5VG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N28 | C02 | doub | 1.30Å | 1.22Å | |
| C26 | C27 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| N03 | C02 | sing | 1.38Å | 1.46Å | |
| N03 | C04 | sing | 1.46Å | 1.36Å | |
| CL25 | C24 | sing | 1.74Å | 1.71Å | |
| C02 | N01 | sing | 1.37Å | 1.20Å | |
| C24 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | N19 | sing | 1.40Å | 1.44Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| N19 | C17 | sing | 1.35Å | 1.45Å | |
| C05 | C06 | sing | 1.54Å | 1.49Å | |
| C05 | C13 | sing | 1.54Å | 1.49Å | |
| O16 | C15 | doub | 1.21Å | 1.24Å | |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.38Å | |
| C17 | C15 | sing | 1.49Å | 1.52Å | |
| C17 | O18 | doub | 1.21Å | 1.24Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C15 | N14 | sing | 1.35Å | 1.44Å | |
| N14 | C13 | sing | 1.47Å | 1.43Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C07 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.45Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.45Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C00 | sing | 1.51Å | 1.55Å | |
| C00 | N | sing | 1.47Å | 1.43Å | |
| N | C | sing | 1.47Å | 1.41Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C00 | H10 | sing | 1.09Å | 1.10Å | |
| C00 | H11 | sing | 1.09Å | 1.10Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| N03 | H14 | sing | 0.97Å | 1.00Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| N14 | H22 | sing | 0.97Å | 1.00Å | |
| N19 | H23 | sing | 0.97Å | 1.00Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| N28 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N28 | C02 | N03 | 129.2° | 120.0° |
| N28 | C02 | N01 | 115.9° | 120.0° |
| C02 | N28 | H25 | 112.0° | 120.1° |
| C27 | C26 | C24 | 119.3° | 120.1° |
| C26 | C27 | C20 | 120.4° | 120.0° |
| C27 | C26 | H4 | 120.3° | 119.9° |
| C26 | C27 | H24 | 119.8° | 120.0° |
| C26 | C24 | CL25 | 119.0° | 119.9° |
| C26 | C24 | C22 | 120.2° | 120.1° |
| C24 | C26 | H4 | 120.4° | 120.0° |
| C27 | C20 | N19 | 118.5° | 120.0° |
| C27 | C20 | C21 | 120.1° | 119.9° |
| C20 | C27 | H24 | 119.8° | 120.1° |
| C02 | N03 | C04 | 127.6° | 120.0° |
| N03 | C02 | N01 | 114.9° | 120.0° |
| C02 | N03 | H14 | 116.2° | 119.9° |
| N03 | C04 | C05 | 112.6° | 109.5° |
| C04 | N03 | H14 | 116.2° | 120.0° |
| N03 | C04 | H15 | 108.7° | 109.5° |
| N03 | C04 | H16 | 108.7° | 109.5° |
| CL25 | C24 | C22 | 120.8° | 119.9° |
| C02 | N01 | H12 | 120.0° | 120.0° |
| C02 | N01 | H13 | 120.0° | 120.0° |
| C24 | C22 | C21 | 120.1° | 120.0° |
| C24 | C22 | F23 | 120.2° | 120.0° |
| N19 | C20 | C21 | 121.4° | 120.1° |
