0HP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C28 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
C23 | C06 | sing | 1.48Å | 1.52Å | |
N01 | C02 | sing | 1.38Å | 1.46Å | |
C05 | C06 | sing | 1.39Å | 1.51Å | Aromatic |
C05 | C04 | doub | 1.35Å | 1.42Å | Aromatic |
C06 | C07 | doub | 1.35Å | 1.45Å | Aromatic |
C02 | C04 | sing | 1.47Å | 1.52Å | |
C02 | N03 | doub | 1.31Å | 1.25Å | |
C04 | S22 | sing | 1.76Å | 1.61Å | Aromatic |
C07 | S22 | sing | 1.71Å | 1.63Å | Aromatic |
C07 | C08 | sing | 1.51Å | 1.54Å | |
C08 | N09 | sing | 1.46Å | 1.46Å | |
N09 | C10 | sing | 1.35Å | 1.46Å | |
O11 | C10 | doub | 1.21Å | 1.19Å | |
C10 | C12 | sing | 1.51Å | 1.54Å | |
C12 | C13 | sing | 1.51Å | 1.54Å | |
C21 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
C21 | C20 | sing | 1.37Å | 1.40Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
C14 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
C16 | C15 | sing | 1.41Å | 1.37Å | Aromatic |
C16 | C17 | sing | 1.46Å | 1.41Å | Aromatic |
C15 | N19 | sing | 1.38Å | 1.37Å | Aromatic |
C17 | C18 | doub | 1.34Å | 1.38Å | Aromatic |
N19 | C18 | sing | 1.37Å | 1.33Å | Aromatic |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
C08 | H082 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C17 | H171 | sing | 1.08Å | 1.08Å | |
C18 | H181 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C24 | H241 | sing | 1.08Å | 1.08Å | |
C25 | H251 | sing | 1.08Å | 1.08Å | |
C26 | H261 | sing | 1.08Å | 1.08Å | |
C27 | H271 | sing | 1.08Å | 1.08Å | |
C28 | H281 | sing | 1.08Å | 1.08Å | |
N01 | H012 | sing | 0.97Å | 1.00Å | |
N03 | H031 | sing | 0.97Å | 1.00Å | |
N09 | H091 | sing | 0.97Å | 1.00Å | |
N19 | H191 | sing | 0.97Å | 1.00Å | |
N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | C27 | C28 | 119.4° | 120.1° |
C27 | C26 | C25 | 120.1° | 120.3° |
C27 | C26 | H261 | 120.0° | 119.9° |
C26 | C27 | H271 | 120.3° | 119.9° |
C27 | C28 | C23 | 120.6° | 119.9° |
C28 | C27 | H271 | 120.3° | 119.9° |
C27 | C28 | H281 | 119.7° | 120.0° |
C26 | C25 | C24 | 120.3° | 120.1° |
C26 | C25 | H251 | 119.8° | 120.0° |
C25 | C26 | H261 | 120.0° | 119.8° |
C28 | C23 | C24 | 120.0° | 119.8° |
C28 | C23 | C06 | 117.1° | 120.1° |
C23 | C28 | H281 | 119.7° | 120.1° |
C25 | C24 | C23 | 119.6° | 119.9° |
C25 | C24 | H241 | 120.2° | 120.1° |
C24 | C25 | H251 | 119.8° | 119.9° |
C24 | C23 | C06 | 122.8° | 120.1° |
C23 | C24 | H241 | 120.2° | 120.0° |
C23 | C06 | C05 | 118.9° | 122.7° |
C23 | C06 | C07 | 130.6° | 122.7° |
N01 | C02 | C04 | 119.0° | 120.0° |
N01 | C02 | N03 | 121.2° | 120.0° |
C02 | N01 | H012 | 120.0° | 120.0° |
C02 | N01 | H011 | 120.0° | 120.0° |
C06 | C05 | C04 | 110.0° | 113.5° |
C05 | C06 | C07 | 110.5° | 114.5° |
C06 | C05 | H051 | 125.0° | 123.2° |
C05 | C04 | C02 | 122.7° | 125.2° |
