VJK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C6 | sing | 1.40Å | 1.26Å | |
| F | C6 | sing | 1.40Å | 1.26Å | |
| C6 | F1 | sing | 1.40Å | 1.25Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C17 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| N5 | C13 | sing | 1.33Å | 1.36Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | N4 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.40Å | Aromatic |
| N4 | C12 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.47Å | 1.46Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C11 | sing | 1.47Å | 1.49Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.47Å | |
| N | C4 | sing | 1.35Å | 1.33Å | |
| C10 | N2 | doub | 1.33Å | 1.50Å | Aromatic |
| C10 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| O | C4 | doub | 1.21Å | 1.24Å | |
| N2 | C9 | sing | 1.32Å | 1.33Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.53Å | |
| N3 | C7 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C2 | sing | 1.51Å | 1.54Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | N1 | sing | 1.39Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C6 | F | 106.2° | 109.5° |
| F2 | C6 | F1 | 106.9° | 109.5° |
| F2 | C6 | C5 | 111.4° | 109.5° |
| F | C6 | F1 | 105.0° | 109.5° |
| F | C6 | C5 | 113.7° | 109.5° |
| F1 | C6 | C5 | 113.1° | 109.5° |
| C6 | C5 | N | 133.5° | 109.5° |
| C6 | C5 | H6 | 103.2° | 109.5° |
| C6 | C5 | H7 | 103.2° | 109.5° |
| N5 | C17 | C16 | 123.8° | 121.6° |
| C17 | N5 | C13 | 115.8° | 121.6° |
| N5 | C17 | H18 | 118.1° | 119.2° |
| C17 | C16 | C15 | 119.2° | 119.3° |
| C17 | C16 | H17 | 120.4° | 120.3° |
| C16 | C17 | H18 | 118.1° | 119.3° |
| N5 | C13 | N4 | 125.8° | 133.0° |
| N5 | C13 | C14 | 125.1° | 119.8° |
| C16 | C15 | C14 | 119.8° | 118.1° |
| C16 | C15 | H16 | 120.1° | 120.9° |
| C15 | C16 | H17 | 120.4° | 120.3° |
| N4 | C13 | C14 | 108.8° | 107.2° |
| C13 | N4 | C12 | 109.1° | 110.4° |
| C13 | N4 | H19 | 125.5° | 124.8° |
| C13 | C14 | C15 | 116.4° | 119.6° |
| C13 | C14 | C11 | 106.2° | 106.2° |
| N4 | C12 | C11 | 110.2° | 109.8° |
| N4 | C12 | H10 | 124.9° | 125.2° |
| C12 | N4 | H19 | 125.5° | 124.8° |
| C5 | N | C4 | 126.5° | 120.0° |
| N | C5 | H6 | 103.2° | 109.4° |
| N | C5 | H7 | 103.2° | 109.4° |
| C5 | N | H11 | 116.7° | 120.0° |
| C15 | C14 | C11 | 136.6° | 134.3° |
| C14 | C15 | H16 | 120.1° | 121.0° |
| C14 | C11 | C12 | 105.6° | 106.4° |
| C14 | C11 | C10 | 132.1° | 126.8° |
| C12 | C11 | C10 | 122.2° | 126.8° |
| C11 | C12 | H10 | 124.9° | 125.1° |
