29F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| N | C10 | sing | 1.37Å | 1.37Å | |
| N | C11 | sing | 1.35Å | 1.36Å | |
| O | C11 | doub | 1.22Å | 1.26Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C4 | sing | 1.51Å | 1.53Å | |
| N1 | C10 | doub | 1.31Å | 1.35Å | |
| N1 | C17 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.40Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.40Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 107.9° | 109.5° |
| C | C1 | C3 | 110.4° | 109.5° |
| C | C1 | C4 | 110.3° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | HA | 109.4° | 109.5° |
| C1 | C | HB | 109.5° | 109.5° |
| C10 | N | C11 | 121.7° | 120.5° |
| N | C10 | N1 | 119.2° | 123.0° |
| N | C10 | C7 | 122.1° | 118.5° |
| C10 | N | HN | 119.1° | 119.8° |
| N | C11 | O | 120.3° | 121.3° |
| N | C11 | C12 | 118.6° | 117.4° |
| C11 | N | HN | 119.2° | 119.7° |
| O | C11 | C12 | 121.0° | 121.3° |
| C2 | C1 | C3 | 108.9° | 109.4° |
| C2 | C1 | C4 | 111.2° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H2A | 109.5° | 109.5° |
| C1 | C2 | H2B | 109.5° | 109.5° |
| C3 | C1 | C4 | 108.2° | 109.5° |
| C1 | C3 | H3 | 109.5° | 109.4° |
| C1 | C3 | H3A | 109.5° | 109.5° |
| C1 | C3 | H3B | 109.5° | 109.4° |
| C1 | C4 | C5 | 121.6° | 119.8° |
| C1 | C4 | C9 | 120.9° | 119.8° |
| C10 | N1 | C17 | 121.9° | 121.7° |
| N1 | C10 | C7 | 118.7° | 118.5° |
| N1 | C17 | C12 | 119.8° | 119.2° |
| N1 | C17 | C16 | 119.3° | 121.5° |
| C5 | C4 | C9 | 117.5° | 120.3° |
| C4 | C5 | C6 | 121.2° | 120.2° |
| C4 | C5 | H5 | 119.4° | 119.9° |
| C4 | C9 | C8 | 121.6° | 120.1° |
| C4 | C9 | H9 | 119.2° | 120.0° |
| C5 | C6 | C7 | 120.9° | 119.8° |
| C6 | C5 | H5 | 119.4° | 119.9° |
| C5 | C6 | H6 | 119.5° | 120.1° |
| C6 | C7 | C8 | 118.3° | 119.7° |
| C6 | C7 | C10 | 122.3° | 120.2° |
| C7 | C6 | H6 | 119.6° | 120.1° |
| C8 | C7 | C10 | 119.4° | 120.1° |
| C7 | C8 | C9 | 120.6° | 119.9° |
| C7 | C8 | H8 | 119.7° | 120.1° |
| C9 | C8 | H8 | 119.7° | 120.0° |
| C8 | C9 | H9 | 119.2° | 119.9° |
| C11 | C12 | C13 | 121.4° | 121.8° |
| C11 | C12 | C17 | 118.8° | 118.2° |
| C13 | C12 | C17 | 119.8° | 120.1° |
| C12 | C13 | C14 | 119.3° | 119.5° |
| C12 | C13 | H13 | 120.4° | 120.3° |
| C12 | C17 | C16 | 120.9° | 119.3° |
| C13 | C14 | C15 | 121.2° | 120.6° |
| C14 | C13 | H13 | 120.3° | 120.2° |
| C13 | C14 | H14 | 119.4° | 119.7° |
| C14 | C15 | C16 | 119.5° | 120.8° |
| C15 | C14 | H14 | 119.4° | 119.7° |
| C14 | C15 | H15 | 120.2° | 119.6° |
| C15 | C16 | C17 | 119.2° | 119.7° |
| C16 | C15 | H15 | 120.2° | 119.6° |
| C15 | C16 | H16 | 120.4° | 120.1° |
| C17 | C16 | H16 | 120.4° | 120.2° |