| C20 | N19 | C17 | 122.7° | 120.0° |
| C20 | N19 | H23 | 118.6° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.0° |
| C20 | C21 | H3 | 120.1° | 120.0° |
| C04 | C05 | C06 | 111.0° | 110.8° |
| C04 | C05 | C13 | 110.5° | 110.8° |
| C05 | C04 | H15 | 108.7° | 109.4° |
| C05 | C04 | H16 | 108.7° | 109.4° |
| C04 | C05 | H17 | 109.6° | 110.7° |
| N19 | C17 | C15 | 118.9° | 120.0° |
| N19 | C17 | O18 | 121.5° | 120.0° |
| C17 | N19 | H23 | 118.7° | 120.0° |
| C06 | C05 | C13 | 106.2° | 102.5° |
| C05 | C06 | C07 | 105.3° | 105.1° |
| C06 | C05 | H17 | 109.8° | 110.8° |
| C05 | C06 | H18 | 110.5° | 110.3° |
| C05 | C06 | H19 | 110.5° | 110.3° |
| C05 | C13 | N14 | 108.6° | 110.4° |
| C05 | C13 | C12 | 105.3° | 105.2° |
| C05 | C13 | H2 | 111.1° | 110.3° |
| C13 | C05 | H17 | 109.8° | 111.0° |
| O16 | C15 | C17 | 120.2° | 120.0° |
| O16 | C15 | N14 | 120.0° | 120.0° |
| C21 | C22 | F23 | 119.7° | 120.0° |
| C22 | C21 | H3 | 120.1° | 120.0° |
| C15 | C17 | O18 | 119.6° | 120.0° |
| C17 | C15 | N14 | 119.8° | 120.0° |
| C06 | C07 | C12 | 108.3° | 109.8° |
| C06 | C07 | C08 | 131.5° | 130.3° |
| C07 | C06 | H18 | 110.5° | 110.3° |
| C07 | C06 | H19 | 110.5° | 110.3° |
| C15 | N14 | C13 | 119.6° | 120.0° |
| C15 | N14 | H22 | 120.2° | 120.0° |
| N14 | C13 | C12 | 109.0° | 110.3° |
| N14 | C13 | H2 | 112.0° | 110.3° |
| C13 | N14 | H22 | 120.2° | 120.0° |
| C13 | C12 | C07 | 108.2° | 109.7° |
| C13 | C12 | C11 | 130.5° | 130.4° |
| C12 | C13 | H2 | 110.7° | 110.3° |
| C12 | C07 | C08 | 120.2° | 119.9° |
| C07 | C12 | C11 | 121.3° | 119.8° |
| C07 | C08 | C09 | 119.0° | 120.2° |
| C07 | C08 | H20 | 120.5° | 119.9° |
| C12 | C11 | C10 | 118.6° | 120.2° |
| C12 | C11 | H21 | 120.7° | 119.9° |
| C08 | C09 | C10 | 120.4° | 119.9° |
| C08 | C09 | C00 | 120.4° | 120.0° |
| C09 | C08 | H20 | 120.5° | 119.9° |
| C11 | C10 | C09 | 120.5° | 119.9° |
| C11 | C10 | H1 | 119.7° | 120.0° |
| C10 | C11 | H21 | 120.7° | 119.9° |
| C10 | C09 | C00 | 119.2° | 120.0° |
| C09 | C10 | H1 | 119.7° | 120.0° |
| C09 | C00 | N | 109.6° | 109.5° |
| C09 | C00 | H10 | 109.5° | 109.5° |
| C09 | C00 | H11 | 109.5° | 109.4° |
| C00 | N | C | 109.1° | 111.0° |
| C00 | N | H5 | 109.5° | 111.0° |
| N | C00 | H10 | 109.4° | 109.5° |
| N | C00 | H11 | 109.4° | 109.5° |
| C | N | H5 | 109.6° | 111.1° |
| N | C | H7 | 109.5° | 109.5° |
| N | C | H8 | 109.4° | 109.5° |
| N | C | H9 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.4° |
| H10 | C00 | H11 | 109.5° | 109.4° |
| H12 | N01 | H13 | 120.1° | 119.9° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H18 | C06 | H19 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N28 | C02 | N03 | N01 | 179.0° | 180.0° |
