WAW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C20 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.35Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C21 | C26 | sing | 1.51Å | 1.52Å | |
| C19 | C05 | sing | 1.53Å | 1.57Å | |
| C26 | N04 | sing | 1.47Å | 1.45Å | |
| C05 | N04 | sing | 1.47Å | 1.47Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| N04 | C03 | sing | 1.39Å | 1.47Å | |
| C06 | N07 | sing | 1.47Å | 1.45Å | |
| N07 | C08 | sing | 1.35Å | 1.45Å | |
| C03 | N27 | doub | 1.33Å | 1.33Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.41Å | Aromatic |
| N27 | C28 | sing | 1.32Å | 1.32Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.37Å | |
| C02 | N30 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | N14 | doub | 1.30Å | 1.33Å | Aromatic |
| C15 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| C08 | O09 | doub | 1.22Å | 1.19Å | |
| C08 | C10 | sing | 1.48Å | 1.54Å | |
| N14 | N13 | sing | 1.40Å | 1.37Å | Aromatic |
| N30 | C29 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| N13 | C12 | sing | 1.37Å | 1.36Å | Aromatic |
| C12 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 119.7° | 119.8° |
| C24 | C23 | C22 | 119.9° | 119.8° |
| C23 | C24 | H241 | 120.1° | 120.1° |
| C24 | C23 | H231 | 120.0° | 120.1° |
| C24 | C25 | C20 | 120.5° | 120.4° |
| C25 | C24 | H241 | 120.1° | 120.1° |
| C24 | C25 | H251 | 119.7° | 119.9° |
| C23 | C22 | C21 | 120.7° | 120.4° |
| C23 | C22 | H221 | 119.6° | 119.8° |
| C22 | C23 | H231 | 120.1° | 120.1° |
| C25 | C20 | C21 | 119.8° | 119.9° |
| C25 | C20 | C19 | 119.5° | 118.5° |
| C20 | C25 | H251 | 119.8° | 119.8° |
| C22 | C21 | C20 | 119.4° | 119.7° |
| C22 | C21 | C26 | 118.5° | 118.4° |
| C21 | C22 | H221 | 119.7° | 119.8° |
| C21 | C20 | C19 | 120.7° | 121.6° |
| C20 | C21 | C26 | 122.1° | 121.9° |
| C20 | C19 | C05 | 110.7° | 110.0° |
| C20 | C19 | H191 | 109.2° | 109.4° |
| C20 | C19 | H192 | 109.2° | 109.4° |
| C21 | C26 | N04 | 116.2° | 110.5° |
| C21 | C26 | H261 | 107.8° | 109.3° |
| C21 | C26 | H262 | 107.8° | 109.3° |
| C19 | C05 | N04 | 112.0° | 108.5° |
| C19 | C05 | C06 | 106.1° | 109.6° |
| C19 | C05 | H051 | 108.9° | 109.8° |
| C05 | C19 | H191 | 109.1° | 109.4° |
| C05 | C19 | H192 | 109.1° | 109.4° |
| C26 | N04 | C05 | 111.2° | 110.2° |
| C26 | N04 | C03 | 121.4° | 111.0° |
| N04 | C26 | H261 | 107.8° | 109.3° |
| N04 | C26 | H262 | 107.8° | 109.3° |
