NVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S16 | C15 | sing | 1.70Å | 1.79Å | Aromatic |
| S16 | C17 | sing | 1.76Å | 1.76Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.59Å | |
| C15 | C19 | doub | 1.37Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.50Å | 1.54Å | |
| C17 | C18 | doub | 1.33Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| C19 | C20 | sing | 1.49Å | 1.45Å | |
| C12 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | N21 | sing | 1.32Å | 1.39Å | Aromatic |
| C11 | N10 | doub | 1.32Å | 1.38Å | Aromatic |
| N21 | C09 | doub | 1.33Å | 1.37Å | Aromatic |
| N10 | C09 | sing | 1.33Å | 1.35Å | Aromatic |
| C09 | S08 | sing | 1.76Å | 1.86Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| S08 | C07 | sing | 1.81Å | 1.91Å | |
| C07 | C05 | sing | 1.51Å | 1.53Å | |
| C02 | C05 | sing | 1.51Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | O06 | doub | 1.21Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | S16 | C17 | 97.4° | 91.9° |
| S16 | C15 | C14 | 133.0° | 127.1° |
| S16 | C15 | C19 | 105.2° | 110.6° |
| S16 | C17 | C18 | 106.2° | 109.8° |
| S16 | C17 | H3 | 126.9° | 125.1° |
| C15 | C14 | C13 | 115.5° | 109.7° |
| C14 | C15 | C19 | 121.8° | 122.4° |
| C15 | C14 | H16 | 107.9° | 109.4° |
| C15 | C14 | H17 | 107.9° | 109.4° |
| C14 | C13 | C12 | 113.7° | 111.9° |
| C14 | C13 | H1 | 108.4° | 109.0° |
| C14 | C13 | H2 | 108.4° | 108.9° |
| C13 | C14 | H16 | 107.9° | 109.4° |
| C13 | C14 | H17 | 108.0° | 109.5° |
| C15 | C19 | C18 | 115.8° | 113.5° |
| C15 | C19 | C20 | 120.5° | 119.5° |
| C13 | C12 | C20 | 120.6° | 121.3° |
| C13 | C12 | C11 | 122.1° | 120.8° |
| C12 | C13 | H1 | 108.4° | 108.9° |
| C12 | C13 | H2 | 108.4° | 109.0° |
| C17 | C18 | C19 | 115.5° | 114.3° |
| C18 | C17 | H3 | 126.9° | 125.1° |
| C17 | C18 | H18 | 122.3° | 122.9° |
| C18 | C19 | C20 | 123.7° | 127.0° |
| C19 | C18 | H18 | 122.2° | 122.9° |
| C19 | C20 | C12 | 122.7° | 117.7° |
| C19 | C20 | N21 | 115.8° | 122.2° |
| C20 | C12 | C11 | 117.2° | 117.9° |
| C12 | C20 | N21 | 121.5° | 120.2° |
| C12 | C11 | N10 | 120.4° | 119.0° |
| C12 | C11 | H15 | 119.8° | 120.5° |
| C20 | N21 | C09 | 118.5° | 119.9° |
| C11 | N10 | C09 | 119.5° | 121.5° |
| N10 | C11 | H15 | 119.8° | 120.5° |
| N21 | C09 | N10 | 122.9° | 121.5° |
| N21 | C09 | S08 | 116.9° | 119.2° |
| N10 | C09 | S08 | 120.2° | 119.2° |
| C09 | S08 | C07 | 113.6° | 100.0° |
| C01 | C02 | C05 | 112.0° | 109.4° |
| C01 | C02 | C03 | 108.8° | 109.5° |
| C01 | C02 | C04 | 109.0° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.4° | 109.5° |
| S08 | C07 | C05 | 117.6° | 109.5° |
| S08 | C07 | H13 | 107.4° | 109.5° |
| S08 | C07 | H14 | 107.4° | 109.4° |
| C07 | C05 | C02 | 126.0° | 120.0° |
| C07 | C05 | O06 | 117.9° | 120.0° |
| C05 | C07 | H13 | 107.4° | 109.5° |
| C05 | C07 | H14 | 107.4° | 109.5° |
| C05 | C02 | C03 | 109.9° | 109.5° |
| C05 | C02 | C04 | 107.6° | 109.4° |
| C02 | C05 | O06 | 116.1° | 120.1° |
| C03 | C02 | C04 | 109.5° | 109.5° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C02 | C03 | H8 | 109.4° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.4° |
