GVQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.38Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | |
| C7 | C8 | sing | 1.40Å | 1.39Å | |
| C5 | C11 | doub | 1.39Å | 1.39Å | |
| C8 | C12 | doub | 1.39Å | 1.39Å | |
| C9 | C12 | sing | 1.49Å | 1.52Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | |
| C1 | C13 | doub | 1.37Å | 1.39Å | |
| C9 | C13 | sing | 1.54Å | 1.51Å | |
| C4 | C14 | doub | 1.40Å | 1.38Å | |
| C13 | C14 | sing | 1.37Å | 1.39Å | |
| C9 | C15 | sing | 1.56Å | 1.54Å | |
| C15 | N1 | sing | 1.45Å | 1.47Å | |
| C3 | CL1 | sing | 1.72Å | 1.73Å | |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | H9 | sing | 1.11Å | 1.10Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N1 | H1N1 | sing | 1.00Å | 1.00Å | |
| N1 | H1N2 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.4° | 120.0° |
| C2 | C1 | C13 | 119.6° | 118.3° |
| C2 | C1 | H1 | 120.2° | 119.5° |
| C1 | C2 | H2 | 120.3° | 119.2° |
| C2 | C3 | C4 | 121.2° | 120.0° |
| C2 | C3 | CL1 | 119.8° | 120.0° |
| C3 | C2 | H2 | 120.3° | 120.8° |
| C3 | C4 | C14 | 119.3° | 120.0° |
| C4 | C3 | CL1 | 119.0° | 120.0° |
| C3 | C4 | H4 | 120.3° | 120.8° |
| C5 | C6 | C7 | 119.6° | 120.0° |
| C6 | C5 | C11 | 120.2° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C6 | C7 | C8 | 120.3° | 119.9° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C6 | C7 | H7 | 119.8° | 120.1° |
| C7 | C8 | C12 | 120.3° | 120.0° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | H8 | 119.9° | 119.4° |
| C5 | C11 | C12 | 120.1° | 120.0° |
| C11 | C5 | H5 | 119.9° | 120.0° |
| C5 | C11 | H11 | 120.0° | 119.5° |
| C8 | C12 | C9 | 119.0° | 120.0° |
| C8 | C12 | C11 | 119.5° | 120.0° |
| C12 | C8 | H8 | 119.8° | 120.6° |
| C9 | C12 | C11 | 121.5° | 120.0° |
| C12 | C9 | C13 | 107.7° | 112.5° |
| C12 | C9 | C15 | 113.1° | 114.2° |
| C12 | C9 | H9 | 108.8° | 108.1° |
| C12 | C11 | H11 | 119.9° | 120.5° |
| C1 | C13 | C9 | 121.1° | 118.4° |
| C1 | C13 | C14 | 120.5° | 123.3° |
| C13 | C1 | H1 | 120.2° | 122.1° |
| C9 | C13 | C14 | 118.4° | 118.3° |
| C13 | C9 | C15 | 111.0° | 112.1° |
| C13 | C9 | H9 | 110.9° | 105.8° |
| C4 | C14 | C13 | 120.1° | 118.3° |
| C14 | C4 | H4 | 120.4° | 119.2° |
| C4 | C14 | H14 | 120.0° | 119.5° |
| C13 | C14 | H14 | 120.0° | 122.2° |
| C9 | C15 | N1 | 108.8° | 111.5° |
| C15 | C9 | H9 | 105.3° | 103.4° |
| C9 | C15 | H151 | 109.7° | 109.2° |
| C9 | C15 | H152 | 109.8° | 112.2° |
| N1 | C15 | H151 | 109.7° | 108.2° |
| N1 | C15 | H152 | 109.8° | 108.7° |
| C15 | N1 | H1N1 | 109.5° | 118.8° |
| C15 | N1 | H1N2 | 109.5° | 118.7° |
| H151 | C15 | H152 | 109.0° | 106.9° |
| H1N1 | N1 | H1N2 | 109.4° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C13 | H1 | 180.0° | 179.9° |
| C2 | C1 | C13 | C9 | 179.5° | 180.0° |
| C2 | C1 | C13 | C14 | 0.4° | 0.1° |
| C1 | C2 | C3 | CL1 | 179.9° | 179.9° |
| C2 | C3 | C4 | CL1 | 179.8° | 180.0° |
| C3 | C2 | C1 | C13 | 0.4° | 0.1° |
| C2 | C3 | C4 | C14 | 0.3° | 0.1° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C4 | C14 | H4 | 180.0° | 180.0° |
| C3 | C4 | C14 | C13 | 0.4° | 0.1° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C3 | C4 | C14 | H14 | 179.6° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | C5 | C11 | H5 | 180.0° | 180.0° |