| H | C | HA | 109.5° | 109.5° |
| H | C | HB | 109.5° | 109.4° |
| HA | C | HB | 109.5° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| H2 | C2 | H2B | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.4° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 119.8° | 120.0° |
| C | C1 | C2 | C4 | 121.0° | 120.1° |
| C | C1 | C3 | C4 | 120.8° | 120.0° |
| C | C1 | C4 | C5 | 67.1° | 60.0° |
| C | C1 | C4 | C9 | 112.6° | 120.3° |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 120.0° |
| C1 | C | HA | HB | 120.0° | 120.1° |
| C | C1 | C2 | H2 | 180.0° | 60.0° |
| C | C1 | C2 | H2A | 60.0° | 180.0° |
| C | C1 | C2 | H2B | 60.0° | 60.0° |
| C | C1 | C3 | H3 | 180.0° | 60.0° |
| C | C1 | C3 | H3A | 60.0° | 180.0° |
| C | C1 | C3 | H3B | 60.0° | 60.0° |
| C10 | N | C11 | HN | 180.0° | 179.7° |
| C10 | N | C11 | O | 179.6° | 179.9° |
| N | C10 | N1 | C7 | 179.8° | 179.9° |
| N | C10 | N1 | C17 | 0.4° | 0.1° |
| N | C10 | C7 | C6 | 0.1° | 180.0° |
| N | C10 | C7 | C8 | 180.0° | 0.0° |
| C10 | N | C11 | C12 | 0.2° | 0.0° |
| N | C11 | O | C12 | 179.7° | 179.9° |
| C11 | N | C10 | N1 | 0.1° | 0.1° |
| C11 | N | C10 | C7 | 179.9° | 180.0° |
| N | C11 | C12 | C13 | 179.7° | 180.0° |
| N | C11 | C12 | C17 | 0.4° | 0.0° |
| O | C11 | C12 | C13 | 0.6° | 0.1° |
| O | C11 | C12 | C17 | 179.3° | 179.9° |
| O | C11 | N | HN | 0.4° | 0.3° |
| C2 | C1 | C3 | C4 | 121.0° | 120.0° |
| C2 | C1 | C4 | C5 | 173.3° | 60.0° |
| C2 | C1 | C4 | C9 | 7.0° | 119.7° |
| C2 | C1 | C | H | 180.0° | 60.0° |
| C2 | C1 | C | HA | 60.0° | 180.0° |
| C2 | C1 | C | HB | 60.0° | 59.9° |
| C1 | C2 | H2 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2B | 120.0° | 120.0° |
| C1 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | C1 | C3 | H3 | 61.7° | 180.0° |
| C2 | C1 | C3 | H3A | 178.2° | 60.0° |
| C2 | C1 | C3 | H3B | 58.2° | 60.0° |
| C3 | C1 | C4 | C5 | 53.7° | 180.0° |
| C3 | C1 | C4 | C9 | 126.6° | 0.2° |
| C3 | C1 | C | H | 61.1° | 180.0° |
| C3 | C1 | C | HA | 178.8° | 60.0° |
| C3 | C1 | C | HB | 58.9° | 60.0° |
| C3 | C1 | C2 | H2 | 60.2° | 60.0° |
| C3 | C1 | C2 | H2A | 59.8° | 60.0° |
| C3 | C1 | C2 | H2B | 179.8° | 180.0° |
| C1 | C3 | H3 | H3A | 120.0° | 120.0° |
| C1 | C3 | H3 | H3B | 120.0° | 120.0° |
| C1 | C3 | H3A | H3B | 120.0° | 120.0° |
| C1 | C4 | C5 | C9 | 179.7° | 179.7° |
| C1 | C4 | C5 | C6 | 179.6° | 180.0° |
| C1 | C4 | C9 | C8 | 180.0° | 179.8° |
| C4 | C1 | C | H | 58.4° | 60.0° |
| C4 | C1 | C | HA | 61.6° | 60.0° |
| C4 | C1 | C | HB | 178.4° | 180.0° |
| C4 | C1 | C2 | H2 | 59.0° | 180.0° |
| C4 | C1 | C2 | H2A | 179.0° | 60.0° |
| C4 | C1 | C2 | H2B | 61.0° | 60.0° |
