WPR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | N22 | sing | 1.46Å | 1.48Å | |
| N21 | N22 | sing | 1.40Å | 1.38Å | Aromatic |
| N21 | C19 | doub | 1.31Å | 1.35Å | Aromatic |
| N22 | C02 | sing | 1.35Å | 1.33Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C03 | sing | 1.41Å | 1.40Å | Aromatic |
| C02 | C03 | doub | 1.36Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C03 | C04 | sing | 1.48Å | 1.56Å | |
| C04 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | N06 | sing | 1.32Å | 1.34Å | Aromatic |
| N15 | C16 | sing | 1.36Å | 1.34Å | Aromatic |
| N15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | N17 | doub | 1.30Å | 1.35Å | Aromatic |
| N06 | C07 | doub | 1.32Å | 1.33Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.48Å | 1.54Å | |
| C14 | C09 | sing | 1.40Å | 1.44Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.37Å | Aromatic |
| N17 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.33Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | C11 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 60.1° | 60.0° |
| C25 | C24 | C23 | 116.4° | 117.5° |
| C25 | C24 | C26 | 60.0° | 60.0° |
| C25 | C24 | H241 | 117.9° | 117.5° |
| C24 | C25 | H252 | 120.0° | 117.6° |
| C24 | C25 | H251 | 120.0° | 117.5° |
| C25 | C26 | C24 | 59.9° | 60.0° |
| C25 | C26 | H262 | 120.0° | 117.5° |
| C25 | C26 | H261 | 120.0° | 117.5° |
| C26 | C25 | H252 | 120.0° | 117.5° |
| C26 | C25 | H251 | 120.0° | 117.5° |
| C23 | C24 | C26 | 114.4° | 117.5° |
| C24 | C23 | N22 | 106.8° | 109.5° |
| C23 | C24 | H241 | 117.6° | 115.6° |
| C24 | C23 | H232 | 110.2° | 109.5° |
| C24 | C23 | H231 | 110.1° | 109.4° |
| C26 | C24 | H241 | 117.9° | 117.5° |
| C24 | C26 | H262 | 120.0° | 117.5° |
| C24 | C26 | H261 | 120.0° | 117.5° |
| C23 | N22 | N21 | 123.6° | 125.9° |
| C23 | N22 | C02 | 125.9° | 125.9° |
| N22 | C23 | H232 | 110.1° | 109.5° |
| N22 | C23 | H231 | 110.1° | 109.5° |
| N22 | N21 | C19 | 107.3° | 108.5° |
| N21 | N22 | C02 | 110.4° | 108.2° |
| N21 | C19 | C20 | 125.0° | 125.9° |
| N21 | C19 | C03 | 108.2° | 108.1° |
| N22 | C02 | C03 | 107.6° | 107.6° |
| N22 | C02 | C01 | 125.3° | 126.2° |
| C20 | C19 | C03 | 126.8° | 125.9° |
| C19 | C20 | H202 | 109.5° | 109.4° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.5° |
| C19 | C03 | C02 | 106.6° | 107.5° |
| C19 | C03 | C04 | 127.5° | 126.2° |
| C03 | C02 | C01 | 127.1° | 126.2° |
| C02 | C03 | C04 | 125.9° | 126.3° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C03 | C04 | C18 | 119.1° | 120.5° |
| C03 | C04 | C05 | 122.4° | 120.5° |
| C18 | C04 | C05 | 118.4° | 119.1° |
| C04 | C18 | C08 | 119.6° | 118.2° |
| C04 | C18 | H181 | 120.2° | 121.0° |
