WVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C21 | doub | 1.21Å | 1.24Å | |
| C21 | O22 | sing | 1.34Å | 1.24Å | |
| C21 | C18 | sing | 1.51Å | 1.56Å | |
| C17 | C16 | sing | 1.54Å | 1.54Å | |
| C17 | C14 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.54Å | 1.52Å | |
| F19 | C18 | sing | 1.40Å | 1.38Å | |
| C18 | C14 | sing | 1.53Å | 1.60Å | |
| C18 | C20 | sing | 1.54Å | 1.31Å | |
| C14 | C15 | sing | 1.52Å | 1.55Å | |
| C14 | C13 | sing | 1.54Å | 1.57Å | |
| C20 | N12 | sing | 1.48Å | 1.60Å | |
| C13 | N12 | sing | 1.49Å | 1.36Å | |
| N12 | C08 | sing | 1.39Å | 1.50Å | |
| C08 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| C08 | N09 | sing | 1.33Å | 1.31Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| N09 | C10 | doub | 1.32Å | 1.32Å | Aromatic |
| O03 | C02 | sing | 1.43Å | 1.36Å | |
| C02 | C04 | sing | 1.53Å | 1.58Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C04 | N05 | sing | 1.47Å | 1.44Å | |
| C06 | N05 | sing | 1.39Å | 1.41Å | |
| C06 | N11 | doub | 1.33Å | 1.30Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.28Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| O03 | H031 | sing | 0.97Å | 0.95Å | |
| O22 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C21 | O22 | 125.7° | 120.1° |
| O23 | C21 | C18 | 119.0° | 120.0° |
| O22 | C21 | C18 | 115.1° | 120.0° |
| C21 | O22 | H1 | 109.5° | 117.0° |
| C21 | C18 | F19 | 109.1° | 110.4° |
| C21 | C18 | C14 | 107.4° | 110.4° |
| C21 | C18 | C20 | 111.1° | 110.4° |
| C16 | C17 | C14 | 87.9° | 86.7° |
| C17 | C16 | C15 | 92.4° | 87.3° |
| C16 | C17 | H172 | 114.6° | 113.7° |
| C16 | C17 | H171 | 114.5° | 113.6° |
| C17 | C16 | H161 | 113.5° | 113.6° |
| C17 | C16 | H162 | 113.5° | 113.5° |
| C17 | C14 | C18 | 123.9° | 116.2° |
| C17 | C14 | C15 | 91.4° | 88.4° |
| C17 | C14 | C13 | 113.4° | 115.9° |
| C14 | C17 | H172 | 114.6° | 113.7° |
| C14 | C17 | H171 | 114.6° | 113.6° |
| C16 | C15 | C14 | 88.3° | 86.7° |
| C16 | C15 | H151 | 114.5° | 113.7° |
| C16 | C15 | H152 | 114.5° | 113.8° |
| C15 | C16 | H161 | 113.6° | 113.6° |
| C15 | C16 | H162 | 113.5° | 113.6° |
| F19 | C18 | C14 | 114.0° | 110.4° |
| F19 | C18 | C20 | 108.7° | 110.5° |
| C14 | C18 | C20 | 106.6° | 104.8° |
| C18 | C14 | C15 | 113.6° | 116.2° |
| C18 | C14 | C13 | 102.8° | 104.4° |
| C18 | C20 | N12 | 104.7° | 107.0° |
| C18 | C20 | H202 | 110.7° | 110.0° |
| C18 | C20 | H201 | 110.7° | 110.1° |
