NVY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C13 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.39Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C13 | C12 | 118.9° | 120.0° |
| F1 | C13 | C8 | 119.2° | 120.1° |
| C13 | C12 | C11 | 119.0° | 120.0° |
| C12 | C13 | C8 | 121.9° | 119.9° |
| C13 | C12 | H14 | 120.5° | 120.0° |
| C12 | C11 | C10 | 120.6° | 120.2° |
| C12 | C11 | H13 | 119.7° | 119.9° |
| C11 | C12 | H14 | 120.5° | 120.0° |
| C13 | C8 | N2 | 120.0° | 120.1° |
| C13 | C8 | C9 | 117.8° | 119.9° |
| C11 | C10 | C9 | 120.7° | 120.1° |
| C11 | C10 | H9 | 119.7° | 120.0° |
| C10 | C11 | H13 | 119.7° | 119.9° |
| N2 | C8 | C9 | 122.2° | 120.0° |
| C8 | N2 | C5 | 125.9° | 120.0° |
| C8 | N2 | H20 | 105.3° | 120.0° |
| C8 | C9 | C10 | 119.9° | 119.9° |
| C8 | C9 | H19 | 120.1° | 120.1° |
| C9 | C10 | H9 | 119.6° | 119.9° |
| C10 | C9 | H19 | 120.1° | 120.0° |
| N2 | C5 | C4 | 109.2° | 109.6° |
| N2 | C5 | C6 | 112.5° | 109.5° |
| N2 | C5 | H4 | 108.5° | 109.6° |
| C5 | N2 | H20 | 105.2° | 120.0° |
| C4 | C5 | C6 | 111.1° | 109.1° |
| C5 | C4 | C3 | 111.6° | 109.3° |
| C5 | C4 | H2 | 108.9° | 109.5° |
| C5 | C4 | H3 | 109.0° | 109.6° |
| C4 | C5 | H4 | 107.8° | 109.5° |
| C5 | C6 | C7 | 111.4° | 109.2° |
| C6 | C5 | H4 | 107.7° | 109.5° |
| C5 | C6 | H5 | 109.0° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.5° |
| C4 | C3 | N1 | 111.3° | 109.5° |
| C3 | C4 | H2 | 108.9° | 109.5° |
| C3 | C4 | H3 | 108.9° | 109.5° |
| C4 | C3 | H17 | 109.0° | 109.4° |
| C4 | C3 | H18 | 109.0° | 109.5° |
| C6 | C7 | N1 | 111.3° | 109.6° |
| C7 | C6 | H5 | 109.0° | 109.5° |
| C7 | C6 | H6 | 109.0° | 109.5° |
| C6 | C7 | H7 | 109.0° | 109.5° |
| C6 | C7 | H8 | 109.0° | 109.4° |
| C3 | N1 | C7 | 109.4° | 111.2° |
| C3 | N1 | C2 | 111.5° | 111.0° |
| N1 | C3 | H17 | 109.0° | 109.5° |
| N1 | C3 | H18 | 109.0° | 109.5° |
| C7 | N1 | C2 | 112.1° | 111.0° |
| N1 | C7 | H7 | 109.0° | 109.4° |
| N1 | C7 | H8 | 109.0° | 109.5° |
| N1 | C2 | C1 | 113.7° | 109.5° |
| N1 | C2 | H15 | 108.4° | 109.5° |
| N1 | C2 | H16 | 108.4° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.4° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C1 | C2 | H15 | 108.4° | 109.4° |
| C1 | C2 | H16 | 108.4° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.4° | 109.6° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C13 | C12 | C8 | 179.6° | 180.0° |
| F1 | C13 | C12 | C11 | 179.8° | 180.0° |
| F1 | C13 | C8 | N2 | 0.4° | 0.0° |
| F1 | C13 | C8 | C9 | 179.8° | 179.8° |