| N04 | C05 | C06 | 110.2° | 109.6° |
| C05 | N04 | C03 | 122.5° | 111.0° |
| N04 | C05 | H051 | 110.2° | 109.6° |
| C05 | C06 | N07 | 113.2° | 109.5° |
| C06 | C05 | H051 | 109.4° | 109.7° |
| C05 | C06 | H061 | 108.6° | 109.5° |
| C05 | C06 | H062 | 108.5° | 109.5° |
| N04 | C03 | N27 | 116.5° | 120.1° |
| N04 | C03 | C02 | 123.7° | 120.1° |
| C06 | N07 | C08 | 119.0° | 119.9° |
| N07 | C06 | H061 | 108.5° | 109.5° |
| N07 | C06 | H062 | 108.5° | 109.5° |
| C06 | N07 | H071 | 120.5° | 120.0° |
| N07 | C08 | O09 | 118.0° | 120.0° |
| N07 | C08 | C10 | 119.4° | 119.9° |
| C08 | N07 | H071 | 120.5° | 120.0° |
| N27 | C03 | C02 | 119.8° | 119.8° |
| C03 | N27 | C28 | 119.8° | 119.9° |
| C03 | C02 | F01 | 123.6° | 120.1° |
| C03 | C02 | N30 | 119.4° | 119.8° |
| N27 | C28 | C29 | 120.6° | 120.2° |
| N27 | C28 | H281 | 119.7° | 119.9° |
| F01 | C02 | N30 | 117.0° | 120.1° |
| C02 | N30 | C29 | 120.5° | 120.0° |
| C28 | C29 | N30 | 119.9° | 120.3° |
| C29 | C28 | H281 | 119.7° | 119.9° |
| C28 | C29 | H291 | 120.0° | 119.9° |
| N14 | C15 | C11 | 108.1° | 108.7° |
| C15 | N14 | N13 | 109.0° | 109.7° |
| N14 | C15 | H151 | 125.9° | 125.7° |
| C15 | C11 | C10 | 133.8° | 133.6° |
| C15 | C11 | C12 | 106.0° | 107.0° |
| C11 | C15 | H151 | 126.0° | 125.6° |
| O09 | C08 | C10 | 122.6° | 120.0° |
| C08 | C10 | C11 | 121.4° | 120.3° |
| C08 | C10 | C18 | 119.6° | 120.3° |
| N14 | N13 | C12 | 108.9° | 108.0° |
| N14 | N13 | H131 | 125.5° | 126.0° |
| N30 | C29 | H291 | 120.0° | 119.8° |
| C10 | C11 | C12 | 120.2° | 119.4° |
| C11 | C10 | C18 | 119.0° | 119.4° |
| C11 | C12 | N13 | 108.0° | 106.6° |
| C11 | C12 | C16 | 120.3° | 119.8° |
| C10 | C18 | C17 | 120.6° | 120.4° |
| C10 | C18 | H181 | 119.7° | 119.8° |
| N13 | C12 | C16 | 131.6° | 133.6° |
| C12 | N13 | H131 | 125.6° | 126.0° |
| C12 | C16 | C17 | 119.6° | 120.2° |
| C12 | C16 | H161 | 120.2° | 119.9° |
| C18 | C17 | C16 | 120.3° | 120.8° |
| C18 | C17 | H171 | 119.9° | 119.6° |
| C17 | C18 | H181 | 119.7° | 119.8° |
| C16 | C17 | H171 | 119.9° | 119.6° |
| C17 | C16 | H161 | 120.2° | 119.9° |
| H261 | C26 | H262 | 109.4° | 109.1° |
| H061 | C06 | H062 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C23 | C24 | C25 | C20 | 0.6° | 0.2° |
| C24 | C23 | C22 | C21 | 0.3° | 0.1° |
| C24 | C23 | C22 | H221 | 179.7° | 180.0° |
| C23 | C24 | C25 | H251 | 179.4° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.1° |