| C04 | C05 | N06 | 120.0° | 120.9° |
| C04 | C05 | H051 | 120.0° | 119.6° |
| C18 | C08 | C07 | 118.2° | 119.0° |
| C18 | C08 | C09 | 117.4° | 120.5° |
| C08 | C18 | H181 | 120.2° | 120.8° |
| C05 | N06 | C07 | 122.9° | 122.0° |
| N06 | C05 | H051 | 120.0° | 119.6° |
| C16 | N15 | C14 | 108.8° | 107.2° |
| N15 | C16 | N17 | 108.7° | 110.1° |
| N15 | C16 | H161 | 125.7° | 125.0° |
| C16 | N15 | H151 | 125.6° | 126.4° |
| N15 | C14 | C09 | 134.6° | 134.4° |
| N15 | C14 | C13 | 107.0° | 106.3° |
| C14 | N15 | H151 | 125.6° | 126.4° |
| C16 | N17 | C13 | 108.1° | 109.7° |
| N17 | C16 | H161 | 125.6° | 124.9° |
| N06 | C07 | C08 | 120.5° | 120.9° |
| N06 | C07 | H071 | 119.7° | 119.6° |
| C07 | C08 | C09 | 123.9° | 120.5° |
| C08 | C07 | H071 | 119.8° | 119.5° |
| C08 | C09 | C14 | 121.8° | 121.0° |
| C08 | C09 | C10 | 120.0° | 121.0° |
| C09 | C14 | C13 | 118.3° | 119.3° |
| C14 | C09 | C10 | 118.1° | 118.0° |
| C14 | C13 | N17 | 107.4° | 106.7° |
| C14 | C13 | N12 | 121.2° | 120.0° |
| N17 | C13 | N12 | 131.4° | 133.2° |
| C09 | C10 | C11 | 120.0° | 119.3° |
| C09 | C10 | H101 | 120.0° | 120.4° |
| C13 | N12 | C11 | 121.4° | 121.9° |
| C10 | C11 | N12 | 121.0° | 121.5° |
| C11 | C10 | H101 | 120.0° | 120.3° |
| C10 | C11 | H111 | 119.5° | 119.2° |
| N12 | C11 | H111 | 119.5° | 119.2° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 115.6° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H252 | 109.5° | 107.5° |
| C24 | C25 | C26 | H251 | 109.5° | 107.5° |
| C25 | C24 | C23 | C26 | 67.1° | 68.6° |
| C25 | C24 | C23 | H241 | 148.2° | 145.7° |
| C25 | C24 | C26 | H241 | 107.8° | 107.5° |
| C25 | C24 | C23 | N22 | 142.2° | 116.4° |
| C24 | C25 | C26 | H262 | 109.4° | 107.4° |
| C24 | C25 | C26 | H261 | 109.5° | 107.5° |
| C25 | C24 | C23 | H232 | 98.2° | 3.6° |
| C25 | C24 | C23 | H231 | 22.6° | 123.6° |
| C24 | C25 | H252 | H251 | 144.6° | 145.7° |
| C25 | C26 | H262 | H261 | 144.8° | 145.8° |
| C26 | C25 | H252 | H251 | 144.7° | 145.6° |
| C23 | C24 | C26 | H241 | 144.6° | 145.0° |
| C24 | C23 | N22 | H232 | 119.6° | 120.0° |
| C24 | C23 | N22 | H231 | 119.6° | 120.0° |
| C24 | C23 | N22 | N21 | 58.8° | 90.0° |
| C24 | C23 | N22 | C02 | 119.3° | 90.4° |
| C23 | C24 | C26 | H262 | 1.8° | 145.0° |
| C23 | C24 | C26 | H261 | 142.9° | 0.0° |
| C24 | C23 | H232 | H231 | 121.2° | 120.0° |
| C23 | C24 | C25 | H252 | 5.3° | 0.0° |
| C23 | C24 | C25 | H251 | 146.2° | 145.0° |
| C26 | C24 | C23 | N22 | 75.1° | 175.0° |
| C24 | C26 | H262 | H261 | 144.8° | 145.6° |
| C26 | C24 | C23 | H232 | 165.4° | 65.0° |
| C26 | C24 | C23 | H231 | 44.5° | 55.0° |
| C23 | N22 | N21 | C02 | 178.4° | 179.7° |
| C23 | N22 | N21 | C19 | 179.3° | 180.0° |