C05 | C04 | S22 | 110.2° | 109.6° |
C04 | C05 | H051 | 125.0° | 123.2° |
C06 | C07 | S22 | 108.2° | 110.7° |
C06 | C07 | C08 | 126.0° | 124.6° |
C04 | C02 | N03 | 119.9° | 120.0° |
C02 | C04 | S22 | 127.1° | 125.2° |
C02 | N03 | H031 | 112.0° | 120.0° |
C04 | S22 | C07 | 101.1° | 91.7° |
S22 | C07 | C08 | 125.8° | 124.6° |
C07 | C08 | N09 | 116.5° | 109.5° |
C07 | C08 | H081 | 107.7° | 109.5° |
C07 | C08 | H082 | 107.7° | 109.5° |
C08 | N09 | C10 | 117.2° | 120.0° |
N09 | C08 | H081 | 107.7° | 109.5° |
N09 | C08 | H082 | 107.7° | 109.5° |
C08 | N09 | H091 | 121.4° | 120.0° |
N09 | C10 | O11 | 116.9° | 120.0° |
N09 | C10 | C12 | 126.9° | 120.0° |
C10 | N09 | H091 | 121.4° | 120.0° |
O11 | C10 | C12 | 116.2° | 120.0° |
C10 | C12 | C13 | 123.2° | 109.5° |
C10 | C12 | H122 | 105.9° | 109.5° |
C10 | C12 | H121 | 105.9° | 109.5° |
C12 | C13 | C21 | 122.5° | 119.7° |
C12 | C13 | C14 | 118.0° | 119.6° |
C13 | C12 | H122 | 105.9° | 109.5° |
C13 | C12 | H121 | 105.9° | 109.4° |
C13 | C21 | C20 | 120.0° | 120.6° |
C21 | C13 | C14 | 119.4° | 120.7° |
C13 | C21 | H211 | 120.0° | 119.7° |
C21 | C20 | C16 | 120.3° | 119.7° |
C21 | C20 | H201 | 119.9° | 120.2° |
C20 | C21 | H211 | 120.0° | 119.7° |
C13 | C14 | C15 | 120.8° | 119.8° |
C13 | C14 | H141 | 119.6° | 120.1° |
C20 | C16 | C15 | 119.7° | 119.9° |
C20 | C16 | C17 | 134.7° | 134.0° |
C16 | C20 | H201 | 119.8° | 120.1° |
C14 | C15 | C16 | 119.9° | 119.3° |
C14 | C15 | N19 | 131.8° | 133.6° |
C15 | C14 | H141 | 119.6° | 120.1° |
C15 | C16 | C17 | 105.7° | 106.1° |
C16 | C15 | N19 | 108.3° | 107.1° |
C16 | C17 | C18 | 108.1° | 107.0° |
C16 | C17 | H171 | 126.0° | 126.6° |
C15 | N19 | C18 | 110.4° | 109.9° |
C15 | N19 | H191 | 124.8° | 125.0° |
C17 | C18 | N19 | 107.5° | 109.9° |
C18 | C17 | H171 | 126.0° | 126.5° |
C17 | C18 | H181 | 126.3° | 125.0° |
N19 | C18 | H181 | 126.2° | 125.1° |
C18 | N19 | H191 | 124.8° | 125.1° |
H081 | C08 | H082 | 109.5° | 109.4° |
H122 | C12 | H121 | 109.5° | 109.5° |
H012 | N01 | H011 | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | C27 | C28 | H271 | 180.0° | 179.7° |
C27 | C26 | C25 | H261 | 180.0° | 180.0° |
C26 | C27 | C28 | C23 | 0.7° | 0.6° |
C27 | C26 | C25 | C24 | 0.3° | 0.0° |
C27 | C26 | C25 | H251 | 179.7° | 180.0° |
C26 | C27 | C28 | H281 | 179.3° | 180.0° |
C28 | C27 | C26 | C25 | 0.2° | 0.3° |
C27 | C28 | C23 | H281 | 180.0° | 179.4° |
C27 | C28 | C23 | C24 | 1.4° | 0.6° |
C27 | C28 | C23 | C06 | 179.2° | 179.7° |
C28 | C27 | C26 | H261 | 179.9° | 179.8° |
C26 | C25 | C24 | H251 | 180.0° | 180.0° |
C26 | C25 | C24 | C23 | 1.0° | 0.1° |
C26 | C25 | C24 | H241 | 179.0° | 180.0° |
C25 | C26 | C27 | H271 | 179.9° | 180.0° |
C28 | C23 | C24 | C25 | 1.5° | 0.3° |
C28 | C23 | C24 | C06 | 177.7° | 179.7° |
C28 | C23 | C06 | C05 | 43.9° | 129.8° |
