SVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C03 | sing | 1.51Å | 1.47Å | |
| C08 | C09 | sing | 1.53Å | 1.47Å | |
| C10 | C09 | sing | 1.53Å | 1.51Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C02 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | N14 | sing | 1.47Å | 1.47Å | |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| N14 | C15 | sing | 1.35Å | 1.35Å | |
| N14 | C13 | sing | 1.47Å | 1.47Å | |
| O16 | C15 | doub | 1.21Å | 1.22Å | |
| C04 | F07 | sing | 1.35Å | 1.37Å | |
| C04 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.51Å | 1.50Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C03 | 120.0° | 120.1° |
| C01 | C02 | C04 | 118.7° | 119.9° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C01 | C02 | H2 | 120.6° | 120.0° |
| C01 | C03 | C08 | 121.7° | 120.0° |
| C01 | C03 | C05 | 120.0° | 120.1° |
| C03 | C01 | H1 | 120.0° | 120.0° |
| C03 | C08 | C09 | 114.6° | 109.5° |
| C08 | C03 | C05 | 118.2° | 119.9° |
| C03 | C08 | H5 | 108.2° | 109.4° |
| C03 | C08 | H6 | 108.2° | 109.4° |
| C08 | C09 | C10 | 110.6° | 109.5° |
| C08 | C09 | C11 | 111.5° | 109.5° |
| C09 | C08 | H5 | 108.2° | 109.5° |
| C09 | C08 | H6 | 108.2° | 109.5° |
| C08 | C09 | H7 | 108.8° | 109.5° |
| C09 | C10 | C12 | 109.8° | 109.3° |
| C10 | C09 | C11 | 109.4° | 109.5° |
| C10 | C09 | H7 | 108.2° | 109.4° |
| C09 | C10 | H8 | 109.4° | 109.5° |
| C09 | C10 | H9 | 109.4° | 109.5° |
| C10 | C12 | N14 | 109.2° | 108.7° |
| C12 | C10 | H8 | 109.4° | 109.6° |
| C12 | C10 | H9 | 109.4° | 109.4° |
| C10 | C12 | H12 | 109.5° | 109.6° |
| C10 | C12 | H13 | 109.5° | 109.6° |
| C02 | C04 | F07 | 118.7° | 120.0° |
| C02 | C04 | C06 | 122.3° | 120.0° |
| C04 | C02 | H2 | 120.7° | 120.0° |
| C03 | C05 | C06 | 120.0° | 120.0° |
| C03 | C05 | H3 | 120.0° | 120.0° |
| C09 | C11 | C13 | 109.8° | 109.3° |
| C11 | C09 | H7 | 108.2° | 109.5° |
| C09 | C11 | H10 | 109.4° | 109.5° |
| C09 | C11 | H11 | 109.4° | 109.5° |
| C12 | N14 | C15 | 121.0° | 120.6° |
| C12 | N14 | C13 | 113.8° | 118.8° |
| N14 | C12 | H12 | 109.5° | 109.6° |
| N14 | C12 | H13 | 109.5° | 109.6° |
| C11 | C13 | N14 | 109.2° | 108.8° |
| C13 | C11 | H10 | 109.4° | 109.5° |
| C13 | C11 | H11 | 109.4° | 109.4° |
| C11 | C13 | H14 | 109.5° | 109.6° |
| C11 | C13 | H15 | 109.6° | 109.6° |
| C15 | N14 | C13 | 122.0° | 120.6° |
| N14 | C15 | O16 | 121.2° | 120.0° |
| N14 | C15 | C17 | 118.6° | 120.0° |
| N14 | C13 | H14 | 109.5° | 109.6° |
| N14 | C13 | H15 | 109.5° | 109.7° |
| O16 | C15 | C17 | 118.3° | 120.0° |
| F07 | C04 | C06 | 119.0° | 120.0° |
| C04 | C06 | C05 | 118.9° | 119.9° |
| C04 | C06 | H4 | 120.5° | 120.0° |
| C06 | C05 | H3 | 120.0° | 119.9° |
| C05 | C06 | H4 | 120.6° | 120.1° |
| C15 | C17 | H16 | 109.5° | 109.5° |
| C15 | C17 | H17 | 109.4° | 109.5° |
| C15 | C17 | H18 | 109.5° | 109.4° |
| H5 | C08 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.7° |
