N5Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
C21 | C20 | sing | 1.36Å | 1.38Å | Aromatic |
C22 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
C20 | C19 | doub | 1.41Å | 1.44Å | Aromatic |
O01 | C02 | doub | 1.22Å | 1.24Å | |
C23 | C24 | doub | 1.40Å | 1.44Å | Aromatic |
O10 | C09 | sing | 1.36Å | 1.37Å | |
C02 | O03 | sing | 1.35Å | 1.19Å | |
C02 | C04 | sing | 1.47Å | 1.53Å | |
C19 | C24 | sing | 1.42Å | 1.41Å | Aromatic |
C19 | C18 | sing | 1.40Å | 1.45Å | Aromatic |
C24 | C25 | sing | 1.41Å | 1.43Å | Aromatic |
C09 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C25 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
C08 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
C05 | C06 | doub | 1.36Å | 1.37Å | Aromatic |
C17 | C26 | sing | 1.40Å | 1.44Å | Aromatic |
C17 | C14 | sing | 1.48Å | 1.53Å | |
C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
C07 | N11 | sing | 1.39Å | 1.41Å | |
N13 | C14 | sing | 1.33Å | 1.42Å | Aromatic |
N13 | C12 | doub | 1.30Å | 1.37Å | Aromatic |
C14 | C15 | doub | 1.35Å | 1.38Å | Aromatic |
N11 | C12 | sing | 1.39Å | 1.36Å | |
C12 | S16 | sing | 1.76Å | 1.76Å | Aromatic |
C15 | S16 | sing | 1.76Å | 1.76Å | Aromatic |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C18 | H181 | sing | 1.08Å | 1.08Å | |
C22 | H221 | sing | 1.08Å | 1.08Å | |
C23 | H231 | sing | 1.08Å | 1.08Å | |
C26 | H261 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C25 | H251 | sing | 1.08Å | 1.08Å | |
N11 | H111 | sing | 0.97Å | 1.00Å | |
O03 | H1 | sing | 0.97Å | 0.95Å | |
O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C22 | C21 | C20 | 120.5° | 121.0° |
C21 | C22 | C23 | 119.5° | 121.0° |
C21 | C22 | H221 | 120.3° | 119.5° |
C22 | C21 | H211 | 119.8° | 119.5° |
C21 | C20 | C19 | 121.7° | 119.6° |
C21 | C20 | H201 | 119.2° | 120.2° |
C20 | C21 | H211 | 119.8° | 119.5° |
C22 | C23 | C24 | 121.0° | 119.7° |
C23 | C22 | H221 | 120.3° | 119.5° |
C22 | C23 | H231 | 119.5° | 120.1° |
C20 | C19 | C24 | 117.2° | 119.4° |
C20 | C19 | C18 | 123.2° | 121.2° |
C19 | C20 | H201 | 119.2° | 120.2° |
O01 | C02 | O03 | 128.4° | 120.0° |
O01 | C02 | C04 | 115.4° | 120.0° |
C23 | C24 | C19 | 120.1° | 119.3° |
C23 | C24 | C25 | 122.8° | 121.1° |
C24 | C23 | H231 | 119.5° | 120.2° |
O10 | C09 | C04 | 117.4° | 120.2° |
O10 | C09 | C08 | 120.3° | 120.2° |
C09 | O10 | H101 | 109.5° | 114.0° |
O03 | C02 | C04 | 115.3° | 120.0° |
C02 | O03 | H1 | 109.5° | 117.0° |
C02 | C04 | C09 | 123.3° | 120.1° |
C02 | C04 | C05 | 119.7° | 120.1° |
C24 | C19 | C18 | 119.5° | 119.4° |
C19 | C24 | C25 | 117.1° | 119.6° |
C19 | C18 | C17 | 123.4° | 119.5° |
C19 | C18 | H181 | 118.3° | 120.2° |
C24 | C25 | C26 | 122.0° | 120.0° |
C24 | C25 | H251 | 119.0° | 120.0° |
C04 | C09 | C08 | 122.3° | 119.6° |
C09 | C04 | C05 | 116.8° | 119.8° |
C09 | C08 | C07 | 119.0° | 119.9° |
C09 | C08 | H081 | 120.5° | 120.1° |
C04 | C05 | C06 | 122.2° | 120.1° |
C04 | C05 | H051 | 118.9° | 119.9° |
C18 | C17 | C26 | 115.6° | 120.6° |
C18 | C17 | C14 | 122.7° | 119.7° |