| C15 | C14 | C13 | 111.8° | 116.0° |
| C14 | C15 | H151 | 114.5° | 113.7° |
| C14 | C15 | H152 | 114.5° | 113.6° |
| C14 | C13 | N12 | 104.9° | 103.1° |
| C14 | C13 | H131 | 110.6° | 110.7° |
| C14 | C13 | H132 | 110.6° | 110.9° |
| C20 | N12 | C13 | 111.1° | 106.1° |
| C20 | N12 | C08 | 113.9° | 111.0° |
| N12 | C20 | H202 | 110.6° | 109.9° |
| N12 | C20 | H201 | 110.7° | 109.9° |
| C13 | N12 | C08 | 121.4° | 111.0° |
| N12 | C13 | H131 | 110.6° | 110.6° |
| N12 | C13 | H132 | 110.6° | 110.7° |
| N12 | C08 | C07 | 122.5° | 120.5° |
| N12 | C08 | N09 | 118.6° | 120.5° |
| C07 | C08 | N09 | 118.9° | 119.0° |
| C08 | C07 | C06 | 117.2° | 118.3° |
| C08 | C07 | H071 | 121.4° | 120.8° |
| C08 | N09 | C10 | 120.9° | 120.9° |
| C07 | C06 | N05 | 119.6° | 120.5° |
| C07 | C06 | N11 | 120.8° | 119.0° |
| C06 | C07 | H071 | 121.4° | 120.9° |
| N09 | C10 | N11 | 121.9° | 121.9° |
| N09 | C10 | H101 | 119.1° | 119.1° |
| O03 | C02 | C04 | 105.9° | 109.5° |
| O03 | C02 | C01 | 109.7° | 109.5° |
| O03 | C02 | H021 | 111.6° | 109.5° |
| C02 | O03 | H031 | 109.5° | 114.0° |
| C04 | C02 | C01 | 112.4° | 109.5° |
| C02 | C04 | N05 | 107.9° | 109.5° |
| C04 | C02 | H021 | 108.5° | 109.4° |
| C02 | C04 | H041 | 109.9° | 109.5° |
| C02 | C04 | H042 | 109.9° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.8° | 109.5° |
| C04 | N05 | C06 | 121.4° | 120.0° |
| N05 | C04 | H041 | 109.8° | 109.4° |
| N05 | C04 | H042 | 109.9° | 109.4° |
| C04 | N05 | H051 | 106.4° | 120.0° |
| N05 | C06 | N11 | 119.6° | 120.5° |
| C06 | N05 | H051 | 106.4° | 120.0° |
| C06 | N11 | C10 | 120.2° | 120.9° |
| N11 | C10 | H101 | 119.0° | 119.0° |
| H131 | C13 | H132 | 109.5° | 110.6° |
| H151 | C15 | H152 | 109.5° | 112.8° |
| H172 | C17 | H171 | 109.4° | 113.0° |
| H202 | C20 | H201 | 109.5° | 109.9° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C21 | O22 | C18 | 173.5° | 180.0° |
| O23 | C21 | C18 | F19 | 3.2° | 130.4° |
| O23 | C21 | C18 | C14 | 127.1° | 107.4° |
| O23 | C21 | C18 | C20 | 116.6° | 8.0° |
| O23 | C21 | O22 | H1 | 0.0° | 0.0° |
| O22 | C21 | C18 | F19 | 177.1° | 49.6° |
| O22 | C21 | C18 | C14 | 58.9° | 72.7° |
| O22 | C21 | C18 | C20 | 57.3° | 172.0° |
| C21 | C18 | C14 | C17 | 40.9° | 10.6° |
| C21 | C18 | F19 | C14 | 120.0° | 122.3° |
| C21 | C18 | F19 | C20 | 121.3° | 122.3° |
| C21 | C18 | C14 | C20 | 119.2° | 118.8° |
| C21 | C18 | C14 | C15 | 149.9° | 91.4° |