| N28 | C02 | N03 | C04 | 174.4° | 0.0° |
| N28 | C02 | N01 | H12 | 179.1° | 180.0° |
| N28 | C02 | N01 | H13 | 0.8° | 0.0° |
| N28 | C02 | N03 | H14 | 5.6° | 180.0° |
| C27 | C26 | C24 | H4 | 180.0° | 179.6° |
| C26 | C27 | C20 | H24 | 180.0° | 179.5° |
| C27 | C26 | C24 | CL25 | 180.0° | 179.8° |
| C27 | C26 | C24 | C22 | 0.0° | 0.2° |
| C26 | C27 | C20 | N19 | 179.8° | 179.7° |
| C26 | C27 | C20 | C21 | 0.2° | 0.4° |
| C24 | C26 | C27 | C20 | 0.0° | 0.4° |
| C26 | C24 | CL25 | C22 | 179.9° | 180.0° |
| C26 | C24 | C22 | C21 | 0.0° | 0.0° |
| C26 | C24 | C22 | F23 | 179.9° | 180.0° |
| C24 | C26 | C27 | H24 | 180.0° | 180.0° |
| C27 | C20 | N19 | C21 | 179.9° | 179.8° |
| C27 | C20 | N19 | C17 | 137.4° | 144.7° |
| C27 | C20 | C21 | C22 | 0.3° | 0.2° |
| C27 | C20 | C21 | H3 | 179.7° | 179.7° |
| C20 | C27 | C26 | H4 | 180.0° | 180.0° |
| C27 | C20 | N19 | H23 | 42.6° | 35.3° |
| C02 | N03 | C04 | H14 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 117.6° | 180.0° |
| N03 | C02 | N01 | H12 | 0.0° | 0.0° |
| N03 | C02 | N01 | H13 | 180.0° | 180.0° |
| C02 | N03 | C04 | H15 | 121.9° | 60.0° |
| C02 | N03 | C04 | H16 | 2.8° | 60.0° |
| N03 | C02 | N28 | H25 | 179.0° | 180.0° |
| C04 | N03 | C02 | N01 | 4.6° | 180.0° |
| N03 | C04 | C05 | H15 | 120.4° | 120.0° |
| N03 | C04 | C05 | H16 | 120.4° | 120.0° |
| N03 | C04 | C05 | C06 | 148.1° | 66.4° |
| N03 | C04 | C05 | C13 | 94.4° | 179.4° |
| N03 | C04 | H15 | H16 | 118.6° | 120.0° |
| N03 | C04 | C05 | H17 | 26.7° | 56.9° |
| CL25 | C24 | C22 | C21 | 179.9° | 180.0° |
| CL25 | C24 | C22 | F23 | 0.0° | 0.0° |
| CL25 | C24 | C26 | H4 | 0.0° | 0.2° |
| C02 | N01 | H12 | H13 | 180.0° | 180.0° |
| N01 | C02 | N03 | H14 | 175.4° | 0.0° |
| N01 | C02 | N28 | H25 | 0.0° | 0.0° |
| C24 | C22 | C21 | C20 | 0.2° | 0.0° |
| C24 | C22 | C21 | F23 | 179.9° | 180.0° |
| C24 | C22 | C21 | H3 | 179.8° | 179.9° |
| C22 | C24 | C26 | H4 | 179.9° | 179.8° |
| C20 | N19 | C17 | H23 | 180.0° | 180.0° |
| N19 | C20 | C21 | C22 | 179.8° | 180.0° |
| C20 | N19 | C17 | C15 | 179.4° | 175.3° |
| C20 | N19 | C17 | O18 | 0.8° | 4.6° |
| N19 | C20 | C21 | H3 | 0.3° | 0.1° |
| N19 | C20 | C27 | H24 | 0.1° | 0.2° |
| C21 | C20 | N19 | C17 | 42.7° | 35.2° |
| C20 | C21 | C22 | H3 | 180.0° | 179.9° |
| C20 | C21 | C22 | F23 | 179.9° | 180.0° |
| C21 | C20 | N19 | H23 | 137.3° | 144.9° |
| C21 | C20 | C27 | H24 | 179.8° | 180.0° |
| C04 | C05 | C06 | C13 | 120.1° | 118.2° |
| C04 | C05 | C06 | H17 | 121.3° | 123.2° |
| C04 | C05 | C13 | H17 | 121.0° | 123.4° |
| C04 | C05 | C06 | C07 | 95.0° | 91.9° |