C17 | C18 | H181 | 118.3° | 120.3° |
C25 | C26 | C17 | 122.3° | 120.8° |
C25 | C26 | H261 | 118.9° | 119.6° |
C26 | C25 | H251 | 119.0° | 120.0° |
C08 | C07 | C06 | 118.9° | 120.3° |
C08 | C07 | N11 | 120.3° | 119.9° |
C07 | C08 | H081 | 120.5° | 120.1° |
C05 | C06 | C07 | 120.9° | 120.4° |
C06 | C05 | H051 | 118.9° | 120.0° |
C05 | C06 | H061 | 119.6° | 119.8° |
C26 | C17 | C14 | 121.7° | 119.7° |
C17 | C26 | H261 | 118.8° | 119.6° |
C17 | C14 | N13 | 118.9° | 122.3° |
C17 | C14 | C15 | 128.7° | 122.3° |
C06 | C07 | N11 | 120.9° | 119.9° |
C07 | C06 | H061 | 119.5° | 119.9° |
C07 | N11 | C12 | 128.8° | 120.0° |
C07 | N11 | H111 | 115.6° | 120.1° |
C14 | N13 | C12 | 112.4° | 117.0° |
N13 | C14 | C15 | 112.3° | 115.4° |
N13 | C12 | N11 | 122.2° | 125.3° |
N13 | C12 | S16 | 113.2° | 109.4° |
C14 | C15 | S16 | 113.0° | 108.2° |
C14 | C15 | H151 | 123.5° | 125.9° |
N11 | C12 | S16 | 124.6° | 125.3° |
C12 | N11 | H111 | 115.6° | 120.0° |
C12 | S16 | C15 | 89.1° | 90.0° |
S16 | C15 | H151 | 123.5° | 125.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C22 | C21 | C20 | H211 | 180.0° | 179.9° |
C21 | C22 | C23 | H221 | 180.0° | 180.0° |
C22 | C21 | C20 | C19 | 0.5° | 0.0° |
C21 | C22 | C23 | C24 | 0.3° | 0.0° |
C21 | C22 | C23 | H231 | 179.7° | 180.0° |
C22 | C21 | C20 | H201 | 179.4° | 180.0° |
C20 | C21 | C22 | C23 | 0.0° | 0.0° |
C21 | C20 | C19 | H201 | 180.0° | 180.0° |
C21 | C20 | C19 | C24 | 1.4° | 0.0° |
C21 | C20 | C19 | C18 | 179.6° | 180.0° |
C20 | C21 | C22 | H221 | 180.0° | 180.0° |
C22 | C23 | C24 | H231 | 180.0° | 180.0° |
C22 | C23 | C24 | C19 | 1.1° | 0.0° |
C22 | C23 | C24 | C25 | 179.8° | 179.8° |
C23 | C22 | C21 | H211 | 180.0° | 179.9° |
C20 | C19 | C24 | C23 | 1.6° | 0.0° |
C20 | C19 | C24 | C18 | 178.3° | 180.0° |
C20 | C19 | C24 | C25 | 179.2° | 179.8° |
C20 | C19 | C18 | C17 | 179.0° | 180.0° |
C20 | C19 | C18 | H181 | 1.0° | 0.0° |
C19 | C20 | C21 | H211 | 179.4° | 180.0° |
O01 | C02 | O03 | C04 | 168.5° | 179.9° |
O01 | C02 | C04 | C09 | 13.2° | 0.3° |
O01 | C02 | C04 | C05 | 171.9° | 180.0° |
O01 | C02 | O03 | H1 | 0.0° | 0.1° |
C23 | C24 | C19 | C25 | 179.1° | 179.8° |
C23 | C24 | C19 | C18 | 179.9° | 180.0° |
C23 | C24 | C25 | C26 | 179.6° | 179.8° |
C24 | C23 | C22 | H221 | 179.7° | 180.0° |
C23 | C24 | C25 | H251 | 0.4° | 0.2° |
O10 | C09 | C04 | C02 | 4.8° | 0.0° |
O10 | C09 | C04 | C08 | 179.8° | 179.8° |
O10 | C09 | C04 | C05 | 179.8° | 179.7° |
O10 | C09 | C08 | C07 | 179.2° | 179.7° |
O10 | C09 | C08 | H081 | 0.8° | 0.1° |
O03 | C02 | C04 | C09 | 156.9° | 179.8° |
O03 | C02 | C04 | C05 | 18.0° | 0.1° |
C02 | C04 | C09 | C05 | 175.0° | 179.7° |
C02 | C04 | C09 | C08 | 175.1° | 179.8° |
C02 | C04 | C05 | C06 | 175.1° | 180.0° |
C02 | C04 | C05 | H051 | 4.9° | 0.0° |
C04 | C02 | O03 | H1 | 168.5° | 180.0° |
C24 | C19 | C18 | C17 | 0.8° | 0.0° |
C19 | C24 | C25 | C26 | 0.5° | 0.5° |
C24 | C19 | C18 | H181 | 179.2° | 180.0° |
C19 | C24 | C23 | H231 | 178.9° | 180.0° |
C24 | C19 | C20 | H201 | 178.6° | 180.0° |