| F1 | C13 | C12 | H14 | 0.2° | 0.0° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.3° |
| C12 | C13 | C8 | N2 | 180.0° | 180.0° |
| C12 | C13 | C8 | C9 | 0.2° | 0.2° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.2° | 0.1° |
| C12 | C11 | C10 | H13 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.1° | 0.3° |
| C12 | C11 | C10 | H9 | 179.9° | 179.7° |
| C13 | C8 | N2 | C9 | 179.7° | 179.8° |
| C13 | C8 | C9 | C10 | 0.1° | 0.2° |
| C13 | C8 | N2 | C5 | 165.7° | 179.7° |
| C8 | C13 | C12 | H14 | 179.8° | 179.9° |
| C13 | C8 | C9 | H19 | 179.9° | 179.7° |
| C13 | C8 | N2 | H20 | 72.0° | 0.2° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | H14 | 180.0° | 179.7° |
| C11 | C10 | C9 | H19 | 179.9° | 180.0° |
| N2 | C8 | C9 | C10 | 179.8° | 180.0° |
| C8 | N2 | C5 | H20 | 122.2° | 179.9° |
| C8 | N2 | C5 | C4 | 176.1° | 155.0° |
| C8 | N2 | C5 | C6 | 60.1° | 85.4° |
| C8 | N2 | C5 | H4 | 58.9° | 34.8° |
| N2 | C8 | C9 | H19 | 0.2° | 0.1° |
| C8 | C9 | C10 | H19 | 180.0° | 179.9° |
| C9 | C8 | N2 | C5 | 14.5° | 0.1° |
| C8 | C9 | C10 | H9 | 179.9° | 180.0° |
| C9 | C8 | N2 | H20 | 107.7° | 180.0° |
| C9 | C10 | C11 | H13 | 179.9° | 180.0° |
| N2 | C5 | C4 | C6 | 124.6° | 119.9° |
| N2 | C5 | C4 | H4 | 117.6° | 120.2° |
| N2 | C5 | C6 | H4 | 119.5° | 120.2° |
| N2 | C5 | C4 | C3 | 174.4° | 177.6° |
| N2 | C5 | C6 | C7 | 172.5° | 177.5° |
| N2 | C5 | C4 | H2 | 65.3° | 62.5° |
| N2 | C5 | C4 | H3 | 54.1° | 57.5° |
| N2 | C5 | C6 | H5 | 52.2° | 57.6° |
| N2 | C5 | C6 | H6 | 67.2° | 62.5° |
| C4 | C5 | C6 | H4 | 117.8° | 119.9° |
| C5 | C4 | C3 | H2 | 120.3° | 119.9° |
| C5 | C4 | C3 | H3 | 120.3° | 120.1° |
| C4 | C5 | C6 | C7 | 49.8° | 57.6° |
| C5 | C4 | C3 | N1 | 56.0° | 59.2° |
| C5 | C4 | H2 | H3 | 119.0° | 120.1° |
| C4 | C5 | C6 | H5 | 70.5° | 62.3° |
| C4 | C5 | C6 | H6 | 170.1° | 177.6° |
| C5 | C4 | C3 | H17 | 64.3° | 179.2° |
| C5 | C4 | C3 | H18 | 176.3° | 60.8° |
| C4 | C5 | N2 | H20 | 53.9° | 24.9° |
| C6 | C5 | C4 | C3 | 49.8° | 57.7° |
| C5 | C6 | C7 | H5 | 120.3° | 119.9° |
| C5 | C6 | C7 | H6 | 120.3° | 119.9° |
| C5 | C6 | C7 | N1 | 56.1° | 59.2° |
| C6 | C5 | C4 | H2 | 170.1° | 177.6° |
| C6 | C5 | C4 | H3 | 70.5° | 62.4° |
| C5 | C6 | H5 | H6 | 119.1° | 120.1° |
| C5 | C6 | C7 | H7 | 176.4° | 60.9° |
| C5 | C6 | C7 | H8 | 64.2° | 179.2° |
| C6 | C5 | N2 | H20 | 177.6° | 94.7° |
| C4 | C3 | N1 | H17 | 120.3° | 120.0° |
| C4 | C3 | N1 | H18 | 120.3° | 120.0° |
| C4 | C3 | N1 | C7 | 61.1° | 61.7° |
| C4 | C3 | N1 | C2 | 174.3° | 174.1° |