| C02 | C04 | H10 | 109.5° | 109.5° |
| C02 | C04 | H11 | 109.5° | 109.5° |
| C02 | C04 | H12 | 109.5° | 109.4° |
| H1 | C13 | H2 | 109.5° | 109.0° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.5° |
| H7 | C03 | H9 | 109.5° | 109.4° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H10 | C04 | H11 | 109.4° | 109.5° |
| H10 | C04 | H12 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S16 | C15 | C14 | C19 | 179.9° | 179.8° |
| S16 | C15 | C14 | C13 | 162.0° | 146.9° |
| C15 | S16 | C17 | C18 | 0.0° | 0.3° |
| S16 | C15 | C19 | C18 | 0.0° | 1.0° |
| S16 | C15 | C19 | C20 | 180.0° | 178.2° |
| C15 | S16 | C17 | H3 | 180.0° | 179.6° |
| S16 | C15 | C14 | H16 | 77.2° | 26.9° |
| S16 | C15 | C14 | H17 | 41.1° | 93.0° |
| C17 | S16 | C15 | C14 | 179.9° | 179.1° |
| C17 | S16 | C15 | C19 | 0.0° | 0.7° |
| S16 | C17 | C18 | H3 | 180.0° | 179.9° |
| S16 | C17 | C18 | C19 | 0.0° | 0.2° |
| S16 | C17 | C18 | H18 | 180.0° | 179.8° |
| C15 | C14 | C13 | H16 | 120.9° | 120.0° |
| C15 | C14 | C13 | H17 | 120.9° | 120.1° |
| C15 | C14 | C13 | C12 | 25.9° | 47.0° |
| C14 | C15 | C19 | C18 | 179.9° | 178.9° |
| C14 | C15 | C19 | C20 | 0.1° | 2.0° |
| C15 | C14 | C13 | H1 | 146.5° | 73.6° |
| C15 | C14 | C13 | H2 | 94.7° | 167.5° |
| C15 | C14 | H16 | H17 | 117.2° | 119.9° |
| C13 | C14 | C15 | C19 | 18.1° | 33.3° |
| C14 | C13 | C12 | H1 | 120.6° | 120.6° |
| C14 | C13 | C12 | H2 | 120.6° | 120.5° |
| C14 | C13 | C12 | C20 | 18.0° | 34.5° |
| C14 | C13 | C12 | C11 | 162.3° | 145.7° |
| C14 | C13 | H1 | H2 | 118.1° | 118.8° |
| C13 | C14 | H16 | H17 | 117.3° | 119.9° |
| C15 | C19 | C18 | C17 | 0.1° | 0.8° |
| C15 | C19 | C18 | C20 | 180.0° | 179.1° |
| C15 | C19 | C20 | C12 | 9.8° | 14.9° |
| C15 | C19 | C20 | N21 | 170.1° | 164.7° |
| C19 | C15 | C14 | H16 | 102.7° | 153.3° |
| C19 | C15 | C14 | H17 | 139.0° | 86.8° |
| C15 | C19 | C18 | H18 | 179.9° | 179.2° |
| C13 | C12 | C20 | C19 | 0.3° | 2.6° |
| C13 | C12 | C20 | C11 | 179.7° | 179.8° |
| C13 | C12 | C20 | N21 | 179.8° | 177.7° |
| C13 | C12 | C11 | N10 | 179.7° | 178.6° |
| C12 | C13 | H1 | H2 | 118.1° | 118.8° |
| C13 | C12 | C11 | H15 | 0.2° | 1.4° |
| C12 | C13 | C14 | H16 | 95.0° | 166.9° |
| C12 | C13 | C14 | H17 | 146.8° | 73.1° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 180.0° | 178.3° |
| C18 | C19 | C20 | C12 | 170.2° | 164.1° |
| C18 | C19 | C20 | N21 | 9.9° | 16.3° |
| C19 | C18 | C17 | H3 | 179.9° | 179.9° |
| C19 | C20 | C12 | N21 | 179.9° | 179.6° |
| C19 | C20 | C12 | C11 | 180.0° | 177.6° |
| C19 | C20 | N21 | C09 | 179.9° | 178.1° |
| C20 | C19 | C18 | H18 | 0.0° | 1.7° |
| C20 | C12 | C11 | N10 | 0.0° | 1.2° |
| C12 | C20 | N21 | C09 | 0.0° | 1.5° |
| C20 | C12 | C13 | H1 | 138.6° | 86.1° |
| C20 | C12 | C13 | H2 | 102.6° | 155.0° |
| C20 | C12 | C11 | H15 | 180.0° | 178.8° |
| C11 | C12 | C20 | N21 | 0.1° | 2.1° |
| C12 | C11 | N10 | H15 | 180.0° | 180.0° |
| C12 | C11 | N10 | C09 | 0.1° | 0.2° |
| C11 | C12 | C13 | H1 | 41.7° | 93.7° |
| C11 | C12 | C13 | H2 | 77.1° | 25.2° |
| C20 | N21 | C09 | N10 | 0.1° | 0.0° |