| C6 | C5 | C11 | C12 | 0.1° | 0.0° |
| C6 | C5 | C11 | H11 | 179.9° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | C11 | 0.0° | 0.0° |
| C6 | C7 | C8 | C12 | 0.3° | 0.0° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 179.7° | 179.9° |
| C7 | C8 | C12 | H8 | 180.0° | 180.0° |
| C7 | C8 | C12 | C9 | 179.7° | 180.0° |
| C7 | C8 | C12 | C11 | 0.4° | 0.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C5 | C11 | C12 | C8 | 0.2° | 0.0° |
| C5 | C11 | C12 | C9 | 179.6° | 180.0° |
| C5 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C5 | C6 | H6 | 180.0° | 180.0° |
| C8 | C12 | C9 | C11 | 179.4° | 179.9° |
| C8 | C12 | C9 | C13 | 96.0° | 140.9° |
| C8 | C12 | C9 | C15 | 140.9° | 90.0° |
| C8 | C12 | C11 | H11 | 179.8° | 180.0° |
| C12 | C8 | C7 | H7 | 179.7° | 180.0° |
| C8 | C12 | C9 | H9 | 24.3° | 24.5° |
| C12 | C9 | C13 | C1 | 74.9° | 79.8° |
| C12 | C9 | C13 | C15 | 124.3° | 130.2° |
| C12 | C9 | C13 | H9 | 118.9° | 117.8° |
| C12 | C9 | C13 | C14 | 104.2° | 100.2° |
| C12 | C9 | C15 | H9 | 118.7° | 117.2° |
| C12 | C9 | C15 | N1 | 179.9° | 59.5° |
| C9 | C12 | C11 | H11 | 0.4° | 0.1° |
| C9 | C12 | C8 | H8 | 0.3° | 0.0° |
| C12 | C9 | C15 | H151 | 59.9° | 60.0° |
| C12 | C9 | C15 | H152 | 59.9° | 178.3° |
| C11 | C12 | C9 | C13 | 83.4° | 39.2° |
| C11 | C12 | C9 | C15 | 39.7° | 90.0° |
| C12 | C11 | C5 | H5 | 179.9° | 180.0° |
| C11 | C12 | C8 | H8 | 179.7° | 179.9° |
| C11 | C12 | C9 | H9 | 156.3° | 155.6° |
| C1 | C13 | C9 | C14 | 179.1° | 180.0° |
| C1 | C13 | C14 | C4 | 0.5° | 0.1° |
| C1 | C13 | C9 | C15 | 49.4° | 150.0° |
| C13 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C13 | C14 | H14 | 179.5° | 180.0° |
| C1 | C13 | C9 | H9 | 166.2° | 38.0° |
| C9 | C13 | C14 | C4 | 179.5° | 180.0° |
| C13 | C9 | C15 | H9 | 120.1° | 113.5° |
| C13 | C9 | C15 | N1 | 58.9° | 171.2° |
| C9 | C13 | C1 | H1 | 0.5° | 0.0° |
| C9 | C13 | C14 | H14 | 0.4° | 0.0° |
| C13 | C9 | C15 | H151 | 178.9° | 69.3° |
| C13 | C9 | C15 | H152 | 61.3° | 49.0° |
| C4 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C4 | C3 | CL1 | 179.9° | 179.9° |
| C14 | C13 | C9 | C15 | 131.5° | 30.0° |
| C14 | C13 | C1 | H1 | 179.6° | 180.0° |
| C13 | C14 | C4 | H4 | 179.6° | 180.0° |
| C14 | C13 | C9 | H9 | 14.7° | 142.0° |
| C9 | C15 | N1 | H151 | 120.0° | 120.0° |
| C9 | C15 | N1 | H152 | 120.3° | 124.2° |
| C9 | C15 | H151 | H152 | 120.3° | 121.6° |
| C9 | C15 | N1 | H1N1 | 126.2° | 144.5° |
| C9 | C15 | N1 | H1N2 | 6.2° | 48.9° |
| N1 | C15 | C9 | H9 | 61.2° | 57.7° |
| N1 | C15 | H151 | H152 | 120.2° | 116.9° |
| C15 | N1 | H1N1 | H1N2 | 120.0° | 166.3° |
| CL1 | C3 | C2 | H2 | 0.1° | 0.0° |
| CL1 | C3 | C4 | H4 | 0.1° | 0.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.0° |
| H4 | C4 | C14 | H14 | 0.4° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H5 | C5 | C11 | H11 | 0.1° | 0.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| H9 | C9 | C15 | H151 | 58.8° | 177.2° |
| H9 | C9 | C15 | H152 | 178.5° | 64.5° |
| H151 | C15 | N1 | H1N1 | 113.8° | 95.5° |
| H151 | C15 | N1 | H1N2 | 126.2° | 71.1° |
| H152 | C15 | N1 | H1N1 | 6.0° | 20.3° |
| H152 | C15 | N1 | H1N2 | 114.0° | 173.1° |