| H14 | C13 | H15 | 109.5° | 109.6° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H16 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C03 | H1 | 180.0° | 179.7° |
| C02 | C01 | C03 | C08 | 177.0° | 180.0° |
| C01 | C02 | C04 | H2 | 180.0° | 179.9° |
| C02 | C01 | C03 | C05 | 0.1° | 0.0° |
| C01 | C02 | C04 | F07 | 179.6° | 180.0° |
| C01 | C02 | C04 | C06 | 0.9° | 0.0° |
| C01 | C03 | C08 | C05 | 177.0° | 180.0° |
| C01 | C03 | C08 | C09 | 160.1° | 90.0° |
| C03 | C01 | C02 | C04 | 0.5° | 0.0° |
| C01 | C03 | C05 | C06 | 0.1° | 0.0° |
| C03 | C01 | C02 | H2 | 179.5° | 179.9° |
| C01 | C03 | C05 | H3 | 179.8° | 180.0° |
| C01 | C03 | C08 | H5 | 79.2° | 150.0° |
| C01 | C03 | C08 | H6 | 39.4° | 30.0° |
| C03 | C08 | C09 | H5 | 120.7° | 120.0° |
| C03 | C08 | C09 | H6 | 120.7° | 120.0° |
| C03 | C08 | C09 | C10 | 147.0° | 64.9° |
| C03 | C08 | C09 | C11 | 91.1° | 175.0° |
| C08 | C03 | C05 | C06 | 177.2° | 180.0° |
| C08 | C03 | C01 | H1 | 3.0° | 0.3° |
| C08 | C03 | C05 | H3 | 2.8° | 0.0° |
| C03 | C08 | H5 | H6 | 117.7° | 119.9° |
| C03 | C08 | C09 | H7 | 28.2° | 55.0° |
| C08 | C09 | C10 | C11 | 123.1° | 120.0° |
| C08 | C09 | C10 | H7 | 119.1° | 119.9° |
| C08 | C09 | C10 | C12 | 177.9° | 178.6° |
| C09 | C08 | C03 | C05 | 16.9° | 90.0° |
| C08 | C09 | C11 | H7 | 119.7° | 120.0° |
| C08 | C09 | C11 | C13 | 178.4° | 178.6° |
| C09 | C08 | H5 | H6 | 117.7° | 120.1° |
| C08 | C09 | C10 | H8 | 62.0° | 61.4° |
| C08 | C09 | C10 | H9 | 57.8° | 58.7° |
| C08 | C09 | C11 | H10 | 58.3° | 58.7° |
| C08 | C09 | C11 | H11 | 61.6° | 61.5° |
| C09 | C10 | C12 | H8 | 120.1° | 120.0° |
| C09 | C10 | C12 | H9 | 120.1° | 119.9° |
| C10 | C09 | C11 | H7 | 117.7° | 120.0° |
| C09 | C10 | C12 | N14 | 57.3° | 54.6° |
| C10 | C09 | C11 | C13 | 59.0° | 61.4° |
| C10 | C09 | C08 | H5 | 92.3° | 175.1° |
| C10 | C09 | C08 | H6 | 26.3° | 55.0° |
| C09 | C10 | H8 | H9 | 119.8° | 120.1° |
| C10 | C09 | C11 | H10 | 179.1° | 178.7° |
| C10 | C09 | C11 | H11 | 61.1° | 58.6° |
| C09 | C10 | C12 | H12 | 177.2° | 174.4° |
| C09 | C10 | C12 | H13 | 62.7° | 65.1° |
| C12 | C10 | C09 | C11 | 59.0° | 61.4° |
| C10 | C12 | N14 | H12 | 120.0° | 119.8° |
| C10 | C12 | N14 | H13 | 119.9° | 119.7° |
| C10 | C12 | N14 | C15 | 141.8° | 126.4° |
| C10 | C12 | N14 | C13 | 58.1° | 53.6° |
| C12 | C10 | C09 | H7 | 58.8° | 58.6° |
| C12 | C10 | H8 | H9 | 119.8° | 120.0° |
| C10 | C12 | H12 | H13 | 120.1° | 120.4° |
| C02 | C04 | F07 | C06 | 178.7° | 180.0° |
| C02 | C04 | C06 | C05 | 0.9° | 0.0° |
| C04 | C02 | C01 | H1 | 179.5° | 179.7° |
| C02 | C04 | C06 | H4 | 179.1° | 180.0° |
| C03 | C05 | C06 | C04 | 0.3° | 0.0° |
| C03 | C05 | C06 | H3 | 180.0° | 180.0° |
| C05 | C03 | C01 | H1 | 180.0° | 179.7° |
| C03 | C05 | C06 | H4 | 179.7° | 179.9° |
| C05 | C03 | C08 | H5 | 103.9° | 30.0° |
| C05 | C03 | C08 | H6 | 137.6° | 150.0° |
| C09 | C11 | C13 | H10 | 120.0° | 120.0° |