| C24 | C25 | C20 | H251 | 180.0° | 179.8° |
| C24 | C25 | C20 | C21 | 0.8° | 0.1° |
| C24 | C25 | C20 | C19 | 179.8° | 179.9° |
| C25 | C24 | C23 | H231 | 179.9° | 179.9° |
| C23 | C22 | C21 | H221 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.2° |
| C23 | C22 | C21 | C26 | 179.5° | 179.8° |
| C22 | C23 | C24 | H241 | 179.9° | 180.0° |
| C25 | C20 | C21 | C22 | 0.4° | 0.1° |
| C25 | C20 | C21 | C19 | 179.0° | 179.8° |
| C25 | C20 | C21 | C26 | 179.0° | 179.9° |
| C25 | C20 | C19 | C05 | 162.4° | 163.5° |
| C20 | C25 | C24 | H241 | 179.4° | 179.9° |
| C25 | C20 | C19 | H191 | 77.5° | 76.4° |
| C25 | C20 | C19 | H192 | 42.2° | 43.2° |
| C22 | C21 | C20 | C26 | 179.4° | 180.0° |
| C22 | C21 | C20 | C19 | 179.3° | 179.7° |
| C22 | C21 | C26 | N04 | 167.8° | 162.5° |
| C22 | C21 | C26 | H261 | 71.2° | 77.2° |
| C22 | C21 | C26 | H262 | 46.8° | 42.2° |
| C21 | C22 | C23 | H231 | 179.7° | 179.9° |
| C21 | C20 | C19 | C05 | 16.6° | 16.7° |
| C20 | C21 | C26 | N04 | 12.8° | 17.5° |
| C20 | C21 | C22 | H221 | 179.9° | 179.9° |
| C20 | C21 | C26 | H261 | 108.2° | 102.8° |
| C20 | C21 | C26 | H262 | 133.8° | 137.8° |
| C21 | C20 | C19 | H191 | 103.5° | 103.4° |
| C21 | C20 | C19 | H192 | 136.8° | 136.9° |
| C21 | C20 | C25 | H251 | 179.3° | 179.9° |
| C19 | C20 | C21 | C26 | 0.0° | 0.3° |
| C20 | C19 | C05 | H191 | 120.2° | 120.2° |
| C20 | C19 | C05 | H192 | 120.2° | 120.2° |
| C20 | C19 | C05 | N04 | 46.7° | 50.3° |
| C20 | C19 | C05 | C06 | 73.6° | 69.4° |
| C20 | C19 | C05 | H051 | 168.8° | 170.1° |
| C20 | C19 | H191 | H192 | 119.5° | 119.7° |
| C19 | C20 | C25 | H251 | 0.3° | 0.3° |
| C21 | C26 | N04 | H261 | 121.0° | 120.3° |
| C21 | C26 | N04 | H262 | 121.0° | 120.4° |
| C21 | C26 | N04 | C05 | 43.0° | 52.5° |
| C21 | C26 | N04 | C03 | 161.2° | 175.9° |
| C26 | C21 | C22 | H221 | 0.5° | 0.1° |
| C21 | C26 | H261 | H262 | 116.9° | 119.5° |
| C19 | C05 | N04 | C26 | 60.7° | 71.3° |
| C19 | C05 | N04 | C06 | 117.9° | 119.7° |
| C19 | C05 | N04 | H051 | 121.4° | 119.9° |
| C19 | C05 | C06 | H051 | 117.3° | 120.6° |
| C19 | C05 | N04 | C03 | 143.8° | 165.4° |
| C19 | C05 | C06 | N07 | 166.1° | 67.1° |
| C19 | C05 | C06 | H061 | 73.3° | 52.9° |
| C19 | C05 | C06 | H062 | 45.6° | 172.9° |
| C05 | C19 | H191 | H192 | 119.4° | 119.8° |
| C26 | N04 | C05 | C03 | 155.5° | 123.4° |
| C26 | N04 | C05 | C06 | 57.1° | 48.4° |
| C26 | N04 | C03 | N27 | 9.8° | 115.3° |
