V6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | F | sing | 1.35Å | 1.31Å | |
| C6 | C5 | sing | 1.51Å | 1.48Å | |
| C5 | N | sing | 1.46Å | 1.48Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| N | C3 | sing | 1.35Å | 1.37Å | |
| O | C3 | doub | 1.21Å | 1.21Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| N1 | C2 | sing | 1.47Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | C7 | 121.4° | 120.1° |
| C9 | C8 | H5 | 119.3° | 119.9° |
| C8 | C9 | H6 | 119.8° | 120.0° |
| C9 | C10 | C11 | 117.6° | 120.0° |
| C10 | C9 | H6 | 119.9° | 120.0° |
| C9 | C10 | H15 | 121.2° | 120.0° |
| C8 | C7 | C6 | 119.0° | 120.0° |
| C8 | C7 | H4 | 120.5° | 120.0° |
| C7 | C8 | H5 | 119.4° | 120.0° |
| C10 | C11 | C6 | 122.7° | 120.0° |
| C10 | C11 | F | 117.9° | 120.0° |
| C11 | C10 | H15 | 121.2° | 120.0° |
| C7 | C6 | C11 | 119.0° | 119.9° |
| C7 | C6 | C5 | 119.6° | 120.0° |
| C6 | C7 | H4 | 120.5° | 120.0° |
| C6 | C11 | F | 119.3° | 120.0° |
| C11 | C6 | C5 | 121.4° | 120.1° |
| C6 | C5 | N | 108.8° | 109.5° |
| C6 | C5 | H9 | 109.6° | 109.4° |
| C6 | C5 | H10 | 109.6° | 109.5° |
| C5 | N | C4 | 115.9° | 120.0° |
| C5 | N | C3 | 120.8° | 120.0° |
| N | C5 | H9 | 109.7° | 109.5° |
| N | C5 | H10 | 109.6° | 109.5° |
| C4 | N | C3 | 117.5° | 120.0° |
| N | C4 | H11 | 109.5° | 109.4° |
| N | C4 | H12 | 109.4° | 109.5° |
| N | C4 | H13 | 109.5° | 109.5° |
| N | C3 | O | 124.2° | 120.0° |
| N | C3 | C2 | 118.6° | 120.0° |
| O | C3 | C2 | 117.1° | 120.0° |
| C3 | C2 | N1 | 108.1° | 109.5° |
| C3 | C2 | C1 | 107.1° | 109.5° |
| C3 | C2 | H14 | 110.7° | 109.5° |
| N1 | C2 | C1 | 109.3° | 109.5° |
| C2 | N1 | H1 | 109.5° | 111.0° |
| C2 | N1 | H2 | 109.5° | 111.0° |
| N1 | C2 | H14 | 110.8° | 109.5° |
| C2 | C1 | C | 112.7° | 109.5° |
| C2 | C1 | H7 | 108.7° | 109.5° |
| C2 | C1 | H8 | 108.7° | 109.5° |
| C1 | C2 | H14 | 110.8° | 109.5° |
| C | C1 | H7 | 108.7° | 109.4° |
| C | C1 | H8 | 108.6° | 109.4° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.4° | 109.4° |
| C1 | C | H18 | 109.5° | 109.4° |
| H1 | N1 | H2 | 109.5° | 111.1° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| H11 | C4 | H12 | 109.5° | 109.4° |
| H11 | C4 | H13 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.4° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 0.3° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C9 | C8 | C7 | H4 | 179.8° | 179.7° |
| C8 | C9 | C10 | H15 | 179.7° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C10 | C11 | H15 | 180.0° | 179.7° |
| C9 | C10 | C11 | C6 | 0.6° | 0.6° |
| C9 | C10 | C11 | F | 178.0° | 180.0° |
| C10 | C9 | C8 | H5 | 179.9° | 179.9° |
| C8 | C7 | C6 | H4 | 180.0° | 179.7° |
| C8 | C7 | C6 | C11 | 0.0° | 0.3° |
| C8 | C7 | C6 | C5 | 179.9° | 179.8° |
| C7 | C8 | C9 | H6 | 179.9° | 180.0° |
| C10 | C11 | C6 | C7 | 0.4° | 0.6° |
| C10 | C11 | C6 | F | 178.5° | 179.4° |
| C10 | C11 | C6 | C5 | 179.7° | 179.5° |
| C11 | C10 | C9 | H6 | 179.7° | 179.7° |
| C7 | C6 | C11 | C5 | 179.9° | 179.9° |
| C7 | C6 | C11 | F | 178.1° | 180.0° |
| C7 | C6 | C5 | N | 107.2° | 105.0° |
| C6 | C7 | C8 | H5 | 179.8° | 179.9° |
| C7 | C6 | C5 | H9 | 132.8° | 135.0° |
