VX0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.61Å | |
| C03 | C02 | sing | 1.53Å | 1.50Å | |
| C06 | C05 | sing | 1.51Å | 1.60Å | |
| N07 | C06 | sing | 1.36Å | 1.43Å | Aromatic |
| N08 | N07 | sing | 1.40Å | 1.32Å | Aromatic |
| C09 | N08 | doub | 1.31Å | 1.34Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.44Å | Aromatic |
| N11 | C10 | sing | 1.41Å | 1.37Å | |
| C12 | N11 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.54Å | 1.64Å | |
| C14 | C13 | sing | 1.55Å | 1.48Å | |
| C15 | C14 | sing | 1.51Å | 1.57Å | |
| O16 | C15 | doub | 1.21Å | 1.20Å | |
| C05 | N04 | sing | 1.48Å | 1.50Å | |
| C17 | N04 | sing | 1.35Å | 1.42Å | |
| O18 | C17 | doub | 1.22Å | 1.29Å | |
| N19 | C17 | sing | 1.35Å | 1.39Å | |
| C20 | N19 | sing | 1.40Å | 1.26Å | |
| C21 | C20 | doub | 1.39Å | 1.46Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.43Å | Aromatic |
| F26 | C24 | sing | 1.35Å | 1.30Å | |
| C24 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| F27 | C23 | sing | 1.35Å | 1.31Å | |
| C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| F28 | C22 | sing | 1.35Å | 1.29Å | |
| N04 | C03 | sing | 1.47Å | 1.54Å | |
| C29 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | N07 | sing | 1.47Å | 1.45Å | |
| C06 | C10 | doub | 1.35Å | 1.42Å | Aromatic |
| N11 | C15 | sing | 1.34Å | 1.40Å | |
| C20 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| N19 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 95.9° | 109.5° |
| C01 | C02 | N07 | 105.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 112.3° | 109.5° |
| C02 | C03 | N04 | 114.7° | 109.3° |
| C02 | C03 | C29 | 112.1° | 109.5° |
| C03 | C02 | N07 | 112.6° | 109.2° |
| C03 | C02 | H4 | 113.9° | 109.6° |
| C02 | C03 | H5 | 106.1° | 109.5° |
| C05 | C06 | N07 | 120.2° | 124.0° |
| C06 | C05 | N04 | 107.5° | 106.9° |
| C05 | C06 | C10 | 134.1° | 128.1° |
| C06 | C05 | H6 | 110.0° | 110.0° |
| C06 | C05 | H7 | 109.9° | 110.0° |
| C06 | N07 | N08 | 111.5° | 107.7° |
| C06 | N07 | C02 | 123.8° | 124.8° |
| N07 | C06 | C10 | 105.7° | 107.9° |
| N07 | N08 | C09 | 107.5° | 108.3° |
| N08 | N07 | C02 | 123.5° | 127.5° |
| N08 | C09 | C10 | 111.2° | 108.4° |
| N08 | C09 | H8 | 124.4° | 125.8° |
| C09 | C10 | N11 | 126.0° | 126.1° |
| C09 | C10 | C06 | 103.9° | 107.7° |
| C10 | C09 | H8 | 124.3° | 125.8° |
| C10 | N11 | C12 | 123.4° | 124.3° |
| N11 | C10 | C06 | 129.7° | 126.2° |
| C10 | N11 | C15 | 125.5° | 124.4° |
| N11 | C12 | C13 | 106.3° | 105.5° |
| C12 | N11 | C15 | 111.0° | 111.3° |
| N11 | C12 | H9 | 110.3° | 110.2° |