| C26 | N04 | C03 | C02 | 169.9° | 65.2° |
| N04 | C26 | H261 | H262 | 116.9° | 119.4° |
| C26 | N04 | C05 | H051 | 177.9° | 168.9° |
| N04 | C05 | C06 | H051 | 121.2° | 120.4° |
| N04 | C05 | C06 | N07 | 44.7° | 173.8° |
| C05 | N04 | C03 | N27 | 143.2° | 7.6° |
| C05 | N04 | C03 | C02 | 37.1° | 171.8° |
| C05 | N04 | C26 | H261 | 78.0° | 67.8° |
| C05 | N04 | C26 | H262 | 164.0° | 172.9° |
| N04 | C05 | C06 | H061 | 165.3° | 66.1° |
| N04 | C05 | C06 | H062 | 75.9° | 53.9° |
| N04 | C05 | C19 | H191 | 73.4° | 69.8° |
| N04 | C05 | C19 | H192 | 166.9° | 170.5° |
| C06 | C05 | N04 | C03 | 98.4° | 75.0° |
| C05 | C06 | N07 | H061 | 120.6° | 120.0° |
| C05 | C06 | N07 | H062 | 120.6° | 120.0° |
| C05 | C06 | N07 | C08 | 89.1° | 174.8° |
| C05 | C06 | H061 | H062 | 118.3° | 120.0° |
| C06 | C05 | C19 | H191 | 166.3° | 170.4° |
| C06 | C05 | C19 | H192 | 46.6° | 50.8° |
| C05 | C06 | N07 | H071 | 90.9° | 5.2° |
| N04 | C03 | N27 | C02 | 179.7° | 179.4° |
| N04 | C03 | N27 | C28 | 180.0° | 180.0° |
| N04 | C03 | C02 | F01 | 0.1° | 0.3° |
| N04 | C03 | C02 | N30 | 179.8° | 179.8° |
| C03 | N04 | C26 | H261 | 77.8° | 55.6° |
| C03 | N04 | C26 | H262 | 40.2° | 63.7° |
| C03 | N04 | C05 | H051 | 22.4° | 45.5° |
| C06 | N07 | C08 | H071 | 180.0° | 180.0° |
| C06 | N07 | C08 | O09 | 0.6° | 4.6° |
| C06 | N07 | C08 | C10 | 178.3° | 175.4° |
| N07 | C06 | C05 | H051 | 76.6° | 53.4° |
| N07 | C06 | H061 | H062 | 118.3° | 120.0° |
| N07 | C08 | O09 | C10 | 177.6° | 180.0° |
| N07 | C08 | C10 | C11 | 23.9° | 175.0° |
| N07 | C08 | C10 | C18 | 153.6° | 5.4° |
| C08 | N07 | C06 | H061 | 31.5° | 54.8° |
| C08 | N07 | C06 | H062 | 150.4° | 65.2° |
| N27 | C03 | C02 | F01 | 179.8° | 179.7° |
| N27 | C03 | C02 | N30 | 0.1° | 0.8° |
| C03 | N27 | C28 | C29 | 0.0° | 0.1° |
| C03 | N27 | C28 | H281 | 180.0° | 179.7° |
| C02 | C03 | N27 | C28 | 0.2° | 0.6° |
| C03 | C02 | F01 | N30 | 179.9° | 179.5° |
| C03 | C02 | N30 | C29 | 0.2° | 0.4° |
| N27 | C28 | C29 | H281 | 180.0° | 179.8° |
| N27 | C28 | C29 | N30 | 0.3° | 0.2° |
| N27 | C28 | C29 | H291 | 179.7° | 179.8° |
| F01 | C02 | N30 | C29 | 179.9° | 180.0° |
| C02 | N30 | C29 | C28 | 0.4° | 0.0° |
| C02 | N30 | C29 | H291 | 179.6° | 180.0° |
| C28 | C29 | N30 | H291 | 180.0° | 180.0° |
| N14 | C15 | C11 | H151 | 180.0° | 180.0° |
| N14 | C15 | C11 | C10 | 179.2° | 180.0° |
| N14 | C15 | C11 | C12 | 0.2° | 0.0° |
