VCC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C18 | sing | 1.40Å | 1.41Å | |
| F04 | C02 | sing | 1.40Å | 1.23Å | |
| C18 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C18 | C13 | sing | 1.40Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | C05 | sing | 1.51Å | 1.48Å | |
| C02 | F01 | sing | 1.40Å | 1.29Å | |
| C02 | F03 | sing | 1.40Å | 1.28Å | |
| C16 | C15 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | N12 | sing | 1.35Å | 1.26Å | Aromatic |
| C13 | N12 | sing | 1.40Å | 1.33Å | |
| C13 | C14 | doub | 1.39Å | 1.35Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.25Å | |
| C06 | C07 | sing | 1.47Å | 1.48Å | |
| C06 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C07 | O09 | sing | 1.35Å | 1.19Å | |
| N12 | N11 | sing | 1.40Å | 1.29Å | Aromatic |
| N11 | C10 | doub | 1.30Å | 1.29Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.35Å | Aromatic |
| O09 | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| N19 | H7 | sing | 0.97Å | 1.00Å | |
| N19 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C17 | 120.0° | 120.1° |
| N19 | C18 | C13 | 123.9° | 120.1° |
| C18 | N19 | H7 | 109.5° | 120.1° |
| C18 | N19 | H8 | 109.4° | 120.0° |
| F04 | C02 | C05 | 115.8° | 109.4° |
| F04 | C02 | F01 | 108.9° | 109.5° |
| F04 | C02 | F03 | 105.4° | 109.5° |
| C17 | C18 | C13 | 116.1° | 119.8° |
| C18 | C17 | C16 | 119.7° | 120.0° |
| C18 | C17 | H6 | 120.1° | 120.0° |
| C18 | C13 | N12 | 122.0° | 120.1° |
| C18 | C13 | C14 | 125.6° | 119.8° |
| C17 | C16 | C15 | 121.6° | 120.2° |
| C17 | C16 | H5 | 119.2° | 119.9° |
| C16 | C17 | H6 | 120.2° | 120.1° |
| C05 | C02 | F01 | 104.3° | 109.4° |
| C05 | C02 | F03 | 109.7° | 109.5° |
| C02 | C05 | C06 | 127.1° | 126.4° |
| C02 | C05 | N12 | 127.3° | 126.3° |
| F01 | C02 | F03 | 112.9° | 109.5° |
| C16 | C15 | C14 | 120.1° | 120.2° |
| C16 | C15 | H4 | 120.0° | 119.9° |
| C15 | C16 | H5 | 119.2° | 119.9° |
| C06 | C05 | N12 | 105.5° | 107.4° |
| C05 | C06 | C07 | 129.2° | 126.4° |
| C05 | C06 | C10 | 106.2° | 107.2° |
| C05 | N12 | C13 | 132.4° | 125.8° |
| C05 | N12 | N11 | 112.2° | 108.5° |
| N12 | C13 | C14 | 111.3° | 120.1° |
| C13 | N12 | N11 | 115.2° | 125.8° |
| C13 | C14 | C15 | 116.8° | 120.0° |
| C13 | C14 | H3 | 121.6° | 120.0° |
| O08 | C07 | C06 | 115.7° | 120.0° |
| O08 | C07 | O09 | 125.1° | 120.0° |
| C07 | C06 | C10 | 124.6° | 126.4° |
| C06 | C07 | O09 | 119.2° | 120.0° |
| C06 | C10 | N11 | 104.9° | 108.1° |
| C06 | C10 | H2 | 127.5° | 126.0° |
| C07 | O09 | H1 | 109.5° | 117.0° |
| N12 | N11 | C10 | 111.1° | 108.9° |
| N11 | C10 | H2 | 127.6° | 125.9° |
| C15 | C14 | H3 | 121.6° | 120.0° |
| C14 | C15 | H4 | 119.9° | 119.9° |
| H7 | N19 | H8 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C17 | C13 | 178.7° | 179.5° |
| N19 | C18 | C17 | C16 | 179.9° | 180.0° |
| N19 | C18 | C13 | N12 | 10.6° | 0.2° |
| N19 | C18 | C13 | C14 | 177.0° | 180.0° |
| N19 | C18 | C17 | H6 | 0.1° | 0.2° |
| C18 | N19 | H7 | H8 | 120.0° | 180.0° |