C28 | C23 | C06 | C07 | 136.0° | 50.3° |
C28 | C23 | C24 | H241 | 178.5° | 179.8° |
C23 | C28 | C27 | H271 | 179.3° | 179.7° |
C25 | C24 | C23 | H241 | 180.0° | 179.9° |
C25 | C24 | C23 | C06 | 179.2° | 180.0° |
C24 | C25 | C26 | H261 | 179.7° | 180.0° |
C24 | C23 | C06 | C05 | 133.9° | 49.9° |
C24 | C23 | C06 | C07 | 46.3° | 130.0° |
C23 | C24 | C25 | H251 | 179.0° | 180.0° |
C24 | C23 | C28 | H281 | 178.6° | 180.0° |
C23 | C06 | C05 | C07 | 179.9° | 180.0° |
C23 | C06 | C05 | C04 | 180.0° | 180.0° |
C23 | C06 | C07 | S22 | 179.6° | 179.8° |
C23 | C06 | C07 | C08 | 0.8° | 0.0° |
C23 | C06 | C05 | H051 | 0.0° | 0.0° |
C06 | C23 | C24 | H241 | 0.8° | 0.1° |
C06 | C23 | C28 | H281 | 0.8° | 0.3° |
N01 | C02 | C04 | C05 | 1.7° | 179.4° |
N01 | C02 | C04 | N03 | 179.8° | 179.7° |
N01 | C02 | C04 | S22 | 178.4° | 0.3° |
C02 | N01 | H012 | H011 | 180.0° | 179.9° |
N01 | C02 | N03 | H031 | 179.8° | 179.7° |
C06 | C05 | C04 | H051 | 180.0° | 180.0° |
C06 | C05 | C04 | C02 | 179.4° | 179.9° |
C06 | C05 | C04 | S22 | 0.4° | 0.2° |
C05 | C06 | C07 | S22 | 0.2° | 0.2° |
C05 | C06 | C07 | C08 | 179.1° | 180.0° |
C04 | C05 | C06 | C07 | 0.1° | 0.0° |
C05 | C04 | C02 | S22 | 179.9° | 179.7° |
C05 | C04 | C02 | N03 | 178.5° | 0.3° |
C05 | C04 | S22 | C07 | 0.6° | 0.3° |
C06 | C07 | S22 | C04 | 0.5° | 0.3° |
C06 | C07 | S22 | C08 | 178.9° | 179.8° |
C06 | C07 | C08 | N09 | 169.9° | 90.0° |
C07 | C06 | C05 | H051 | 179.9° | 180.0° |
C06 | C07 | C08 | H081 | 48.8° | 150.0° |
C06 | C07 | C08 | H082 | 69.1° | 30.0° |
C02 | C04 | S22 | C07 | 179.3° | 180.0° |
C02 | C04 | C05 | H051 | 0.6° | 0.0° |
C04 | C02 | N01 | H012 | 179.8° | 0.1° |
C04 | C02 | N03 | H031 | 0.0° | 0.0° |
C04 | C02 | N01 | H011 | 0.2° | 179.9° |
N03 | C02 | C04 | S22 | 1.4° | 179.9° |
N03 | C02 | N01 | H012 | 0.0° | 179.7° |
N03 | C02 | N01 | H011 | 180.0° | 0.4° |
C04 | S22 | C07 | C08 | 179.3° | 179.9° |
S22 | C04 | C05 | H051 | 179.5° | 179.8° |
S22 | C07 | C08 | N09 | 11.5° | 89.8° |
S22 | C07 | C08 | H081 | 132.5° | 30.3° |
S22 | C07 | C08 | H082 | 109.5° | 150.2° |
C07 | C08 | N09 | H081 | 121.0° | 120.0° |
C07 | C08 | N09 | H082 | 121.0° | 120.0° |
C07 | C08 | N09 | C10 | 157.7° | 180.0° |
C07 | C08 | H081 | H082 | 116.8° | 120.0° |
C07 | C08 | N09 | H091 | 22.3° | 0.1° |
C08 | N09 | C10 | H091 | 180.0° | 179.9° |
C08 | N09 | C10 | O11 | 2.3° | 0.1° |
C08 | N09 | C10 | C12 | 179.1° | 180.0° |
N09 | C08 | H081 | H082 | 116.8° | 120.0° |
N09 | C10 | O11 | C12 | 177.2° | 179.9° |
N09 | C10 | C12 | C13 | 45.5° | 180.0° |
C10 | N09 | C08 | H081 | 36.7° | 60.0° |
C10 | N09 | C08 | H082 | 81.3° | 60.0° |
N09 | C10 | C12 | H122 | 76.4° | 60.0° |
N09 | C10 | C12 | H121 | 167.3° | 60.1° |
O11 | C10 | C12 | C13 | 137.7° | 0.1° |
O11 | C10 | C12 | H122 | 100.4° | 120.0° |
O11 | C10 | C12 | H121 | 15.8° | 120.0° |