| C23 | N22 | C02 | C03 | 179.7° | 180.0° |
| C23 | N22 | C02 | C01 | 1.4° | 0.2° |
| N22 | C23 | C24 | H241 | 69.6° | 29.3° |
| N22 | C23 | H232 | H231 | 121.2° | 120.0° |
| N22 | N21 | C19 | C20 | 179.7° | 179.8° |
| N22 | N21 | C19 | C03 | 0.2° | 0.2° |
| N21 | N22 | C02 | C03 | 1.3° | 0.4° |
| N21 | N22 | C02 | C01 | 179.7° | 179.9° |
| N21 | N22 | C23 | H232 | 60.8° | 30.0° |
| N21 | N22 | C23 | H231 | 178.4° | 150.0° |
| C19 | N21 | N22 | C02 | 0.9° | 0.4° |
| N21 | C19 | C20 | C03 | 179.9° | 179.9° |
| N21 | C19 | C03 | C02 | 0.6° | 0.0° |
| N21 | C19 | C03 | C04 | 178.4° | 180.0° |
| N21 | C19 | C20 | H202 | 0.0° | 90.0° |
| N21 | C19 | C20 | H201 | 120.0° | 29.9° |
| N21 | C19 | C20 | H203 | 120.0° | 149.9° |
| N22 | C02 | C03 | C19 | 1.1° | 0.2° |
| N22 | C02 | C03 | C01 | 178.9° | 179.7° |
| N22 | C02 | C03 | C04 | 179.0° | 179.8° |
| N22 | C02 | C01 | H012 | 90.6° | 90.3° |
| N22 | C02 | C01 | H011 | 149.4° | 29.7° |
| N22 | C02 | C01 | H013 | 29.4° | 149.8° |
| C02 | N22 | C23 | H232 | 121.1° | 149.6° |
| C02 | N22 | C23 | H231 | 0.3° | 29.6° |
| C20 | C19 | C03 | C02 | 179.5° | 179.9° |
| C20 | C19 | C03 | C04 | 1.7° | 0.0° |
| C19 | C20 | H202 | H201 | 120.0° | 119.9° |
| C19 | C20 | H202 | H203 | 120.0° | 120.0° |
| C19 | C20 | H201 | H203 | 120.0° | 120.0° |
| C19 | C03 | C02 | C04 | 177.9° | 180.0° |
| C19 | C03 | C02 | C01 | 179.9° | 180.0° |
| C19 | C03 | C04 | C18 | 72.5° | 65.0° |
| C19 | C03 | C04 | C05 | 107.3° | 115.3° |
| C03 | C19 | C20 | H202 | 179.9° | 90.0° |
| C03 | C19 | C20 | H201 | 59.9° | 150.1° |
| C03 | C19 | C20 | H203 | 60.1° | 30.0° |
| C02 | C03 | C04 | C18 | 104.9° | 115.0° |
| C02 | C03 | C04 | C05 | 75.3° | 64.6° |
| C03 | C02 | C01 | H012 | 90.7° | 90.0° |
| C03 | C02 | C01 | H011 | 29.4° | 150.0° |
| C03 | C02 | C01 | H013 | 149.4° | 29.9° |
| C01 | C02 | C03 | C04 | 2.1° | 0.1° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C03 | C04 | C18 | C05 | 179.8° | 179.7° |
| C03 | C04 | C18 | C08 | 176.5° | 179.9° |
| C03 | C04 | C05 | N06 | 179.7° | 180.0° |
| C03 | C04 | C05 | H051 | 0.3° | 0.1° |
| C03 | C04 | C18 | H181 | 3.5° | 0.0° |
| C04 | C18 | C08 | H181 | 180.0° | 179.9° |
| C18 | C04 | C05 | N06 | 0.6° | 0.3° |
| C04 | C18 | C08 | C07 | 6.4° | 0.0° |
| C04 | C18 | C08 | C09 | 178.9° | 180.0° |
| C18 | C04 | C05 | H051 | 179.4° | 179.8° |
| C05 | C04 | C18 | C08 | 3.7° | 0.3° |
| C04 | C05 | N06 | H051 | 180.0° | 179.9° |
| C04 | C05 | N06 | C07 | 0.1° | 0.1° |
| C05 | C04 | C18 | H181 | 176.3° | 179.7° |
| C18 | C08 | C07 | N06 | 6.0° | 0.3° |
| C18 | C08 | C07 | C09 | 172.0° | 180.0° |
| C18 | C08 | C09 | C14 | 41.0° | 130.0° |
| C18 | C08 | C09 | C10 | 137.4° | 50.0° |