| C4 | C1 | C3 | H3 | 59.2° | 60.0° |
| C4 | C1 | C3 | H3A | 60.8° | 60.0° |
| C4 | C1 | C3 | H3B | 179.2° | 180.0° |
| C1 | C4 | C5 | H5 | 0.4° | 0.1° |
| C1 | C4 | C9 | H9 | 0.0° | 0.1° |
| N1 | C10 | C7 | C6 | 179.7° | 0.0° |
| N1 | C10 | C7 | C8 | 0.2° | 179.9° |
| C10 | N1 | C17 | C12 | 0.6° | 0.0° |
| C10 | N1 | C17 | C16 | 179.7° | 179.9° |
| N1 | C10 | N | HN | 179.9° | 179.8° |
| C17 | N1 | C10 | C7 | 179.8° | 180.0° |
| N1 | C17 | C12 | C11 | 0.7° | 0.0° |
| N1 | C17 | C12 | C13 | 179.4° | 180.0° |
| N1 | C17 | C12 | C16 | 179.7° | 179.9° |
| N1 | C17 | C16 | C15 | 179.3° | 180.0° |
| N1 | C17 | C16 | H16 | 0.7° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C9 | C8 | 0.3° | 0.5° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | C9 | H9 | 179.7° | 179.6° |
| C9 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | C9 | C8 | C7 | 0.4° | 0.5° |
| C4 | C9 | C8 | H9 | 180.0° | 179.8° |
| C9 | C4 | C5 | H5 | 179.9° | 179.8° |
| C4 | C9 | C8 | H8 | 179.6° | 179.8° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | C10 | 179.7° | 180.0° |
| C6 | C7 | C8 | C10 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C7 | C6 | C5 | H5 | 179.7° | 179.9° |
| C6 | C7 | C8 | H8 | 179.8° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.7° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | H9 | 179.6° | 179.6° |
| C10 | C7 | C8 | C9 | 179.9° | 179.8° |
| C7 | C10 | N | HN | 0.1° | 0.3° |
| C10 | C7 | C6 | H6 | 0.3° | 0.0° |
| C10 | C7 | C8 | H8 | 0.1° | 0.0° |
| C11 | C12 | C13 | C17 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C11 | C12 | C17 | C16 | 179.7° | 179.9° |
| C12 | C11 | N | HN | 179.8° | 179.7° |
| C11 | C12 | C13 | H13 | 0.0° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C17 | C16 | 0.3° | 0.1° |
| C12 | C13 | C14 | H14 | 179.7° | 179.9° |
| C17 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C17 | C16 | C15 | 0.4° | 0.1° |
| C17 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C17 | C16 | H16 | 179.6° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H15 | 179.9° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C14 | C13 | H13 | 179.7° | 180.0° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C16 | C15 | C14 | H14 | 179.9° | 179.9° |
| C17 | C16 | C15 | H15 | 179.8° | 180.0° |
| H | C | HA | HB | 120.0° | 119.9° |
| H2 | C2 | H2A | H2B | 119.9° | 120.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.1° |
| H5 | C5 | C6 | H6 | 0.3° | 0.1° |
| H8 | C8 | C9 | H9 | 0.4° | 0.1° |
| H13 | C13 | C14 | H14 | 0.3° | 0.1° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H15 | C15 | C16 | H16 | 0.2° | 0.1° |