| C15 | N14 | N13 | C12 | 0.3° | 0.0° |
| C15 | N14 | N13 | H131 | 179.7° | 180.0° |
| C15 | C11 | C10 | C08 | 2.4° | 0.4° |
| C11 | C15 | N14 | N13 | 0.3° | 0.0° |
| C15 | C11 | C10 | C12 | 178.9° | 179.9° |
| C15 | C11 | C10 | C18 | 179.9° | 180.0° |
| C15 | C11 | C12 | N13 | 0.0° | 0.0° |
| C15 | C11 | C12 | C16 | 179.9° | 180.0° |
| O09 | C08 | C10 | C11 | 158.6° | 5.0° |
| O09 | C08 | C10 | C18 | 23.9° | 174.6° |
| O09 | C08 | N07 | H071 | 179.4° | 175.4° |
| C08 | C10 | C11 | C18 | 177.5° | 179.7° |
| C08 | C10 | C11 | C12 | 178.7° | 179.7° |
| C08 | C10 | C18 | C17 | 178.7° | 179.7° |
| C08 | C10 | C18 | H181 | 1.3° | 0.1° |
| C10 | C08 | N07 | H071 | 1.7° | 4.6° |
| N14 | N13 | C12 | C11 | 0.2° | 0.0° |
| N14 | N13 | C12 | H131 | 180.0° | 180.0° |
| N14 | N13 | C12 | C16 | 179.9° | 180.0° |
| N13 | N14 | C15 | H151 | 179.7° | 180.0° |
| N30 | C29 | C28 | H281 | 179.7° | 180.0° |
| C10 | C11 | C12 | N13 | 179.2° | 180.0° |
| C10 | C11 | C12 | C16 | 0.7° | 0.0° |
| C11 | C10 | C18 | C17 | 1.1° | 0.0° |
| C10 | C11 | C15 | H151 | 0.8° | 0.1° |
| C11 | C10 | C18 | H181 | 178.9° | 179.7° |
| C12 | C11 | C10 | C18 | 1.1° | 0.1° |
| C11 | C12 | N13 | C16 | 179.9° | 180.0° |
| C11 | C12 | C16 | C17 | 0.2° | 0.0° |
| C12 | C11 | C15 | H151 | 179.8° | 180.0° |
| C11 | C12 | C16 | H161 | 179.8° | 180.0° |
| C11 | C12 | N13 | H131 | 179.8° | 180.0° |
| C10 | C18 | C17 | H181 | 180.0° | 179.7° |
| C10 | C18 | C17 | C16 | 0.7° | 0.0° |
| C10 | C18 | C17 | H171 | 179.3° | 180.0° |
| N13 | C12 | C16 | C17 | 179.6° | 180.0° |
| N13 | C12 | C16 | H161 | 0.4° | 0.0° |
| C12 | C16 | C17 | C18 | 0.2° | 0.1° |
| C12 | C16 | C17 | H161 | 180.0° | 179.9° |
| C12 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C12 | N13 | H131 | 0.0° | 0.0° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C18 | C17 | C16 | H161 | 179.8° | 180.0° |
| C16 | C17 | C18 | H181 | 179.3° | 179.8° |
| H171 | C17 | C16 | H161 | 0.2° | 0.0° |
| H171 | C17 | C18 | H181 | 0.7° | 0.2° |
| H221 | C22 | C23 | H231 | 0.2° | 0.1° |
| H241 | C24 | C23 | H231 | 0.1° | 0.0° |
| H241 | C24 | C25 | H251 | 0.6° | 0.1° |
| H281 | C28 | C29 | H291 | 0.3° | 0.0° |
| H051 | C05 | C06 | H061 | 44.0° | 173.4° |
| H051 | C05 | C06 | H062 | 162.9° | 66.6° |
| H051 | C05 | C19 | H191 | 48.7° | 50.0° |
| H051 | C05 | C19 | H192 | 71.0° | 69.7° |
| H061 | C06 | N07 | H071 | 148.5° | 125.2° |
| H062 | C06 | N07 | H071 | 29.6° | 114.8° |