| N11 | C12 | H10 | 110.3° | 110.2° |
| C12 | C13 | C14 | 105.3° | 101.8° |
| C13 | C12 | H9 | 110.3° | 110.2° |
| C13 | C12 | H10 | 110.3° | 110.4° |
| C12 | C13 | H11 | 110.5° | 111.0° |
| C12 | C13 | H12 | 110.5° | 111.0° |
| C13 | C14 | C15 | 106.4° | 104.2° |
| C14 | C13 | H11 | 110.5° | 110.9° |
| C14 | C13 | H12 | 110.5° | 111.0° |
| C13 | C14 | H13 | 110.2° | 110.5° |
| C13 | C14 | H14 | 110.2° | 110.5° |
| C14 | C15 | O16 | 125.4° | 124.9° |
| C14 | C15 | N11 | 110.8° | 110.1° |
| C15 | C14 | H13 | 110.2° | 110.5° |
| C15 | C14 | H14 | 110.2° | 110.6° |
| O16 | C15 | N11 | 123.8° | 125.0° |
| C05 | N04 | C17 | 122.5° | 121.0° |
| C05 | N04 | C03 | 109.7° | 118.0° |
| N04 | C05 | H6 | 109.9° | 110.0° |
| N04 | C05 | H7 | 110.0° | 110.0° |
| N04 | C17 | O18 | 127.7° | 120.0° |
| N04 | C17 | N19 | 112.7° | 120.0° |
| C17 | N04 | C03 | 127.7° | 121.0° |
| O18 | C17 | N19 | 119.6° | 120.0° |
| C17 | N19 | C20 | 128.4° | 120.0° |
| C17 | N19 | H20 | 115.8° | 120.1° |
| N19 | C20 | C21 | 119.1° | 120.1° |
| N19 | C20 | C25 | 119.8° | 120.0° |
| C20 | N19 | H20 | 115.8° | 119.9° |
| C20 | C21 | C22 | 118.4° | 120.0° |
| C21 | C20 | C25 | 121.0° | 119.9° |
| C20 | C21 | H15 | 120.8° | 120.0° |
| C21 | C22 | C23 | 121.2° | 120.0° |
| C21 | C22 | F28 | 127.2° | 120.0° |
| C22 | C21 | H15 | 120.8° | 120.0° |
| C25 | C24 | F26 | 123.7° | 120.0° |
| C25 | C24 | C23 | 122.1° | 120.0° |
| C24 | C25 | C20 | 118.7° | 120.0° |
| C24 | C25 | H16 | 120.7° | 120.0° |
| F26 | C24 | C23 | 114.1° | 120.0° |
| C24 | C23 | F27 | 121.5° | 120.0° |
| C24 | C23 | C22 | 118.3° | 120.0° |
| F27 | C23 | C22 | 120.0° | 120.0° |
| C23 | C22 | F28 | 111.6° | 120.0° |
| N04 | C03 | C29 | 111.7° | 109.5° |
| N04 | C03 | H5 | 105.7° | 109.5° |
| C29 | C03 | H5 | 105.7° | 109.5° |
| C03 | C29 | H17 | 109.5° | 109.4° |
| C03 | C29 | H18 | 109.4° | 109.5° |
| C03 | C29 | H19 | 109.5° | 109.5° |
| N07 | C02 | H4 | 114.9° | 109.5° |
| C20 | C25 | H16 | 120.6° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 110.0° |
| H9 | C12 | H10 | 109.4° | 110.2° |
| H11 | C13 | H12 | 109.4° | 110.9° |
| H13 | C14 | H14 | 109.5° | 110.4° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H17 | C29 | H19 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N07 | 109.3° | 119.9° |
| C01 | C02 | C03 | H4 | 117.6° | 120.1° |
| C01 | C02 | N07 | C06 | 90.4° | 101.3° |
| C01 | C02 | N07 | N08 | 76.0° | 78.5° |
| C01 | C02 | C03 | N04 | 69.4° | 73.9° |
| C01 | C02 | C03 | C29 | 59.4° | 46.1° |