| C04 | C05 | C13 | N14 | 148.2° | 149.2° |
| C04 | C05 | C13 | C12 | 95.2° | 91.9° |
| C04 | C05 | C13 | H2 | 24.6° | 27.0° |
| C05 | C04 | N03 | H14 | 62.4° | 0.0° |
| C05 | C04 | H15 | H16 | 118.6° | 119.9° |
| C04 | C05 | C06 | H18 | 145.7° | 149.2° |
| C04 | C05 | C06 | H19 | 24.3° | 27.0° |
| N19 | C17 | C15 | O16 | 0.3° | 0.0° |
| N19 | C17 | C15 | O18 | 179.8° | 179.9° |
| N19 | C17 | C15 | N14 | 179.7° | 180.0° |
| C06 | C05 | C13 | H17 | 118.6° | 118.4° |
| C05 | C06 | C07 | H18 | 119.3° | 118.8° |
| C05 | C06 | C07 | H19 | 119.3° | 119.0° |
| C06 | C05 | C13 | N14 | 91.3° | 92.6° |
| C06 | C05 | C13 | C12 | 25.2° | 26.3° |
| C05 | C06 | C07 | C12 | 15.4° | 17.1° |
| C05 | C06 | C07 | C08 | 164.3° | 163.1° |
| C06 | C05 | C13 | H2 | 145.0° | 145.2° |
| C06 | C05 | C04 | H15 | 27.7° | 53.6° |
| C06 | C05 | C04 | H16 | 91.5° | 173.6° |
| C05 | C06 | H18 | H19 | 122.0° | 122.2° |
| C13 | C05 | C06 | C07 | 25.1° | 26.3° |
| C05 | C13 | N14 | C15 | 94.2° | 157.8° |
| C05 | C13 | N14 | C12 | 114.2° | 115.8° |
| C05 | C13 | N14 | H2 | 123.1° | 122.2° |
| C05 | C13 | C12 | H2 | 120.1° | 118.9° |
| C05 | C13 | C12 | C07 | 15.8° | 17.2° |
| C05 | C13 | C12 | C11 | 164.1° | 162.8° |
| C13 | C05 | C04 | H15 | 145.2° | 59.4° |
| C13 | C05 | C04 | H16 | 26.0° | 60.6° |
| C13 | C05 | C06 | H18 | 94.2° | 92.6° |
| C13 | C05 | C06 | H19 | 144.4° | 145.2° |
| C05 | C13 | N14 | H22 | 85.8° | 22.2° |
| O16 | C15 | C17 | N14 | 180.0° | 180.0° |
| O16 | C15 | C17 | O18 | 179.9° | 179.9° |
| O16 | C15 | N14 | C13 | 0.3° | 0.0° |
| O16 | C15 | N14 | H22 | 179.7° | 180.0° |
| F23 | C22 | C21 | H3 | 0.1° | 0.1° |
| C17 | C15 | N14 | C13 | 179.7° | 180.0° |
| C17 | C15 | N14 | H22 | 0.3° | 0.0° |
| C15 | C17 | N19 | H23 | 0.6° | 4.6° |
| O18 | C17 | C15 | N14 | 0.1° | 0.1° |
| O18 | C17 | N19 | H23 | 179.2° | 175.4° |
| C06 | C07 | C12 | C13 | 0.3° | 0.0° |
| C06 | C07 | C12 | C08 | 179.8° | 179.8° |
| C06 | C07 | C12 | C11 | 179.7° | 180.0° |
| C06 | C07 | C08 | C09 | 179.8° | 180.0° |
| C07 | C06 | C05 | H17 | 143.7° | 144.8° |
| C07 | C06 | H18 | H19 | 121.9° | 122.2° |
| C06 | C07 | C08 | H20 | 0.2° | 0.1° |
| C15 | N14 | C13 | H22 | 180.0° | 180.0° |
| C15 | N14 | C13 | C12 | 151.6° | 86.5° |
| C15 | N14 | C13 | H2 | 28.8° | 35.6° |
| N14 | C13 | C12 | H2 | 123.6° | 122.1° |
| N14 | C13 | C12 | C07 | 100.5° | 101.8° |
| N14 | C13 | C12 | C11 | 79.5° | 78.2° |
| N14 | C13 | C05 | H17 | 27.2° | 25.7° |
| C13 | C12 | C07 | C11 | 180.0° | 180.0° |
| C13 | C12 | C07 | C08 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C13 | C05 | H17 | 143.8° | 144.7° |
| C13 | C12 | C11 | H21 | 0.2° | 0.1° |