| C11 | C10 | N2 | 118.1° | 119.2° |
| C11 | C10 | N3 | 116.1° | 119.2° |
| N | C4 | O | 124.8° | 120.0° |
| N | C4 | C2 | 113.1° | 120.0° |
| C4 | N | H11 | 116.7° | 120.0° |
| N2 | C10 | N3 | 125.8° | 121.6° |
| C10 | N2 | C9 | 112.9° | 120.9° |
| C10 | N3 | C7 | 115.9° | 120.6° |
| O | C4 | C2 | 122.0° | 120.0° |
| N2 | C9 | C8 | 124.2° | 119.3° |
| N2 | C9 | H9 | 117.9° | 120.3° |
| C | C1 | C2 | 116.8° | 109.4° |
| C | C1 | H1 | 107.6° | 109.5° |
| C | C1 | H2 | 107.6° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.4° | 109.5° |
| N3 | C7 | C8 | 123.2° | 119.0° |
| N3 | C7 | N1 | 119.0° | 120.4° |
| C4 | C2 | C1 | 111.0° | 109.5° |
| C4 | C2 | N1 | 109.3° | 109.4° |
| C4 | C2 | C3 | 107.5° | 109.4° |
| C9 | C8 | C7 | 118.0° | 118.6° |
| C9 | C8 | H8 | 121.0° | 120.7° |
| C8 | C9 | H9 | 117.9° | 120.4° |
| C8 | C7 | N1 | 117.5° | 120.5° |
| C7 | C8 | H8 | 121.0° | 120.7° |
| C7 | N1 | C2 | 140.2° | 119.9° |
| C7 | N1 | H15 | 101.3° | 120.0° |
| C1 | C2 | N1 | 108.5° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | H1 | 107.6° | 109.4° |
| C2 | C1 | H2 | 107.6° | 109.5° |
| N1 | C2 | C3 | 109.5° | 109.5° |
| C2 | N1 | H15 | 101.3° | 120.1° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.4° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C6 | F | F1 | 113.0° | 120.0° |
| F2 | C6 | F | C5 | 122.8° | 120.0° |
| F2 | C6 | F1 | C5 | 123.0° | 120.0° |
| F2 | C6 | C5 | N | 171.8° | 180.0° |
| F2 | C6 | C5 | H6 | 65.2° | 60.1° |
| F2 | C6 | C5 | H7 | 48.8° | 60.0° |
| F | C6 | F1 | C5 | 124.5° | 120.0° |
| F | C6 | C5 | N | 51.9° | 60.0° |
| F | C6 | C5 | H6 | 174.9° | 60.0° |
| F | C6 | C5 | H7 | 71.1° | 180.0° |
| F1 | C6 | C5 | N | 67.7° | 60.0° |
| F1 | C6 | C5 | H6 | 55.3° | 180.0° |
| F1 | C6 | C5 | H7 | 169.3° | 59.9° |
| C6 | C5 | N | H6 | 123.0° | 120.0° |
| C6 | C5 | N | H7 | 123.0° | 120.0° |
| C6 | C5 | N | C4 | 17.9° | 180.0° |
| C6 | C5 | H6 | H7 | 109.3° | 120.1° |
| C6 | C5 | N | H11 | 162.2° | 0.1° |
| N5 | C17 | C16 | H18 | 180.0° | 179.9° |
| N5 | C17 | C16 | C15 | 1.1° | 0.0° |
| C17 | N5 | C13 | N4 | 172.6° | 179.9° |
| C17 | N5 | C13 | C14 | 0.0° | 0.1° |
| N5 | C17 | C16 | H17 | 178.8° | 179.8° |
| C16 | C17 | N5 | C13 | 1.3° | 0.1° |
| C17 | C16 | C15 | H17 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.4° | 0.0° |
| C17 | C16 | C15 | H16 | 179.6° | 180.0° |
| N5 | C13 | N4 | C14 | 173.6° | 179.9° |
| N5 | C13 | N4 | C12 | 170.8° | 179.9° |
| N5 | C13 | C14 | C15 | 1.4° | 0.0° |