| C01 | C02 | N07 | H4 | 124.1° | 120.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 174.4° | 166.2° |
| C03 | C02 | N07 | C06 | 12.8° | 18.6° |
| C03 | C02 | N07 | N08 | 179.3° | 161.6° |
| C02 | C03 | N04 | C05 | 64.3° | 63.8° |
| C02 | C03 | N04 | C17 | 116.0° | 116.1° |
| C02 | C03 | N04 | C29 | 129.0° | 120.0° |
| C02 | C03 | N04 | H5 | 116.5° | 120.0° |
| C02 | C03 | C29 | H5 | 115.2° | 120.1° |
| C03 | C02 | N07 | H4 | 132.6° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 179.7° |
| C03 | C02 | C01 | H2 | 60.0° | 60.3° |
| C03 | C02 | C01 | H3 | 60.0° | 59.8° |
| C02 | C03 | C29 | H17 | 180.0° | 59.9° |
| C02 | C03 | C29 | H18 | 60.0° | 180.0° |
| C02 | C03 | C29 | H19 | 60.0° | 60.0° |
| C05 | C06 | N07 | C10 | 178.1° | 179.9° |
| C05 | C06 | N07 | N08 | 176.4° | 179.6° |
| C05 | C06 | C10 | C09 | 178.0° | 179.7° |
| C05 | C06 | C10 | N11 | 9.1° | 0.4° |
| C06 | C05 | N04 | H6 | 119.7° | 119.3° |
| C06 | C05 | N04 | H7 | 119.7° | 119.4° |
| C06 | C05 | N04 | C17 | 126.1° | 136.9° |
| C06 | C05 | N04 | C03 | 54.2° | 43.1° |
| C05 | C06 | N07 | C02 | 8.5° | 0.6° |
| C06 | C05 | H6 | H7 | 120.9° | 121.3° |
| C06 | N07 | N08 | C02 | 167.9° | 179.9° |
| C06 | N07 | N08 | C09 | 3.1° | 0.3° |
| N07 | C06 | C10 | C09 | 0.4° | 0.2° |
| N07 | C06 | C10 | N11 | 173.2° | 179.7° |
| N07 | C06 | C05 | N04 | 29.6° | 10.7° |
| C06 | N07 | C02 | H4 | 145.5° | 138.6° |
| N07 | C06 | C05 | H6 | 90.1° | 108.7° |
| N07 | C06 | C05 | H7 | 149.3° | 130.0° |
| N07 | N08 | C09 | C10 | 3.4° | 0.2° |
| N08 | N07 | C06 | C10 | 1.7° | 0.3° |
| N08 | N07 | C02 | H4 | 48.1° | 41.6° |
| N07 | N08 | C09 | H8 | 176.6° | 179.9° |
| N08 | C09 | C10 | H8 | 180.0° | 179.9° |
| N08 | C09 | C10 | N11 | 175.5° | 179.9° |
| C09 | N08 | N07 | C02 | 171.0° | 179.5° |
| N08 | C09 | C10 | C06 | 2.3° | 0.0° |
| C09 | C10 | N11 | C06 | 171.5° | 179.9° |
| C09 | C10 | N11 | C12 | 39.1° | 90.0° |
| C09 | C10 | N11 | C15 | 138.4° | 90.1° |
| C10 | N11 | C12 | C15 | 177.8° | 180.0° |
| C10 | N11 | C12 | C13 | 179.2° | 162.9° |
| C10 | N11 | C15 | C14 | 178.6° | 179.6° |
| C10 | N11 | C15 | O16 | 2.9° | 0.5° |
| N11 | C10 | C09 | H8 | 4.5° | 0.2° |
| C10 | N11 | C12 | H9 | 61.3° | 44.0° |
| C10 | N11 | C12 | H10 | 59.7° | 77.9° |
| N11 | C12 | C13 | H9 | 119.5° | 119.0° |
| N11 | C12 | C13 | H10 | 119.5° | 119.1° |
| N11 | C12 | C13 | C14 | 4.0° | 25.4° |
| C12 | N11 | C15 | C14 | 0.8° | 0.4° |
| C12 | N11 | C15 | O16 | 179.3° | 179.6° |
| C12 | N11 | C10 | C06 | 149.4° | 90.0° |
| N11 | C12 | H9 | H10 | 121.4° | 121.9° |
| N11 | C12 | C13 | H11 | 123.4° | 143.5° |