| C20 | N21 | C09 | S08 | 179.8° | 179.9° |
| C11 | N10 | C09 | N21 | 0.1° | 0.8° |
| C11 | N10 | C09 | S08 | 179.9° | 179.2° |
| N21 | C09 | N10 | S08 | 179.7° | 179.9° |
| N21 | C09 | S08 | C07 | 19.9° | 180.0° |
| N10 | C09 | S08 | C07 | 159.8° | 0.0° |
| C09 | N10 | C11 | H15 | 179.9° | 179.8° |
| C09 | S08 | C07 | C05 | 91.6° | 180.0° |
| C09 | S08 | C07 | H13 | 147.3° | 60.0° |
| C09 | S08 | C07 | H14 | 29.6° | 60.0° |
| C01 | C02 | C05 | C07 | 74.0° | 180.0° |
| C01 | C02 | C05 | C03 | 121.1° | 120.0° |
| C01 | C02 | C05 | C04 | 119.8° | 120.0° |
| C01 | C02 | C03 | C04 | 119.0° | 120.0° |
| C01 | C02 | C05 | O06 | 106.1° | 0.1° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | C03 | H7 | 180.0° | 60.0° |
| C01 | C02 | C03 | H8 | 60.0° | 180.0° |
| C01 | C02 | C03 | H9 | 60.0° | 59.9° |
| C01 | C02 | C04 | H10 | 180.0° | 60.0° |
| C01 | C02 | C04 | H11 | 60.0° | 180.0° |
| C01 | C02 | C04 | H12 | 60.0° | 60.0° |
| S08 | C07 | C05 | H13 | 121.2° | 120.0° |
| S08 | C07 | C05 | H14 | 121.2° | 120.0° |
| S08 | C07 | C05 | C02 | 155.4° | 180.0° |
| S08 | C07 | C05 | O06 | 24.7° | 0.1° |
| S08 | C07 | H13 | H14 | 116.3° | 120.0° |
| C07 | C05 | C02 | O06 | 179.9° | 179.9° |
| C07 | C05 | C02 | C03 | 47.1° | 60.0° |
| C07 | C05 | C02 | C04 | 166.2° | 60.1° |
| C05 | C07 | H13 | H14 | 116.3° | 120.0° |
| C05 | C02 | C03 | C04 | 118.0° | 120.0° |
| C05 | C02 | C01 | H4 | 180.0° | 60.0° |
| C05 | C02 | C01 | H5 | 60.0° | 180.0° |
| C05 | C02 | C01 | H6 | 60.0° | 60.0° |
| C05 | C02 | C03 | H7 | 57.0° | 180.0° |
| C05 | C02 | C03 | H8 | 63.0° | 60.0° |
| C05 | C02 | C03 | H9 | 177.0° | 60.0° |
| C05 | C02 | C04 | H10 | 58.3° | 60.0° |
| C05 | C02 | C04 | H11 | 178.3° | 60.0° |
| C05 | C02 | C04 | H12 | 61.7° | 179.9° |
| C02 | C05 | C07 | H13 | 83.4° | 60.0° |
| C02 | C05 | C07 | H14 | 34.2° | 60.1° |
| C03 | C02 | C05 | O06 | 132.8° | 120.0° |
| C03 | C02 | C01 | H4 | 58.3° | 180.0° |
| C03 | C02 | C01 | H5 | 61.7° | 60.0° |
| C03 | C02 | C01 | H6 | 178.3° | 60.0° |
| C02 | C03 | H7 | H8 | 120.0° | 120.0° |
| C02 | C03 | H7 | H9 | 120.0° | 119.9° |
| C02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C03 | C02 | C04 | H10 | 61.1° | 180.0° |
| C03 | C02 | C04 | H11 | 58.9° | 60.0° |
| C03 | C02 | C04 | H12 | 178.9° | 60.0° |
| C04 | C02 | C05 | O06 | 13.7° | 120.0° |
| C04 | C02 | C01 | H4 | 61.0° | 59.9° |
| C04 | C02 | C01 | H5 | 179.0° | 60.0° |
| C04 | C02 | C01 | H6 | 59.0° | 180.0° |
| C04 | C02 | C03 | H7 | 61.0° | 60.0° |
| C04 | C02 | C03 | H8 | 179.0° | 60.0° |
| C04 | C02 | C03 | H9 | 59.1° | 180.0° |
| C02 | C04 | H10 | H11 | 120.0° | 120.0° |
| C02 | C04 | H10 | H12 | 120.0° | 120.0° |
| C02 | C04 | H11 | H12 | 120.0° | 120.0° |
| O06 | C05 | C07 | H13 | 96.4° | 120.0° |
| O06 | C05 | C07 | H14 | 145.9° | 120.0° |
| H1 | C13 | C14 | H16 | 25.7° | 46.4° |
| H1 | C13 | C14 | H17 | 92.6° | 166.3° |
| H2 | C13 | C14 | H16 | 144.4° | 72.5° |
| H2 | C13 | C14 | H17 | 26.1° | 47.4° |
| H3 | C17 | C18 | H18 | 0.1° | 0.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C03 | H8 | H9 | 120.0° | 120.0° |
| H10 | C04 | H11 | H12 | 120.0° | 120.0° |