| C21 | C18 | C14 | C13 | 89.2° | 139.5° |
| C21 | C18 | C20 | N12 | 85.8° | 116.8° |
| C21 | C18 | C20 | H202 | 154.9° | 2.6° |
| C21 | C18 | C20 | H201 | 33.4° | 123.8° |
| C18 | C21 | O22 | H1 | 173.5° | 180.0° |
| C16 | C17 | C14 | H172 | 116.1° | 114.5° |
| C16 | C17 | C14 | H171 | 116.1° | 114.4° |
| C17 | C16 | C15 | H161 | 117.0° | 114.6° |
| C17 | C16 | C15 | H162 | 117.0° | 114.5° |
| C16 | C17 | C14 | C18 | 119.9° | 143.3° |
| C16 | C17 | C14 | C15 | 0.0° | 24.7° |
| C16 | C17 | C14 | C13 | 114.5° | 93.6° |
| C17 | C16 | C15 | H151 | 116.2° | 90.0° |
| C17 | C16 | C15 | H152 | 116.2° | 138.9° |
| C16 | C17 | H172 | H171 | 130.2° | 131.5° |
| C17 | C16 | H161 | H162 | 128.0° | 131.1° |
| C17 | C14 | C18 | F19 | 80.0° | 132.8° |
| C17 | C14 | C18 | C15 | 108.9° | 102.0° |
| C17 | C14 | C18 | C13 | 130.1° | 128.9° |
| C17 | C14 | C18 | C20 | 160.1° | 108.2° |
| C17 | C14 | C15 | C13 | 116.0° | 118.2° |
| C17 | C14 | C13 | N12 | 150.6° | 93.2° |
| C17 | C14 | C13 | H131 | 31.3° | 148.4° |
| C17 | C14 | C13 | H132 | 90.2° | 25.3° |
| C17 | C14 | C15 | H151 | 116.2° | 89.8° |
| C17 | C14 | C15 | H152 | 116.2° | 139.3° |
| C14 | C17 | H172 | H171 | 130.3° | 131.4° |
| C14 | C17 | C16 | H161 | 117.0° | 139.0° |
| C14 | C17 | C16 | H162 | 117.0° | 90.1° |
| C16 | C15 | C14 | C18 | 128.3° | 143.2° |
| C16 | C15 | C14 | H151 | 116.2° | 114.5° |
| C16 | C15 | C14 | H152 | 116.2° | 114.6° |
| C16 | C15 | C14 | C13 | 116.0° | 93.5° |
| C16 | C15 | H151 | H152 | 130.1° | 131.5° |
| C15 | C16 | C17 | H172 | 116.2° | 138.9° |
| C15 | C16 | C17 | H171 | 116.2° | 89.9° |
| C15 | C16 | H161 | H162 | 128.1° | 131.2° |
| F19 | C18 | C14 | C20 | 119.9° | 118.9° |
| F19 | C18 | C14 | C15 | 29.0° | 30.9° |
| F19 | C18 | C14 | C13 | 149.9° | 98.2° |
| F19 | C18 | C20 | N12 | 154.1° | 120.9° |
| F19 | C18 | C20 | H202 | 34.9° | 119.8° |
| F19 | C18 | C20 | H201 | 86.6° | 1.5° |
| C18 | C14 | C15 | C13 | 115.8° | 123.2° |
| C14 | C18 | C20 | N12 | 30.9° | 2.0° |
| C18 | C14 | C13 | N12 | 14.4° | 35.9° |
| C18 | C14 | C13 | H131 | 104.9° | 82.5° |
| C18 | C14 | C13 | H132 | 133.6° | 154.4° |
| C18 | C14 | C15 | H151 | 115.5° | 28.7° |
| C18 | C14 | C15 | H152 | 12.0° | 102.2° |
| C18 | C14 | C17 | H172 | 3.7° | 102.2° |
| C18 | C14 | C17 | H171 | 124.0° | 28.9° |
| C14 | C18 | C20 | H202 | 88.3° | 121.4° |
| C14 | C18 | C20 | H201 | 150.1° | 117.4° |