| C3 | C4 | H2 | H3 | 119.0° | 120.1° |
| C3 | C4 | C5 | H4 | 68.0° | 62.2° |
| C4 | C3 | H17 | H18 | 119.1° | 120.0° |
| C6 | C7 | N1 | C3 | 61.2° | 61.8° |
| C6 | C7 | N1 | H7 | 120.3° | 120.0° |
| C6 | C7 | N1 | H8 | 120.3° | 120.0° |
| C6 | C7 | N1 | C2 | 174.6° | 174.1° |
| C7 | C6 | C5 | H4 | 68.0° | 62.3° |
| C7 | C6 | H5 | H6 | 119.1° | 120.2° |
| C6 | C7 | H7 | H8 | 119.1° | 119.9° |
| C3 | N1 | C7 | C2 | 124.3° | 124.1° |
| C3 | N1 | C2 | C1 | 112.9° | 65.8° |
| N1 | C3 | C4 | H2 | 176.3° | 179.1° |
| N1 | C3 | C4 | H3 | 64.3° | 60.9° |
| C3 | N1 | C7 | H7 | 178.5° | 58.3° |
| C3 | N1 | C7 | H8 | 59.1° | 178.2° |
| C3 | N1 | C2 | H15 | 126.5° | 174.2° |
| C3 | N1 | C2 | H16 | 7.7° | 54.2° |
| N1 | C3 | H17 | H18 | 119.2° | 120.0° |
| C7 | N1 | C2 | C1 | 124.0° | 170.0° |
| N1 | C7 | C6 | H5 | 64.2° | 60.7° |
| N1 | C7 | C6 | H6 | 176.4° | 179.1° |
| N1 | C7 | H7 | H8 | 119.2° | 120.0° |
| C7 | N1 | C2 | H15 | 3.3° | 50.0° |
| C7 | N1 | C2 | H16 | 115.4° | 70.0° |
| C7 | N1 | C3 | H17 | 59.2° | 178.3° |
| C7 | N1 | C3 | H18 | 178.6° | 58.2° |
| N1 | C2 | C1 | H15 | 120.7° | 120.0° |
| N1 | C2 | C1 | H16 | 120.6° | 120.0° |
| C2 | N1 | C7 | H7 | 54.3° | 65.8° |
| C2 | N1 | C7 | H8 | 65.2° | 54.1° |
| N1 | C2 | C1 | H10 | 180.0° | 60.0° |
| N1 | C2 | C1 | H11 | 60.0° | 60.0° |
| N1 | C2 | C1 | H12 | 60.0° | 180.0° |
| N1 | C2 | H15 | H16 | 118.1° | 120.0° |
| C2 | N1 | C3 | H17 | 65.4° | 54.2° |
| C2 | N1 | C3 | H18 | 54.0° | 65.9° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 119.9° | 120.0° |
| C1 | C2 | H15 | H16 | 118.0° | 120.0° |
| H2 | C4 | C5 | H4 | 52.4° | 57.7° |
| H2 | C4 | C3 | H17 | 56.0° | 60.9° |
| H2 | C4 | C3 | H18 | 63.4° | 59.1° |
| H3 | C4 | C5 | H4 | 171.7° | 177.8° |
| H3 | C4 | C3 | H17 | 175.4° | 59.1° |
| H3 | C4 | C3 | H18 | 55.9° | 179.2° |
| H4 | C5 | C6 | H5 | 171.7° | 177.8° |
| H4 | C5 | C6 | H6 | 52.3° | 57.7° |
| H4 | C5 | N2 | H20 | 63.3° | 145.2° |
| H5 | C6 | C7 | H7 | 56.1° | 179.3° |
| H5 | C6 | C7 | H8 | 175.5° | 59.4° |
| H6 | C6 | C7 | H7 | 63.3° | 59.1° |
| H6 | C6 | C7 | H8 | 56.1° | 60.9° |
| H9 | C10 | C11 | H13 | 0.1° | 0.0° |
| H9 | C10 | C9 | H19 | 0.1° | 0.0° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H10 | C1 | C2 | H15 | 59.4° | 180.0° |
| H10 | C1 | C2 | H16 | 59.4° | 60.0° |
| H11 | C1 | C2 | H15 | 179.4° | 60.0° |
| H11 | C1 | C2 | H16 | 60.6° | 180.0° |
| H12 | C1 | C2 | H15 | 60.7° | 60.0° |
| H12 | C1 | C2 | H16 | 179.4° | 60.0° |
| H13 | C11 | C12 | H14 | 0.0° | 0.0° |