O11 | C10 | N09 | H091 | 177.7° | 180.0° |
C10 | C12 | C13 | H122 | 121.9° | 120.0° |
C10 | C12 | C13 | H121 | 121.9° | 120.0° |
C10 | C12 | C13 | C21 | 73.5° | 90.2° |
C10 | C12 | C13 | C14 | 108.8° | 90.0° |
C10 | C12 | H122 | H121 | 113.8° | 120.1° |
C12 | C10 | N09 | H091 | 0.9° | 0.1° |
C12 | C13 | C21 | C14 | 177.7° | 179.7° |
C12 | C13 | C21 | C20 | 179.4° | 179.7° |
C12 | C13 | C14 | C15 | 179.5° | 180.0° |
C13 | C12 | H122 | H121 | 113.9° | 119.9° |
C12 | C13 | C14 | H141 | 0.5° | 0.0° |
C12 | C13 | C21 | H211 | 0.6° | 0.0° |
C13 | C21 | C20 | H211 | 180.0° | 179.8° |
C13 | C21 | C20 | C16 | 0.8° | 0.5° |
C21 | C13 | C14 | C15 | 1.8° | 0.2° |
C21 | C13 | C12 | H122 | 164.6° | 149.7° |
C21 | C13 | C12 | H121 | 48.3° | 29.8° |
C21 | C13 | C14 | H141 | 178.3° | 179.7° |
C13 | C21 | C20 | H201 | 179.2° | 179.7° |
C20 | C21 | C13 | C14 | 1.7° | 0.6° |
C21 | C20 | C16 | H201 | 180.0° | 179.7° |
C21 | C20 | C16 | C15 | 0.1° | 0.2° |
C21 | C20 | C16 | C17 | 179.9° | 179.7° |
C13 | C14 | C15 | H141 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.9° | 0.1° |
C13 | C14 | C15 | N19 | 179.2° | 180.0° |
C14 | C13 | C12 | H122 | 13.1° | 30.0° |
C14 | C13 | C12 | H121 | 129.4° | 150.0° |
C14 | C13 | C21 | H211 | 178.3° | 179.7° |
C20 | C16 | C15 | C14 | 0.0° | 0.1° |
C20 | C16 | C15 | C17 | 179.9° | 179.9° |
C20 | C16 | C15 | N19 | 179.9° | 180.0° |
C20 | C16 | C17 | C18 | 179.8° | 179.9° |
C20 | C16 | C17 | H171 | 0.2° | 0.0° |
C16 | C20 | C21 | H211 | 179.2° | 179.7° |
C14 | C15 | C16 | N19 | 179.9° | 179.9° |
C14 | C15 | C16 | C17 | 179.9° | 180.0° |
C14 | C15 | N19 | C18 | 179.8° | 180.0° |
C14 | C15 | N19 | H191 | 0.2° | 0.0° |
C15 | C16 | C17 | C18 | 0.1° | 0.0° |
C16 | C15 | N19 | C18 | 0.1° | 0.1° |
C16 | C15 | C14 | H141 | 179.1° | 180.0° |
C15 | C16 | C17 | H171 | 179.9° | 179.9° |
C15 | C16 | C20 | H201 | 180.0° | 180.0° |
C16 | C15 | N19 | H191 | 179.9° | 180.0° |
C17 | C16 | C15 | N19 | 0.0° | 0.1° |
C16 | C17 | C18 | H171 | 180.0° | 179.9° |
C16 | C17 | C18 | N19 | 0.1° | 0.0° |
C16 | C17 | C18 | H181 | 179.9° | 180.0° |
C17 | C16 | C20 | H201 | 0.1° | 0.1° |
C15 | N19 | C18 | C17 | 0.1° | 0.1° |
C15 | N19 | C18 | H191 | 180.0° | 180.0° |
N19 | C15 | C14 | H141 | 0.8° | 0.0° |
C15 | N19 | C18 | H181 | 179.9° | 180.0° |
C17 | C18 | N19 | H181 | 180.0° | 179.9° |
C17 | C18 | N19 | H191 | 179.9° | 180.0° |
N19 | C18 | C17 | H171 | 179.9° | 180.0° |
H081 | C08 | N09 | H091 | 143.3° | 119.9° |
H082 | C08 | N09 | H091 | 98.7° | 120.1° |
H171 | C17 | C18 | H181 | 0.1° | 0.1° |
H181 | C18 | N19 | H191 | 0.1° | 0.1° |
H201 | C20 | C21 | H211 | 0.8° | 0.0° |
H241 | C24 | C25 | H251 | 1.0° | 0.1° |
H251 | C25 | C26 | H261 | 0.3° | 0.0° |
H261 | C26 | C27 | H271 | 0.1° | 0.0° |
H271 | C27 | C28 | H281 | 0.7° | 0.3° |