| C18 | C08 | C07 | H071 | 174.0° | 180.0° |
| C05 | N06 | C07 | C08 | 2.9° | 0.2° |
| C05 | N06 | C07 | H071 | 177.1° | 180.0° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| N15 | C16 | N17 | H161 | 180.0° | 179.8° |
| C16 | N15 | C14 | C09 | 178.8° | 180.0° |
| C16 | N15 | C14 | C13 | 0.8° | 0.0° |
| N15 | C16 | N17 | C13 | 1.0° | 0.2° |
| C14 | N15 | C16 | N17 | 1.2° | 0.1° |
| N15 | C14 | C09 | C08 | 3.1° | 0.0° |
| N15 | C14 | C09 | C13 | 179.5° | 180.0° |
| N15 | C14 | C13 | N17 | 0.2° | 0.1° |
| N15 | C14 | C09 | C10 | 178.5° | 180.0° |
| N15 | C14 | C13 | N12 | 179.0° | 179.8° |
| C14 | N15 | C16 | H161 | 178.8° | 179.9° |
| C16 | N17 | C13 | C14 | 0.5° | 0.2° |
| C16 | N17 | C13 | N12 | 179.6° | 179.8° |
| N17 | C16 | N15 | H151 | 178.9° | 179.9° |
| N06 | C07 | C08 | H071 | 180.0° | 179.8° |
| N06 | C07 | C08 | C09 | 177.9° | 179.8° |
| C07 | N06 | C05 | H051 | 179.9° | 180.0° |
| C07 | C08 | C09 | C14 | 147.0° | 49.9° |
| C07 | C08 | C09 | C10 | 34.7° | 130.0° |
| C07 | C08 | C18 | H181 | 173.7° | 180.0° |
| C08 | C09 | C14 | C10 | 178.4° | 180.0° |
| C08 | C09 | C14 | C13 | 176.4° | 179.9° |
| C08 | C09 | C10 | C11 | 176.3° | 179.9° |
| C08 | C09 | C10 | H101 | 3.7° | 0.2° |
| C09 | C08 | C07 | H071 | 2.1° | 0.0° |
| C09 | C08 | C18 | H181 | 1.2° | 0.1° |
| C09 | C14 | C13 | N17 | 179.5° | 179.9° |
| C09 | C14 | C13 | N12 | 1.3° | 0.2° |
| C14 | C09 | C10 | C11 | 2.2° | 0.0° |
| C14 | C09 | C10 | H101 | 177.9° | 179.7° |
| C09 | C14 | N15 | H151 | 1.2° | 0.0° |
| C14 | C13 | N17 | N12 | 179.1° | 179.7° |
| C13 | C14 | C09 | C10 | 2.0° | 0.0° |
| C14 | C13 | N12 | C11 | 0.9° | 0.4° |
| C13 | C14 | N15 | H151 | 179.2° | 180.0° |
| N17 | C13 | N12 | C11 | 179.9° | 180.0° |
| C13 | N17 | C16 | H161 | 179.0° | 180.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | N12 | 1.8° | 0.2° |
| C09 | C10 | C11 | H111 | 178.2° | 179.7° |
| C13 | N12 | C11 | C10 | 1.1° | 0.4° |
| C13 | N12 | C11 | H111 | 178.9° | 179.5° |
| C10 | C11 | N12 | H111 | 180.0° | 179.9° |
| N12 | C11 | C10 | H101 | 178.3° | 179.9° |
| H101 | C10 | C11 | H111 | 1.7° | 0.0° |
| H202 | C20 | H201 | H203 | 120.0° | 120.1° |
| H241 | C24 | C26 | H262 | 142.7° | 0.0° |
| H241 | C24 | C26 | H261 | 1.6° | 145.0° |
| H241 | C24 | C23 | H232 | 49.9° | 149.4° |
| H241 | C24 | C23 | H231 | 170.8° | 90.7° |
| H241 | C24 | C25 | H252 | 142.8° | 145.0° |
| H241 | C24 | C25 | H251 | 1.8° | 0.0° |
| H262 | C26 | C25 | H252 | 0.1° | 145.0° |
| H262 | C26 | C25 | H251 | 141.1° | 0.0° |
| H261 | C26 | C25 | H252 | 141.0° | 0.1° |
| H261 | C26 | C25 | H251 | 0.0° | 145.1° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H161 | C16 | N15 | H151 | 1.1° | 0.1° |