| N11 | C12 | C13 | H12 | 115.3° | 92.7° |
| C12 | C13 | C14 | H11 | 119.4° | 118.1° |
| C12 | C13 | C14 | H12 | 119.4° | 118.2° |
| C12 | C13 | C14 | C15 | 3.5° | 24.8° |
| C13 | C12 | N11 | C15 | 2.9° | 17.0° |
| C13 | C12 | H9 | H10 | 121.5° | 122.1° |
| C12 | C13 | H11 | H12 | 121.9° | 123.8° |
| C12 | C13 | C14 | H13 | 116.0° | 93.8° |
| C12 | C13 | C14 | H14 | 123.0° | 143.6° |
| C13 | C14 | C15 | H13 | 119.5° | 118.6° |
| C13 | C14 | C15 | H14 | 119.5° | 118.8° |
| C13 | C14 | C15 | O16 | 176.5° | 163.8° |
| C13 | C14 | C15 | N11 | 2.0° | 16.3° |
| C14 | C13 | C12 | H9 | 115.5° | 144.4° |
| C14 | C13 | C12 | H10 | 123.6° | 93.6° |
| C14 | C13 | H11 | H12 | 121.9° | 123.8° |
| C13 | C14 | H13 | H14 | 121.4° | 122.6° |
| C14 | C15 | O16 | N11 | 178.3° | 180.0° |
| C15 | C14 | C13 | H11 | 122.9° | 142.9° |
| C15 | C14 | C13 | H12 | 115.9° | 93.4° |
| C15 | C14 | H13 | H14 | 121.4° | 122.7° |
| O16 | C15 | C14 | H13 | 64.0° | 77.6° |
| O16 | C15 | C14 | H14 | 57.0° | 45.0° |
| C05 | N04 | C17 | C03 | 179.6° | 180.0° |
| C05 | N04 | C17 | O18 | 176.9° | 174.6° |
| C05 | N04 | C17 | N19 | 6.1° | 5.4° |
| C05 | N04 | C03 | C29 | 166.7° | 176.1° |
| N04 | C05 | C06 | C10 | 147.8° | 169.5° |
| C05 | N04 | C03 | H5 | 52.2° | 56.1° |
| N04 | C05 | H6 | H7 | 120.9° | 121.2° |
| N04 | C17 | O18 | N19 | 176.8° | 180.0° |
| N04 | C17 | N19 | C20 | 179.1° | 175.4° |
| C17 | N04 | C03 | C29 | 13.0° | 3.9° |
| C17 | N04 | C03 | H5 | 127.5° | 123.9° |
| C17 | N04 | C05 | H6 | 114.2° | 103.8° |
| C17 | N04 | C05 | H7 | 6.4° | 17.5° |
| N04 | C17 | N19 | H20 | 0.9° | 4.6° |
| O18 | C17 | N19 | C20 | 3.6° | 4.6° |
| O18 | C17 | N04 | C03 | 3.5° | 5.4° |
| O18 | C17 | N19 | H20 | 176.4° | 175.5° |
| C17 | N19 | C20 | H20 | 180.0° | 180.0° |
| C17 | N19 | C20 | C21 | 132.3° | 144.5° |
| N19 | C17 | N04 | C03 | 173.6° | 174.6° |
| C17 | N19 | C20 | C25 | 45.5° | 35.9° |
| N19 | C20 | C21 | C25 | 177.8° | 179.6° |
| N19 | C20 | C21 | C22 | 177.7° | 180.0° |
| N19 | C20 | C25 | C24 | 177.6° | 179.8° |
| N19 | C20 | C21 | H15 | 2.3° | 0.1° |
| N19 | C20 | C25 | H16 | 2.4° | 0.1° |
| C20 | C21 | C22 | H15 | 180.0° | 179.9° |
| C21 | C20 | C25 | C24 | 4.6° | 0.6° |
| C20 | C21 | C22 | C23 | 3.5° | 0.0° |
| C20 | C21 | C22 | F28 | 179.0° | 179.9° |
| C21 | C20 | C25 | H16 | 175.4° | 179.8° |
| C21 | C20 | N19 | H20 | 47.7° | 35.5° |
| C21 | C22 | C23 | C24 | 2.8° | 0.0° |
| C21 | C22 | C23 | F27 | 177.6° | 180.0° |
| C21 | C22 | C23 | F28 | 177.8° | 179.9° |
| C22 | C21 | C20 | C25 | 4.5° | 0.3° |
