QVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.46Å | |
| O04 | C03 | doub | 1.22Å | 1.18Å | |
| C05 | C03 | sing | 1.48Å | 1.55Å | |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| N07 | C06 | sing | 1.31Å | 1.31Å | Aromatic |
| C08 | N07 | doub | 1.33Å | 1.34Å | Aromatic |
| N09 | C08 | sing | 1.37Å | 1.36Å | Aromatic |
| C10 | N09 | sing | 1.37Å | 1.32Å | Aromatic |
| C11 | C10 | doub | 1.34Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C13 | C11 | sing | 1.46Å | 1.43Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.44Å | Aromatic |
| C03 | N02 | sing | 1.35Å | 1.46Å | |
| C15 | N02 | sing | 1.39Å | 1.46Å | |
| N16 | C15 | doub | 1.31Å | 1.30Å | Aromatic |
| N17 | N16 | sing | 1.28Å | 1.35Å | Aromatic |
| N18 | N17 | doub | 1.29Å | 1.29Å | Aromatic |
| N19 | N18 | sing | 1.41Å | 1.33Å | Aromatic |
| C05 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C08 | C13 | sing | 1.41Å | 1.37Å | Aromatic |
| C15 | N19 | sing | 1.35Å | 1.32Å | Aromatic |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 116.4° | 120.1° |
| C01 | N02 | C15 | 121.1° | 120.0° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| O04 | C03 | C05 | 115.7° | 120.0° |
| O04 | C03 | N02 | 114.4° | 120.0° |
| C03 | C05 | C06 | 111.5° | 120.4° |
| C05 | C03 | N02 | 129.8° | 120.0° |
| C03 | C05 | C14 | 130.2° | 120.5° |
| C05 | C06 | N07 | 121.9° | 121.3° |
| C06 | C05 | C14 | 118.2° | 119.1° |
| C05 | C06 | H061 | 119.0° | 119.3° |
| C06 | N07 | C08 | 121.9° | 121.9° |
| N07 | C06 | H061 | 119.0° | 119.3° |
| N07 | C08 | N09 | 127.9° | 132.9° |
| N07 | C08 | C13 | 121.7° | 120.1° |
| C08 | N09 | C10 | 109.2° | 110.1° |
| N09 | C08 | C13 | 110.3° | 107.0° |
| C08 | N09 | H091 | 125.4° | 125.0° |
| N09 | C10 | C11 | 108.5° | 109.9° |
| N09 | C10 | H101 | 125.8° | 125.0° |
| C10 | N09 | H091 | 125.4° | 124.9° |
| C10 | C11 | C12 | 124.0° | 126.6° |
| C10 | C11 | C13 | 107.6° | 106.8° |
| C11 | C10 | H101 | 125.7° | 125.1° |
| C12 | C11 | C13 | 128.4° | 126.6° |
| C11 | C12 | H123 | 109.5° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.5° |
| C11 | C13 | C14 | 137.9° | 134.2° |
| C11 | C13 | C08 | 104.3° | 106.2° |
| C13 | C14 | C05 | 118.4° | 118.0° |
| C14 | C13 | C08 | 117.8° | 119.6° |
| C13 | C14 | H141 | 120.8° | 121.0° |
| C03 | N02 | C15 | 122.5° | 120.0° |
| N02 | C15 | N16 | 129.5° | 126.4° |
| N02 | C15 | N19 | 128.3° | 126.4° |
| C15 | N16 | N17 | 109.6° | 110.5° |
| N16 | C15 | N19 | 102.1° | 107.1° |
| N16 | N17 | N18 | 110.6° | 110.3° |
| N17 | N18 | N19 | 101.5° | 106.7° |
| N18 | N19 | C15 | 116.0° | 105.3° |
| N18 | N19 | H191 | 122.0° | 127.4° |
| C05 | C14 | H141 | 120.8° | 121.0° |
| C15 | N19 | H191 | 122.0° | 127.3° |
| H123 | C12 | H121 | 109.4° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | O04 | 2.6° | 174.2° |
| C01 | N02 | C03 | C05 | 178.1° | 5.9° |
| C01 | N02 | C03 | C15 | 177.6° | 180.0° |
| C01 | N02 | C15 | N16 | 119.0° | 179.6° |
| C01 | N02 | C15 | N19 | 60.8° | 0.0° |
| N02 | C01 | H012 | H013 | 120.0° | 119.9° |
| N02 | C01 | H012 | H011 | 120.0° | 120.1° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O04 | C03 | C05 | N02 | 175.5° | 180.0° |
| O04 | C03 | C05 | C06 | 63.2° | 34.9° |
| O04 | C03 | N02 | C15 | 179.9° | 5.8° |
| O04 | C03 | C05 | C14 | 113.5° | 145.1° |
| C03 | C05 | C06 | C14 | 177.2° | 180.0° |