| C7 | C6 | C5 | H10 | 12.7° | 15.1° |
| C11 | C6 | C5 | N | 72.9° | 74.9° |
| C11 | C6 | C7 | H4 | 180.0° | 180.0° |
| C11 | C6 | C5 | H9 | 47.0° | 45.1° |
| C11 | C6 | C5 | H10 | 167.2° | 165.0° |
| C6 | C11 | C10 | H15 | 179.4° | 179.7° |
| F | C11 | C6 | C5 | 1.8° | 0.1° |
| F | C11 | C10 | H15 | 2.0° | 0.3° |
| C6 | C5 | N | H9 | 119.9° | 120.0° |
| C6 | C5 | N | H10 | 119.9° | 120.0° |
| C6 | C5 | N | C4 | 38.3° | 89.9° |
| C6 | C5 | N | C3 | 114.2° | 90.0° |
| C5 | C6 | C7 | H4 | 0.1° | 0.1° |
| C6 | C5 | H9 | H10 | 120.3° | 119.9° |
| C5 | N | C4 | C3 | 153.4° | 180.0° |
| C5 | N | C3 | O | 4.2° | 0.0° |
| C5 | N | C3 | C2 | 175.9° | 180.0° |
| N | C5 | H9 | H10 | 120.3° | 120.0° |
| C5 | N | C4 | H11 | 180.0° | 90.1° |
| C5 | N | C4 | H12 | 60.0° | 150.0° |
| C5 | N | C4 | H13 | 60.0° | 30.0° |
| C4 | N | C3 | O | 156.2° | 180.0° |
| C4 | N | C3 | C2 | 23.9° | 0.0° |
| C4 | N | C5 | H9 | 158.2° | 30.0° |
| C4 | N | C5 | H10 | 81.6° | 150.0° |
| N | C4 | H11 | H12 | 120.0° | 120.0° |
| N | C4 | H11 | H13 | 120.0° | 120.0° |
| N | C4 | H12 | H13 | 120.0° | 120.1° |
| N | C3 | O | C2 | 179.9° | 180.0° |
| N | C3 | C2 | N1 | 89.0° | 160.0° |
| N | C3 | C2 | C1 | 153.4° | 80.0° |
| C3 | N | C5 | H9 | 5.8° | 150.0° |
| C3 | N | C5 | H10 | 126.0° | 30.0° |
| C3 | N | C4 | H11 | 26.6° | 90.0° |
| C3 | N | C4 | H12 | 146.6° | 29.9° |
| C3 | N | C4 | H13 | 93.4° | 150.0° |
| N | C3 | C2 | H14 | 32.6° | 40.0° |
| O | C3 | C2 | N1 | 91.1° | 20.0° |
| O | C3 | C2 | C1 | 26.5° | 100.0° |
| O | C3 | C2 | H14 | 147.4° | 140.0° |
| C3 | C2 | N1 | C1 | 116.2° | 120.0° |
| C3 | C2 | N1 | H14 | 121.5° | 120.0° |
| C3 | C2 | C1 | H14 | 120.8° | 120.0° |
| C3 | C2 | C1 | C | 162.7° | 175.0° |
| C3 | C2 | N1 | H1 | 180.0° | 64.0° |
| C3 | C2 | N1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H7 | 76.8° | 65.0° |
| C3 | C2 | C1 | H8 | 42.2° | 55.0° |
| N1 | C2 | C1 | H14 | 122.3° | 120.0° |
| N1 | C2 | C1 | C | 80.5° | 65.0° |
| C2 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C2 | C1 | H7 | 40.0° | 55.0° |
| N1 | C2 | C1 | H8 | 159.0° | 175.0° |
| C2 | C1 | C | H7 | 120.5° | 120.0° |
| C2 | C1 | C | H8 | 120.5° | 120.0° |
| C1 | C2 | N1 | H1 | 63.8° | 176.0° |
| C1 | C2 | N1 | H2 | 176.2° | 60.0° |
| C2 | C1 | H7 | H8 | 118.6° | 120.0° |
| C2 | C1 | C | H16 | 180.0° | 180.0° |
| C2 | C1 | C | H17 | 60.0° | 60.0° |
| C2 | C1 | C | H18 | 60.0° | 60.0° |
| C | C1 | H7 | H8 | 118.5° | 120.0° |
| C | C1 | C2 | H14 | 41.9° | 55.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 119.9° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| H1 | N1 | C2 | H14 | 58.5° | 56.1° |
| H2 | N1 | C2 | H14 | 61.5° | 179.9° |
| H4 | C7 | C8 | H5 | 0.2° | 0.4° |
| H5 | C8 | C9 | H6 | 0.1° | 0.1° |
| H6 | C9 | C10 | H15 | 0.3° | 0.0° |
| H7 | C1 | C2 | H14 | 162.4° | 174.9° |
| H7 | C1 | C | H16 | 59.5° | 60.0° |
| H7 | C1 | C | H17 | 179.5° | 180.0° |
| H7 | C1 | C | H18 | 60.5° | 60.0° |
| H8 | C1 | C2 | H14 | 78.6° | 65.0° |
| H8 | C1 | C | H16 | 59.5° | 60.0° |
| H8 | C1 | C | H17 | 60.5° | 60.0° |
| H8 | C1 | C | H18 | 179.5° | 180.0° |
| H11 | C4 | H12 | H13 | 120.0° | 120.0° |
| H16 | C | H17 | H18 | 120.0° | 120.1° |