| C12 | C13 | N14 | H22 | 28.4° | 93.5° |
| C12 | C07 | C08 | C09 | 0.1° | 0.2° |
| C07 | C12 | C11 | C10 | 0.2° | 0.0° |
| C07 | C12 | C13 | H2 | 135.9° | 136.1° |
| C12 | C07 | C06 | H18 | 103.9° | 101.7° |
| C12 | C07 | C06 | H19 | 134.7° | 136.1° |
| C12 | C07 | C08 | H20 | 179.9° | 179.6° |
| C07 | C12 | C11 | H21 | 179.8° | 180.0° |
| C08 | C07 | C12 | C11 | 0.1° | 0.3° |
| C07 | C08 | C09 | H20 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.1° | 0.0° |
| C07 | C08 | C09 | C00 | 179.8° | 180.0° |
| C08 | C07 | C06 | H18 | 76.3° | 78.1° |
| C08 | C07 | C06 | H19 | 45.0° | 44.1° |
| C12 | C11 | C10 | H21 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.2° | 0.2° |
| C12 | C11 | C10 | H1 | 179.8° | 179.9° |
| C11 | C12 | C13 | H2 | 44.1° | 43.9° |
| C08 | C09 | C10 | C11 | 0.1° | 0.3° |
| C08 | C09 | C10 | C00 | 179.9° | 180.0° |
| C08 | C09 | C00 | N | 133.7° | 90.0° |
| C08 | C09 | C10 | H1 | 179.9° | 180.0° |
| C08 | C09 | C00 | H10 | 13.7° | 30.0° |
| C08 | C09 | C00 | H11 | 106.3° | 150.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C00 | 180.0° | 179.7° |
| C10 | C09 | C00 | N | 46.2° | 90.0° |
| C10 | C09 | C00 | H10 | 166.2° | 150.0° |
| C10 | C09 | C00 | H11 | 73.8° | 30.0° |
| C10 | C09 | C08 | H20 | 179.9° | 179.9° |
| C09 | C10 | C11 | H21 | 179.8° | 179.7° |
| C09 | C00 | N | H10 | 120.0° | 120.0° |
| C09 | C00 | N | H11 | 120.0° | 120.0° |
| C09 | C00 | N | C | 146.5° | 180.0° |
| C00 | C09 | C10 | H1 | 0.0° | 0.0° |
| C09 | C00 | N | H5 | 26.6° | 56.0° |
| C09 | C00 | H10 | H11 | 120.0° | 119.9° |
| C00 | C09 | C08 | H20 | 0.2° | 0.1° |
| C00 | N | C | H5 | 119.9° | 123.9° |
| C00 | N | C | H7 | 180.0° | 60.0° |
| C00 | N | C | H8 | 60.0° | 60.0° |
| C00 | N | C | H9 | 60.0° | 180.0° |
| N | C00 | H10 | H11 | 120.0° | 120.0° |
| N | C | H7 | H8 | 120.0° | 120.0° |
| N | C | H7 | H9 | 120.0° | 120.0° |
| N | C | H8 | H9 | 120.0° | 120.0° |
| C | N | C00 | H10 | 93.5° | 60.0° |
| C | N | C00 | H11 | 26.5° | 60.0° |
| H1 | C10 | C11 | H21 | 0.2° | 0.0° |
| H2 | C13 | C05 | H17 | 96.4° | 96.4° |
| H2 | C13 | N14 | H22 | 151.2° | 144.4° |
| H4 | C26 | C27 | H24 | 0.0° | 0.4° |
| H5 | N | C | H7 | 60.1° | 176.1° |
| H5 | N | C | H8 | 179.9° | 63.9° |
| H5 | N | C | H9 | 59.9° | 56.0° |
| H5 | N | C00 | H10 | 146.6° | 64.0° |
| H5 | N | C00 | H11 | 93.5° | 176.0° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
| H14 | N03 | C04 | H15 | 58.1° | 120.0° |
| H14 | N03 | C04 | H16 | 177.2° | 120.0° |
| H15 | C04 | C05 | H17 | 93.7° | 176.9° |
| H16 | C04 | C05 | H17 | 147.2° | 63.1° |
| H17 | C05 | C06 | H18 | 24.4° | 26.0° |
| H17 | C05 | C06 | H19 | 97.0° | 96.2° |