| N5 | C13 | C14 | C11 | 169.8° | 179.9° |
| C13 | N5 | C17 | H18 | 178.7° | 180.0° |
| N5 | C13 | N4 | H19 | 9.3° | 0.0° |
| C16 | C15 | C14 | C13 | 1.5° | 0.0° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | C11 | 166.0° | 179.8° |
| C15 | C16 | C17 | H18 | 178.8° | 179.9° |
| C13 | N4 | C12 | H19 | 180.0° | 180.0° |
| N4 | C13 | C14 | C15 | 175.1° | 180.0° |
| N4 | C13 | C14 | C11 | 3.9° | 0.2° |
| C13 | N4 | C12 | C11 | 0.5° | 0.2° |
| C13 | N4 | C12 | H10 | 179.5° | 179.8° |
| C14 | C13 | N4 | C12 | 2.9° | 0.0° |
| C13 | C14 | C15 | C11 | 167.6° | 179.8° |
| C13 | C14 | C11 | C12 | 3.5° | 0.3° |
| C13 | C14 | C11 | C10 | 172.8° | 180.0° |
| C13 | C14 | C15 | H16 | 178.4° | 180.0° |
| C14 | C13 | N4 | H19 | 177.1° | 180.0° |
| N4 | C12 | C11 | C14 | 1.9° | 0.3° |
| N4 | C12 | C11 | H10 | 180.0° | 180.0° |
| N4 | C12 | C11 | C10 | 175.0° | 180.0° |
| C5 | N | C4 | H11 | 180.0° | 179.9° |
| C5 | N | C4 | O | 72.9° | 0.0° |
| C5 | N | C4 | C2 | 103.5° | 180.0° |
| N | C5 | H6 | H7 | 109.3° | 119.9° |
| C15 | C14 | C11 | C12 | 172.0° | 179.9° |
| C15 | C14 | C11 | C10 | 4.4° | 0.2° |
| C14 | C15 | C16 | H17 | 179.6° | 179.9° |
| C14 | C11 | C12 | C10 | 176.8° | 179.7° |
| C14 | C11 | C10 | N2 | 172.2° | 0.3° |
| C14 | C11 | C10 | N3 | 5.2° | 179.5° |
| C14 | C11 | C12 | H10 | 178.1° | 179.8° |
| C11 | C14 | C15 | H16 | 14.0° | 0.2° |
| C12 | C11 | C10 | N2 | 3.7° | 180.0° |
| C12 | C11 | C10 | N3 | 178.9° | 0.8° |
| C11 | C12 | N4 | H19 | 179.5° | 179.8° |
| C11 | C10 | N2 | N3 | 177.1° | 179.2° |
| C11 | C10 | N2 | C9 | 177.7° | 180.0° |
| C11 | C10 | N3 | C7 | 179.4° | 179.7° |
| C10 | C11 | C12 | H10 | 5.0° | 0.0° |
| N | C4 | O | C2 | 176.0° | 180.0° |
| N | C4 | C2 | C1 | 115.5° | 155.0° |
| N | C4 | C2 | N1 | 4.2° | 34.9° |
| N | C4 | C2 | C3 | 123.0° | 85.0° |
| C4 | N | C5 | H6 | 105.1° | 59.9° |
| C4 | N | C5 | H7 | 140.9° | 60.0° |
| N2 | C10 | N3 | C7 | 2.2° | 0.5° |
| C10 | N2 | C9 | C8 | 1.4° | 0.6° |
| C10 | N2 | C9 | H9 | 178.6° | 179.5° |
| N3 | C10 | N2 | C9 | 0.5° | 0.8° |
| C10 | N3 | C7 | C8 | 2.1° | 0.1° |
| C10 | N3 | C7 | N1 | 170.9° | 179.7° |
| O | C4 | C2 | C1 | 61.0° | 25.0° |
| O | C4 | C2 | N1 | 179.4° | 145.0° |
| O | C4 | C2 | C3 | 60.6° | 95.0° |
| O | C4 | N | H11 | 107.2° | 179.9° |
| N2 | C9 | C8 | H9 | 180.0° | 180.0° |
| N2 | C9 | C8 | C7 | 1.5° | 0.0° |
| N2 | C9 | C8 | H8 | 178.5° | 180.0° |
| C | C1 | C2 | C4 | 18.1° | 65.2° |
| C | C1 | C2 | H1 | 121.1° | 120.0° |
| C | C1 | C2 | H2 | 121.1° | 120.0° |