| C25 | C24 | F26 | C23 | 177.8° | 179.8° |
| C25 | C24 | C23 | F27 | 177.7° | 179.7° |
| C25 | C24 | C23 | C22 | 3.0° | 0.3° |
| C24 | C25 | C20 | H16 | 180.0° | 179.6° |
| F26 | C24 | C23 | F27 | 4.4° | 0.1° |
| F26 | C24 | C23 | C22 | 179.1° | 179.9° |
| F26 | C24 | C25 | C20 | 178.4° | 179.6° |
| F26 | C24 | C25 | H16 | 1.6° | 0.0° |
| C24 | C23 | F27 | C22 | 174.6° | 180.0° |
| C24 | C23 | C22 | F28 | 179.3° | 180.0° |
| C23 | C24 | C25 | C20 | 3.9° | 0.6° |
| C23 | C24 | C25 | H16 | 176.1° | 179.8° |
| F27 | C23 | C22 | F28 | 4.6° | 0.1° |
| C23 | C22 | C21 | H15 | 176.5° | 180.0° |
| F28 | C22 | C21 | H15 | 1.0° | 0.0° |
| N04 | C03 | C29 | H5 | 114.5° | 120.0° |
| N04 | C03 | C02 | N07 | 40.0° | 46.0° |
| N04 | C03 | C02 | H4 | 173.1° | 166.0° |
| C03 | N04 | C05 | H6 | 65.5° | 76.2° |
| C03 | N04 | C05 | H7 | 173.9° | 162.5° |
| N04 | C03 | C29 | H17 | 49.7° | 179.8° |
| N04 | C03 | C29 | H18 | 70.3° | 60.2° |
| N04 | C03 | C29 | H19 | 169.7° | 59.9° |
| C29 | C03 | C02 | N07 | 168.7° | 166.0° |
| C29 | C03 | C02 | H4 | 58.1° | 74.0° |
| C03 | C29 | H17 | H18 | 120.0° | 120.0° |
| C03 | C29 | H17 | H19 | 120.0° | 120.0° |
| C03 | C29 | H18 | H19 | 120.0° | 120.0° |
| C02 | N07 | C06 | C10 | 169.6° | 179.5° |
| N07 | C02 | C01 | H1 | 64.6° | 60.0° |
| N07 | C02 | C01 | H2 | 175.4° | 180.0° |
| N07 | C02 | C01 | H3 | 55.4° | 60.0° |
| N07 | C02 | C03 | H5 | 76.3° | 73.9° |
| C06 | C10 | N11 | C15 | 33.0° | 90.0° |
| C10 | C06 | C05 | H6 | 92.5° | 71.2° |
| C10 | C06 | C05 | H7 | 28.1° | 50.1° |
| C06 | C10 | C09 | H8 | 177.7° | 179.8° |
| C15 | N11 | C12 | H9 | 116.6° | 136.0° |
| C15 | N11 | C12 | H10 | 122.5° | 102.1° |
| N11 | C15 | C14 | H13 | 117.5° | 102.4° |
| N11 | C15 | C14 | H14 | 121.5° | 135.0° |
| C25 | C20 | C21 | H15 | 175.6° | 179.7° |
| C25 | C20 | N19 | H20 | 134.5° | 144.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 61.1° | 60.1° |
| H2 | C01 | C02 | H4 | 58.8° | 59.9° |
| H3 | C01 | C02 | H4 | 178.9° | 179.9° |
| H4 | C02 | C03 | H5 | 56.8° | 46.0° |
| H5 | C03 | C29 | H17 | 64.8° | 60.2° |
| H5 | C03 | C29 | H18 | 175.2° | 59.8° |
| H5 | C03 | C29 | H19 | 55.2° | 179.9° |
| H9 | C12 | C13 | H11 | 3.9° | 97.5° |
| H9 | C12 | C13 | H12 | 125.2° | 26.2° |
| H10 | C12 | C13 | H11 | 117.1° | 24.4° |
| H10 | C12 | C13 | H12 | 4.2° | 148.2° |
| H11 | C13 | C14 | H13 | 3.4° | 24.2° |
| H11 | C13 | C14 | H14 | 117.6° | 98.3° |
| H12 | C13 | C14 | H13 | 124.6° | 148.0° |
| H12 | C13 | C14 | H14 | 3.6° | 25.5° |
| H17 | C29 | H18 | H19 | 120.0° | 120.0° |