| C03 | C05 | C06 | N07 | 178.9° | 180.0° |
| C03 | C05 | C14 | C13 | 178.0° | 180.0° |
| C05 | C03 | N02 | C15 | 4.4° | 174.1° |
| C03 | C05 | C14 | H141 | 2.1° | 0.3° |
| C03 | C05 | C06 | H061 | 1.1° | 0.0° |
| C05 | C06 | N07 | H061 | 180.0° | 179.9° |
| C05 | C06 | N07 | C08 | 1.1° | 0.4° |
| C06 | C05 | C14 | C13 | 1.4° | 0.0° |
| C06 | C05 | C03 | N02 | 112.2° | 145.1° |
| C06 | C05 | C14 | H141 | 178.6° | 179.7° |
| C06 | N07 | C08 | N09 | 179.7° | 179.9° |
| N07 | C06 | C05 | C14 | 1.7° | 0.1° |
| C06 | N07 | C08 | C13 | 0.1° | 0.6° |
| N07 | C08 | N09 | C13 | 179.8° | 179.4° |
| N07 | C08 | N09 | C10 | 180.0° | 179.3° |
| N07 | C08 | C13 | C11 | 180.0° | 179.4° |
| N07 | C08 | C13 | C14 | 0.2° | 0.6° |
| C08 | N07 | C06 | H061 | 178.9° | 179.7° |
| N07 | C08 | N09 | H091 | 0.1° | 0.7° |
| C08 | N09 | C10 | H091 | 180.0° | 180.0° |
| C08 | N09 | C10 | C11 | 0.2° | 0.1° |
| N09 | C08 | C13 | C11 | 0.2° | 0.0° |
| N09 | C08 | C13 | C14 | 180.0° | 180.0° |
| C08 | N09 | C10 | H101 | 179.8° | 180.0° |
| N09 | C10 | C11 | H101 | 180.0° | 179.9° |
| N09 | C10 | C11 | C12 | 179.9° | 180.0° |
| N09 | C10 | C11 | C13 | 0.1° | 0.0° |
| C10 | N09 | C08 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | C13 | 180.0° | 179.9° |
| C10 | C11 | C13 | C14 | 179.8° | 180.0° |
| C10 | C11 | C13 | C08 | 0.1° | 0.0° |
| C10 | C11 | C12 | H123 | 90.0° | 90.0° |
| C10 | C11 | C12 | H121 | 150.0° | 30.1° |
| C10 | C11 | C12 | H122 | 30.0° | 150.0° |
| C11 | C10 | N09 | H091 | 179.8° | 180.0° |
| C12 | C11 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C13 | C08 | 180.0° | 180.0° |
| C11 | C12 | H123 | H121 | 120.0° | 120.0° |
| C11 | C12 | H123 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 120.0° | 120.0° |
| C12 | C11 | C10 | H101 | 0.1° | 0.1° |
| C11 | C13 | C14 | C08 | 179.7° | 180.0° |
| C11 | C13 | C14 | C05 | 179.2° | 179.7° |
| C11 | C13 | C14 | H141 | 0.8° | 0.0° |
| C13 | C11 | C12 | H123 | 90.0° | 90.0° |
| C13 | C11 | C12 | H121 | 30.0° | 150.0° |
| C13 | C11 | C12 | H122 | 150.0° | 30.1° |
| C13 | C11 | C10 | H101 | 179.9° | 179.9° |
| C13 | C14 | C05 | H141 | 180.0° | 179.7° |
| C03 | N02 | C15 | N16 | 63.6° | 0.4° |
| N02 | C03 | C05 | C14 | 71.1° | 34.8° |
| C03 | N02 | C15 | N19 | 116.7° | 180.0° |
| C03 | N02 | C01 | H012 | 180.0° | 94.7° |
| C03 | N02 | C01 | H013 | 60.0° | 25.2° |
| C03 | N02 | C01 | H011 | 60.0° | 145.2° |
| N02 | C15 | N16 | N19 | 179.8° | 179.7° |
| N02 | C15 | N16 | N17 | 178.0° | 180.0° |
| N02 | C15 | N19 | N18 | 179.4° | 179.9° |
| C15 | N02 | C01 | H012 | 2.4° | 85.3° |
| C15 | N02 | C01 | H013 | 117.6° | 154.7° |
| C15 | N02 | C01 | H011 | 122.4° | 34.8° |
| N02 | C15 | N19 | H191 | 0.6° | 0.1° |
| C15 | N16 | N17 | N18 | 3.0° | 0.0° |
| N16 | C15 | N19 | N18 | 0.8° | 0.4° |
| N16 | C15 | N19 | H191 | 179.2° | 179.7° |
| N16 | N17 | N18 | N19 | 2.2° | 0.2° |
| N17 | N16 | C15 | N19 | 2.2° | 0.3° |
| N17 | N18 | N19 | C15 | 0.9° | 0.4° |
| N17 | N18 | N19 | H191 | 179.1° | 179.7° |
| N18 | N19 | C15 | H191 | 180.0° | 179.8° |
| C05 | C14 | C13 | C08 | 0.5° | 0.3° |
| C14 | C05 | C06 | H061 | 178.2° | 180.0° |
| C08 | C13 | C14 | H141 | 179.5° | 180.0° |
| C13 | C08 | N09 | H091 | 179.8° | 180.0° |
| H123 | C12 | H121 | H122 | 120.0° | 120.0° |
| H101 | C10 | N09 | H091 | 0.2° | 0.1° |
| H012 | C01 | H013 | H011 | 119.9° | 120.0° |