| C20 | C18 | C14 | C15 | 90.9° | 149.8° |
| C20 | C18 | C14 | C13 | 30.0° | 20.7° |
| C18 | C20 | N12 | H202 | 119.2° | 119.4° |
| C18 | C20 | N12 | H201 | 119.2° | 119.5° |
| C18 | C20 | N12 | C13 | 22.9° | 24.9° |
| C18 | C20 | N12 | C08 | 164.3° | 145.7° |
| C18 | C20 | H202 | H201 | 122.2° | 121.3° |
| C15 | C14 | C13 | N12 | 107.8° | 165.1° |
| C15 | C14 | C13 | H131 | 132.9° | 46.7° |
| C15 | C14 | C13 | H132 | 11.4° | 76.4° |
| C14 | C15 | H151 | H152 | 130.0° | 131.3° |
| C15 | C14 | C17 | H172 | 116.1° | 139.2° |
| C15 | C14 | C17 | H171 | 116.1° | 89.7° |
| C14 | C15 | C16 | H161 | 117.0° | 139.1° |
| C14 | C15 | C16 | H162 | 117.0° | 90.1° |
| C14 | C13 | N12 | C20 | 2.8° | 37.7° |
| C14 | C13 | N12 | H131 | 119.3° | 118.4° |
| C14 | C13 | N12 | H132 | 119.2° | 118.6° |
| C14 | C13 | N12 | C08 | 140.9° | 158.4° |
| C14 | C13 | H131 | H132 | 122.1° | 123.3° |
| C13 | C14 | C15 | H151 | 0.3° | 152.0° |
| C13 | C14 | C15 | H152 | 127.8° | 21.0° |
| C13 | C14 | C17 | H172 | 129.4° | 20.9° |
| C13 | C14 | C17 | H171 | 1.6° | 152.0° |
| C20 | N12 | C13 | C08 | 138.1° | 120.7° |
| C20 | N12 | C08 | C07 | 17.2° | 62.3° |
| C20 | N12 | C08 | N09 | 163.9° | 116.9° |
| C20 | N12 | C13 | H131 | 122.1° | 80.6° |
| C20 | N12 | C13 | H132 | 116.5° | 156.4° |
| N12 | C20 | H202 | H201 | 122.2° | 121.1° |
| C13 | N12 | C08 | C07 | 154.2° | 180.0° |
| C13 | N12 | C08 | N09 | 26.9° | 0.9° |
| N12 | C13 | H131 | H132 | 122.1° | 123.0° |
| C13 | N12 | C20 | H202 | 96.3° | 144.4° |
| C13 | N12 | C20 | H201 | 142.2° | 94.6° |
| N12 | C08 | C07 | N09 | 178.9° | 179.1° |
| N12 | C08 | C07 | C06 | 179.6° | 180.0° |
| N12 | C08 | N09 | C10 | 179.2° | 179.7° |
| C08 | N12 | C13 | H131 | 99.9° | 40.1° |
| C08 | N12 | C13 | H132 | 21.6° | 82.9° |
| C08 | N12 | C20 | H202 | 45.1° | 94.9° |
| C08 | N12 | C20 | H201 | 76.4° | 26.1° |
| N12 | C08 | C07 | H071 | 0.4° | 0.6° |
| C08 | C07 | C06 | H071 | 180.0° | 179.4° |
| C07 | C08 | N09 | C10 | 0.3° | 0.6° |
| C08 | C07 | C06 | N05 | 177.5° | 179.4° |
| C08 | C07 | C06 | N11 | 0.5° | 0.5° |
| N09 | C08 | C07 | C06 | 1.6° | 0.8° |
| C08 | N09 | C10 | N11 | 2.2° | 0.0° |
| C08 | N09 | C10 | H101 | 177.8° | 179.7° |
| N09 | C08 | C07 | H071 | 178.5° | 179.7° |
| C07 | C06 | N05 | C04 | 14.9° | 0.0° |
| C07 | C06 | N05 | N11 | 178.0° | 180.0° |
| C07 | C06 | N11 | C10 | 1.9° | 0.1° |
| C07 | C06 | N05 | H051 | 136.6° | 180.0° |