| C | C1 | C2 | N1 | 138.3° | 54.8° |
| C | C1 | C2 | C3 | 101.4° | 174.9° |
| C | C1 | H1 | H2 | 116.7° | 120.1° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.1° |
| N3 | C7 | C8 | C9 | 0.4° | 0.3° |
| N3 | C7 | C8 | N1 | 173.2° | 179.6° |
| N3 | C7 | N1 | C2 | 15.5° | 174.3° |
| N3 | C7 | C8 | H8 | 179.6° | 179.7° |
| N3 | C7 | N1 | H15 | 108.1° | 5.6° |
| C4 | C2 | N1 | C7 | 90.7° | 175.9° |
| C4 | C2 | C1 | N1 | 120.1° | 120.0° |
| C4 | C2 | C1 | C3 | 119.5° | 120.0° |
| C4 | C2 | N1 | C3 | 117.5° | 119.9° |
| C4 | C2 | C1 | H1 | 139.2° | 174.9° |
| C4 | C2 | C1 | H2 | 102.9° | 54.9° |
| C4 | C2 | C3 | H3 | 180.0° | 170.4° |
| C4 | C2 | C3 | H4 | 60.0° | 50.4° |
| C4 | C2 | C3 | H5 | 60.0° | 69.6° |
| C2 | C4 | N | H11 | 76.5° | 0.1° |
| C4 | C2 | N1 | H15 | 145.7° | 4.1° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | N1 | 172.8° | 180.0° |
| C8 | C7 | N1 | C2 | 171.0° | 6.0° |
| C7 | C8 | C9 | H9 | 178.5° | 180.0° |
| C8 | C7 | N1 | H15 | 65.4° | 174.0° |
| C7 | N1 | C2 | C1 | 30.4° | 55.9° |
| C7 | N1 | C2 | H15 | 123.6° | 179.9° |
| C7 | N1 | C2 | C3 | 151.7° | 64.2° |
| N1 | C7 | C8 | H8 | 7.2° | 0.1° |
| C1 | C2 | N1 | C3 | 121.3° | 120.0° |
| C2 | C1 | H1 | H2 | 116.7° | 120.0° |
| C1 | C2 | C3 | H3 | 58.4° | 69.6° |
| C1 | C2 | C3 | H4 | 178.5° | 170.4° |
| C1 | C2 | C3 | H5 | 61.6° | 50.4° |
| C2 | C1 | C | H12 | 180.0° | 180.0° |
| C2 | C1 | C | H13 | 60.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 60.0° |
| C1 | C2 | N1 | H15 | 93.2° | 124.1° |
| N1 | C2 | C1 | H1 | 100.6° | 65.1° |
| N1 | C2 | C1 | H2 | 17.2° | 174.8° |
| N1 | C2 | C3 | H3 | 61.4° | 50.5° |
| N1 | C2 | C3 | H4 | 58.7° | 69.5° |
| N1 | C2 | C3 | H5 | 178.6° | 170.5° |
| C3 | C2 | C1 | H1 | 19.7° | 54.9° |
| C3 | C2 | C1 | H2 | 137.6° | 65.1° |
| C2 | C3 | H3 | H4 | 120.0° | 120.0° |
| C2 | C3 | H3 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | C2 | N1 | H15 | 28.1° | 115.9° |
| H1 | C1 | C | H12 | 58.9° | 60.0° |
| H1 | C1 | C | H13 | 61.1° | 180.0° |
| H1 | C1 | C | H14 | 178.9° | 59.9° |
| H2 | C1 | C | H12 | 58.9° | 60.0° |
| H2 | C1 | C | H13 | 178.9° | 60.0° |
| H2 | C1 | C | H14 | 61.1° | 180.0° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| H6 | C5 | N | H11 | 74.8° | 119.9° |
| H7 | C5 | N | H11 | 39.2° | 120.1° |
| H8 | C8 | C9 | H9 | 1.5° | 0.0° |
| H10 | C12 | N4 | H19 | 0.6° | 0.1° |
| H12 | C | H13 | H14 | 120.0° | 119.9° |
| H16 | C15 | C16 | H17 | 0.4° | 0.1° |
| H17 | C16 | C17 | H18 | 1.2° | 0.1° |