C19 | C24 | C25 | H251 | 179.5° | 180.0° |
C18 | C19 | C24 | C25 | 0.9° | 0.2° |
C19 | C18 | C17 | H181 | 180.0° | 180.0° |
C19 | C18 | C17 | C26 | 0.1° | 0.0° |
C19 | C18 | C17 | C14 | 180.0° | 179.7° |
C18 | C19 | C20 | H201 | 0.4° | 0.0° |
C24 | C25 | C26 | H251 | 180.0° | 179.6° |
C24 | C25 | C26 | C17 | 0.2° | 0.5° |
C25 | C24 | C23 | H231 | 0.2° | 0.2° |
C24 | C25 | C26 | H261 | 179.8° | 179.5° |
C04 | C09 | C08 | C07 | 0.6° | 0.5° |
C09 | C04 | C05 | C06 | 0.1° | 0.3° |
C09 | C04 | C05 | H051 | 179.8° | 179.7° |
C04 | C09 | C08 | H081 | 179.4° | 179.7° |
C04 | C09 | O10 | H101 | 1.4° | 90.0° |
C08 | C09 | C04 | C05 | 0.0° | 0.5° |
C09 | C08 | C07 | H081 | 180.0° | 179.8° |
C09 | C08 | C07 | C06 | 0.9° | 0.2° |
C09 | C08 | C07 | N11 | 178.6° | 179.8° |
C08 | C09 | O10 | H101 | 178.8° | 89.8° |
C04 | C05 | C06 | H051 | 180.0° | 180.0° |
C04 | C05 | C06 | C07 | 0.2° | 0.0° |
C04 | C05 | C06 | H061 | 179.7° | 180.0° |
C18 | C17 | C26 | C25 | 0.4° | 0.2° |
C18 | C17 | C26 | C14 | 179.9° | 179.7° |
C18 | C17 | C14 | N13 | 0.2° | 5.8° |
C18 | C17 | C14 | C15 | 179.2° | 174.7° |
C18 | C17 | C26 | H261 | 179.6° | 179.7° |
C25 | C26 | C17 | H261 | 180.0° | 179.9° |
C25 | C26 | C17 | C14 | 179.5° | 179.9° |
C08 | C07 | C06 | C05 | 0.8° | 0.0° |
C08 | C07 | C06 | N11 | 179.6° | 180.0° |
C08 | C07 | N11 | C12 | 14.7° | 36.1° |
C08 | C07 | C06 | H061 | 179.2° | 180.0° |
C08 | C07 | N11 | H111 | 165.3° | 144.0° |
C05 | C06 | C07 | H061 | 180.0° | 180.0° |
C05 | C06 | C07 | N11 | 178.8° | 180.0° |
C26 | C17 | C14 | N13 | 179.7° | 174.4° |
C26 | C17 | C14 | C15 | 0.7° | 5.0° |
C26 | C17 | C18 | H181 | 179.9° | 180.0° |
C17 | C26 | C25 | H251 | 179.8° | 180.0° |
C17 | C14 | N13 | C15 | 179.1° | 179.5° |
C17 | C14 | N13 | C12 | 179.4° | 179.8° |
C17 | C14 | C15 | S16 | 179.9° | 180.0° |
C17 | C14 | C15 | H151 | 0.1° | 0.0° |
C14 | C17 | C18 | H181 | 0.0° | 0.3° |
C14 | C17 | C26 | H261 | 0.5° | 0.0° |
C06 | C07 | N11 | C12 | 164.9° | 143.9° |
C07 | C06 | C05 | H051 | 179.8° | 180.0° |
C06 | C07 | C08 | H081 | 179.0° | 179.9° |
C06 | C07 | N11 | H111 | 15.1° | 36.0° |
C07 | N11 | C12 | N13 | 12.6° | 173.6° |
C07 | N11 | C12 | H111 | 180.0° | 180.0° |
C07 | N11 | C12 | S16 | 168.8° | 6.6° |
N11 | C07 | C06 | H061 | 1.2° | 0.0° |
N11 | C07 | C08 | H081 | 1.4° | 0.1° |
C14 | N13 | C12 | N11 | 179.1° | 179.8° |
C14 | N13 | C12 | S16 | 0.4° | 0.0° |
N13 | C14 | C15 | S16 | 0.9° | 0.5° |
N13 | C14 | C15 | H151 | 179.2° | 179.5° |
C12 | N13 | C14 | C15 | 0.3° | 0.3° |
N13 | C12 | N11 | S16 | 178.6° | 179.7° |
N13 | C12 | S16 | C15 | 0.7° | 0.2° |
N13 | C12 | N11 | H111 | 167.4° | 6.4° |
C14 | C15 | S16 | C12 | 0.9° | 0.4° |
C14 | C15 | S16 | H151 | 180.0° | 180.0° |
N11 | C12 | S16 | C15 | 179.4° | 180.0° |
C12 | S16 | C15 | H151 | 179.1° | 179.6° |
S16 | C12 | N11 | H111 | 11.2° | 173.4° |
H221 | C22 | C23 | H231 | 0.3° | 0.0° |
H221 | C22 | C21 | H211 | 0.0° | 0.1° |
H261 | C26 | C25 | H251 | 0.2° | 0.1° |
H051 | C05 | C06 | H061 | 0.2° | 0.0° |
H201 | C20 | C21 | H211 | 0.6° | 0.0° |