| F04 | C02 | C05 | F01 | 119.6° | 119.9° |
| F04 | C02 | C05 | F03 | 119.1° | 120.1° |
| F04 | C02 | F01 | F03 | 116.7° | 120.1° |
| F04 | C02 | C05 | C06 | 111.7° | 37.2° |
| F04 | C02 | C05 | N12 | 71.8° | 143.0° |
| C18 | C17 | C16 | H6 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.6° | 0.2° |
| C17 | C18 | C13 | N12 | 170.8° | 179.8° |
| C17 | C18 | C13 | C14 | 4.4° | 0.5° |
| C18 | C17 | C16 | H5 | 179.3° | 179.8° |
| C17 | C18 | N19 | H7 | 180.0° | 4.6° |
| C17 | C18 | N19 | H8 | 60.0° | 175.4° |
| C13 | C18 | C17 | C16 | 1.4° | 0.5° |
| C18 | C13 | N12 | C05 | 62.8° | 128.0° |
| C18 | C13 | N12 | C14 | 168.1° | 179.8° |
| C18 | C13 | N12 | N11 | 111.4° | 51.8° |
| C18 | C13 | C14 | C15 | 4.9° | 0.2° |
| C18 | C13 | C14 | H3 | 175.1° | 179.8° |
| C13 | C18 | C17 | H6 | 178.6° | 179.7° |
| C13 | C18 | N19 | H7 | 1.4° | 175.9° |
| C13 | C18 | N19 | H8 | 121.4° | 4.1° |
| C17 | C16 | C15 | H5 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H4 | 179.9° | 180.0° |
| C05 | C02 | F01 | F03 | 119.1° | 120.0° |
| C02 | C05 | C06 | N12 | 177.1° | 179.8° |
| C02 | C05 | N12 | C13 | 5.2° | 0.1° |
| C02 | C05 | C06 | C07 | 0.5° | 0.1° |
| C02 | C05 | C06 | C10 | 179.8° | 180.0° |
| C02 | C05 | N12 | N11 | 179.5° | 179.8° |
| F01 | C02 | C05 | C06 | 7.9° | 82.7° |
| F01 | C02 | C05 | N12 | 168.6° | 97.1° |
| F03 | C02 | C05 | C06 | 129.1° | 157.3° |
| F03 | C02 | C05 | N12 | 47.4° | 22.9° |
| C16 | C15 | C14 | C13 | 2.5° | 0.0° |
| C16 | C15 | C14 | H4 | 180.0° | 179.9° |
| C16 | C15 | C14 | H3 | 177.6° | 180.0° |
| C15 | C16 | C17 | H6 | 179.3° | 180.0° |
| C06 | C05 | N12 | C13 | 177.7° | 179.8° |
| C05 | C06 | C07 | O08 | 175.5° | 0.0° |
| C05 | C06 | C07 | C10 | 179.6° | 180.0° |
| C05 | C06 | C07 | O09 | 5.4° | 180.0° |
| C06 | C05 | N12 | N11 | 3.4° | 0.4° |
| C05 | C06 | C10 | N11 | 1.2° | 0.0° |
| C05 | C06 | C10 | H2 | 178.9° | 180.0° |
| C05 | N12 | C13 | N11 | 174.2° | 179.9° |
| C05 | N12 | C13 | C14 | 129.1° | 51.7° |
| N12 | C05 | C06 | C07 | 177.6° | 179.7° |
| N12 | C05 | C06 | C10 | 2.7° | 0.2° |
| C05 | N12 | N11 | C10 | 2.8° | 0.4° |
| C13 | N12 | N11 | C10 | 178.2° | 179.7° |
| N12 | C13 | C14 | C15 | 172.5° | 180.0° |
| N12 | C13 | C14 | H3 | 7.5° | 0.0° |
| C14 | C13 | N12 | N11 | 56.7° | 128.4° |
| C13 | C14 | C15 | H3 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 177.6° | 179.9° |
| O08 | C07 | C06 | O09 | 179.1° | 180.0° |
| O08 | C07 | C06 | C10 | 4.1° | 180.0° |
| O08 | C07 | O09 | H1 | 0.0° | 0.0° |
| C07 | C06 | C10 | N11 | 179.1° | 180.0° |
| C06 | C07 | O09 | H1 | 179.0° | 180.0° |
| C07 | C06 | C10 | H2 | 0.8° | 0.0° |
| C10 | C06 | C07 | O09 | 175.0° | 0.0° |
| C06 | C10 | N11 | N12 | 0.8° | 0.2° |
| C06 | C10 | N11 | H2 | 180.0° | 180.0° |
| N12 | N11 | C10 | H2 | 179.2° | 179.8° |
| C14 | C15 | C16 | H5 | 179.9° | 180.0° |
| H3 | C14 | C15 | H4 | 2.4° | 0.1° |
| H4 | C15 | C16 | H5 | 0.2° | 0.0° |
| H5 | C16 | C17 | H6 | 0.7° | 0.0° |






