N06 | C07 | C08 | H9 | 121.2° | 120.0° |
| N06 | C07 | C08 | C13 | 78.8° | 80.0° |
| N06 | C07 | C08 | C09 | 101.9° | 100.2° |
| C07 | N06 | H7 | H5 | 120.0° | 123.9° |
| N06 | C07 | H8 | H9 | 116.0° | 120.0° |
| C07 | C08 | C13 | C14 | 0.3° | 0.1° |
| C07 | C08 | C13 | C09 | 179.3° | 179.8° |
| C07 | C08 | C13 | C12 | 179.4° | 180.0° |
| C07 | C08 | C09 | C10 | 180.0° | 180.0° |
| C08 | C07 | N06 | H7 | 180.0° | 56.0° |
| C08 | C07 | H8 | H9 | 116.1° | 120.0° |
| C07 | C08 | C09 | H10 | 0.0° | 0.0° |
| C08 | C07 | N06 | H5 | 60.0° | 179.9° |
| C15 | C14 | C13 | H3 | 180.0° | 180.0° |
| C14 | C15 | C16 | H4 | 180.0° | 180.0° |
| C15 | C14 | C13 | C08 | 179.6° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C14 | C15 | C16 | H11 | 179.5° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C14 | C13 | C08 | C12 | 179.8° | 179.9° |
| C14 | C13 | C08 | C09 | 179.7° | 179.7° |
| C14 | C13 | C12 | C17 | 0.3° | 0.0° |
| C14 | C13 | C12 | C11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.4° | 180.0° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.1° | 0.0° |
| C16 | C15 | C14 | H3 | 179.4° | 180.0° |
| C15 | C16 | C17 | H12 | 179.9° | 180.0° |
| C13 | C08 | C09 | C10 | 0.6° | 0.2° |
| C08 | C13 | C12 | C17 | 179.9° | 180.0° |
| C08 | C13 | C12 | C11 | 0.2° | 0.0° |
| C08 | C13 | C14 | H3 | 0.4° | 0.1° |
| C13 | C08 | C07 | H8 | 160.0° | 40.0° |
| C13 | C08 | C07 | H9 | 42.5° | 160.0° |
| C13 | C08 | C09 | H10 | 179.4° | 179.8° |
| C09 | C08 | C13 | C12 | 0.1° | 0.2° |
| C08 | C09 | C10 | H10 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.8° | 0.0° |
| C08 | C09 | C10 | H2 | 179.1° | 180.0° |
| C09 | C08 | C07 | H8 | 19.3° | 139.8° |
| C09 | C08 | C07 | H9 | 136.8° | 19.8° |
| C13 | C12 | C17 | C16 | 0.4° | 0.0° |
| C13 | C12 | C17 | C11 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.2° |
| C13 | C12 | C11 | H1 | 179.9° | 180.0° |
| C12 | C13 | C14 | H3 | 179.9° | 180.0° |
| C13 | C12 | C17 | H12 | 179.6° | 180.0° |
| C16 | C17 | C12 | H12 | 180.0° | 180.0° |
| C16 | C17 | C12 | C11 | 180.0° | 180.0° |
| C17 | C16 | C15 | H4 | 179.5° | 180.0° |
| C09 | C10 | C11 | C12 | 0.5° | 0.2° |
| C09 | C10 | C11 | H2 | 180.0° | 180.0° |
| C09 | C10 | C11 | H1 | 179.5° | 180.0° |
| C17 | C12 | C11 | C10 | 179.7° | 179.8° |
| C17 | C12 | C11 | H1 | 0.3° | 0.0° |
| C12 | C17 | C16 | H11 | 179.9° | 180.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.8° |
| C12 | C11 | C10 | H2 | 179.5° | 179.8° |
| C11 | C12 | C17 | H12 | 0.0° | 0.0° |
| C11 | C10 | C09 | H10 | 179.2° | 180.0° |
| H1 | C11 | C10 | H2 | 0.5° | 0.0° |
| H2 | C10 | C09 | H10 | 0.9° | 0.0° |
| H3 | C14 | C15 | H4 | 0.6° | 0.0° |
| H4 | C15 | C16 | H11 | 0.5° | 0.0° |
| H7 | N06 | C07 | H8 | 58.8° | 176.1° |
| H7 | N06 | C07 | H9 | 58.7° | 63.9° |
| H8 | C07 | N06 | H5 | 61.3° | 60.0° |
| H9 | C07 | N06 | H5 | 178.7° | 60.0° |
| H11 | C16 | C17 | H12 | 0.1° | 0.0° |