| C09 | C11 | C13 | H11 | 120.1° | 120.0° |
| C09 | C11 | C13 | N14 | 57.3° | 54.6° |
| C11 | C09 | C08 | H5 | 29.7° | 55.0° |
| C11 | C09 | C08 | H6 | 148.2° | 65.0° |
| C11 | C09 | C10 | H8 | 61.1° | 58.6° |
| C11 | C09 | C10 | H9 | 179.0° | 178.7° |
| C09 | C11 | H10 | H11 | 119.8° | 120.1° |
| C09 | C11 | C13 | H14 | 62.6° | 65.1° |
| C09 | C11 | C13 | H15 | 177.2° | 174.6° |
| C12 | N14 | C13 | C11 | 58.1° | 53.6° |
| C12 | N14 | C15 | C13 | 158.5° | 180.0° |
| C12 | N14 | C15 | O16 | 11.1° | 0.0° |
| C12 | N14 | C15 | C17 | 175.3° | 180.0° |
| N14 | C12 | C10 | H8 | 62.8° | 65.4° |
| N14 | C12 | C10 | H9 | 177.3° | 174.6° |
| N14 | C12 | H12 | H13 | 120.1° | 120.3° |
| C12 | N14 | C13 | H14 | 61.9° | 66.2° |
| C12 | N14 | C13 | H15 | 178.1° | 173.5° |
| C11 | C13 | N14 | C15 | 142.0° | 126.4° |
| C11 | C13 | N14 | H14 | 120.0° | 119.8° |
| C11 | C13 | N14 | H15 | 120.0° | 119.9° |
| C13 | C11 | C09 | H7 | 58.7° | 58.6° |
| C13 | C11 | H10 | H11 | 119.8° | 120.0° |
| C11 | C13 | H14 | H15 | 120.1° | 120.3° |
| N14 | C15 | O16 | C17 | 164.3° | 180.0° |
| C15 | N14 | C12 | H12 | 21.8° | 6.6° |
| C15 | N14 | C12 | H13 | 98.3° | 113.9° |
| C15 | N14 | C13 | H14 | 98.1° | 113.9° |
| C15 | N14 | C13 | H15 | 22.0° | 6.5° |
| N14 | C15 | C17 | H16 | 164.7° | 90.0° |
| N14 | C15 | C17 | H17 | 44.7° | 150.0° |
| N14 | C15 | C17 | H18 | 75.3° | 30.0° |
| C13 | N14 | C15 | O16 | 147.5° | 179.9° |
| C13 | N14 | C15 | C17 | 16.7° | 0.0° |
| N14 | C13 | C11 | H10 | 177.3° | 174.6° |
| N14 | C13 | C11 | H11 | 62.8° | 65.4° |
| C13 | N14 | C12 | H12 | 178.0° | 173.4° |
| C13 | N14 | C12 | H13 | 61.9° | 66.1° |
| N14 | C13 | H14 | H15 | 120.1° | 120.4° |
| O16 | C15 | C17 | H16 | 0.0° | 90.0° |
| O16 | C15 | C17 | H17 | 120.0° | 30.0° |
| O16 | C15 | C17 | H18 | 120.0° | 150.0° |
| F07 | C04 | C06 | C05 | 179.5° | 180.0° |
| F07 | C04 | C02 | H2 | 0.4° | 0.0° |
| F07 | C04 | C06 | H4 | 0.5° | 0.0° |
| C04 | C06 | C05 | H4 | 180.0° | 180.0° |
| C06 | C04 | C02 | H2 | 179.0° | 179.9° |
| C04 | C06 | C05 | H3 | 179.7° | 180.0° |
| C15 | C17 | H16 | H17 | 120.0° | 120.0° |
| C15 | C17 | H16 | H18 | 120.0° | 120.0° |
| C15 | C17 | H17 | H18 | 120.0° | 119.9° |
| H1 | C01 | C02 | H2 | 0.5° | 0.3° |
| H3 | C05 | C06 | H4 | 0.3° | 0.0° |
| H5 | C08 | C09 | H7 | 149.0° | 65.0° |
| H6 | C08 | C09 | H7 | 92.5° | 175.0° |
| H7 | C09 | C10 | H8 | 178.8° | 178.7° |
| H7 | C09 | C10 | H9 | 61.3° | 61.3° |
| H7 | C09 | C11 | H10 | 61.3° | 61.3° |
| H7 | C09 | C11 | H11 | 178.8° | 178.6° |
| H8 | C10 | C12 | H12 | 57.1° | 54.4° |
| H8 | C10 | C12 | H13 | 177.3° | 174.9° |
| H9 | C10 | C12 | H12 | 62.7° | 65.6° |
| H9 | C10 | C12 | H13 | 57.4° | 54.8° |
| H10 | C11 | C13 | H14 | 57.4° | 54.8° |
| H10 | C11 | C13 | H15 | 62.7° | 65.5° |
| H11 | C11 | C13 | H14 | 177.3° | 174.9° |
| H11 | C11 | C13 | H15 | 57.2° | 54.6° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