| N09 | C10 | N11 | C06 | 3.4° | 0.4° |
| N09 | C10 | N11 | H101 | 180.0° | 179.6° |
| O03 | C02 | C04 | C01 | 119.8° | 120.0° |
| O03 | C02 | C04 | H021 | 119.9° | 120.0° |
| O03 | C02 | C01 | H021 | 122.3° | 120.0° |
| O03 | C02 | C04 | N05 | 171.8° | 60.0° |
| O03 | C02 | C01 | H011 | 180.0° | 60.1° |
| O03 | C02 | C01 | H012 | 60.0° | 180.0° |
| O03 | C02 | C01 | H013 | 60.0° | 60.0° |
| O03 | C02 | C04 | H041 | 68.5° | 60.0° |
| O03 | C02 | C04 | H042 | 52.0° | 180.0° |
| C04 | C02 | C01 | H021 | 120.2° | 120.0° |
| C02 | C04 | N05 | H041 | 119.8° | 120.0° |
| C02 | C04 | N05 | H042 | 119.8° | 120.1° |
| C02 | C04 | N05 | C06 | 106.6° | 180.0° |
| C04 | C02 | C01 | H011 | 62.5° | 179.9° |
| C04 | C02 | C01 | H012 | 57.5° | 60.0° |
| C04 | C02 | C01 | H013 | 177.5° | 60.0° |
| C02 | C04 | H041 | H042 | 120.7° | 120.1° |
| C02 | C04 | N05 | H051 | 131.7° | 0.0° |
| C04 | C02 | O03 | H031 | 180.0° | 180.0° |
| C01 | C02 | C04 | N05 | 52.0° | 180.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C04 | H041 | 171.8° | 60.0° |
| C01 | C02 | C04 | H042 | 67.7° | 60.0° |
| C01 | C02 | O03 | H031 | 58.5° | 60.0° |
| C04 | N05 | C06 | H051 | 121.7° | 180.0° |
| C04 | N05 | C06 | N11 | 163.1° | 180.0° |
| N05 | C04 | C02 | H021 | 68.3° | 60.0° |
| N05 | C04 | H041 | H042 | 120.7° | 119.9° |
| N05 | C06 | N11 | C10 | 179.9° | 180.0° |
| C06 | N05 | C04 | H041 | 13.2° | 60.0° |
| C06 | N05 | C04 | H042 | 133.6° | 60.0° |
| N05 | C06 | C07 | H071 | 2.5° | 0.0° |
| C06 | N11 | C10 | H101 | 176.7° | 180.0° |
| N11 | C06 | C07 | H071 | 179.5° | 180.0° |
| N11 | C06 | N05 | H051 | 41.4° | 0.0° |
| H151 | C15 | C16 | H161 | 0.8° | 24.6° |
| H151 | C15 | C16 | H162 | 126.8° | 155.4° |
| H152 | C15 | C16 | H161 | 126.8° | 106.5° |
| H152 | C15 | C16 | H162 | 0.8° | 24.4° |
| H172 | C17 | C16 | H161 | 126.8° | 106.5° |
| H172 | C17 | C16 | H162 | 0.9° | 24.3° |
| H171 | C17 | C16 | H161 | 0.9° | 24.7° |
| H171 | C17 | C16 | H162 | 126.8° | 155.5° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H011 | C01 | C02 | H021 | 57.7° | 59.9° |
| H012 | C01 | C02 | H021 | 177.7° | 60.0° |
| H013 | C01 | C02 | H021 | 62.4° | 179.9° |
| H021 | C02 | C04 | H041 | 51.4° | 180.0° |
| H021 | C02 | C04 | H042 | 171.9° | 60.0° |
| H021 | C02 | O03 | H031 | 62.2° | 60.0° |
| H041 | C04 | N05 | H051 | 108.5° | 120.0° |
| H042 | C04 | N05 | H051 | 12.0° | 120.0° |
