NL8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O07 | C01 | sing | 1.36Å | 1.36Å | |
N20 | C19 | sing | 1.35Å | 1.33Å | |
O21 | C19 | doub | 1.22Å | 1.23Å | |
C19 | C16 | sing | 1.48Å | 1.44Å | |
C01 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
C01 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
C06 | C05 | doub | 1.36Å | 1.41Å | Aromatic |
C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.40Å | 1.44Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | O08 | sing | 1.36Å | 1.35Å | |
C03 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C05 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
C04 | C09 | sing | 1.47Å | 1.42Å | |
C13 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
C13 | N11 | sing | 1.39Å | 1.34Å | |
C09 | N11 | sing | 1.35Å | 1.36Å | |
C09 | O10 | doub | 1.22Å | 1.26Å | |
N11 | C12 | sing | 1.47Å | 1.48Å | |
C14 | H15 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C15 | H16 | sing | 1.08Å | 1.08Å | |
N20 | H21 | sing | 0.97Å | 1.00Å | |
N20 | H20 | sing | 0.97Å | 1.00Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C05 | H05 | sing | 1.08Å | 1.08Å | |
C06 | H06 | sing | 1.08Å | 1.08Å | |
O07 | H07 | sing | 0.97Å | 0.95Å | |
C02 | H02 | sing | 1.08Å | 1.08Å | |
O08 | H08 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O07 | C01 | C02 | 120.3° | 119.9° |
O07 | C01 | C06 | 120.4° | 119.9° |
C01 | O07 | H07 | 109.5° | 114.0° |
N20 | C19 | O21 | 123.7° | 120.0° |
N20 | C19 | C16 | 115.7° | 120.0° |
C19 | N20 | H21 | 120.0° | 120.0° |
C19 | N20 | H20 | 120.0° | 120.0° |
O21 | C19 | C16 | 120.7° | 119.9° |
C19 | C16 | C15 | 116.2° | 120.1° |
C19 | C16 | C17 | 127.8° | 120.0° |
C02 | C01 | C06 | 119.3° | 120.3° |
C01 | C02 | C03 | 120.5° | 119.9° |
C01 | C02 | H02 | 119.7° | 120.0° |
C01 | C06 | C05 | 119.0° | 120.4° |
C01 | C06 | H06 | 120.5° | 119.8° |
C02 | C03 | O08 | 120.5° | 120.1° |
C02 | C03 | C04 | 122.7° | 119.6° |
C03 | C02 | H02 | 119.7° | 120.1° |
C06 | C05 | C04 | 122.8° | 120.1° |
C06 | C05 | H05 | 118.6° | 120.0° |
C05 | C06 | H06 | 120.5° | 119.8° |
C15 | C16 | C17 | 115.9° | 119.9° |
C16 | C15 | C14 | 122.1° | 119.9° |
C16 | C15 | H16 | 118.9° | 120.1° |
C16 | C17 | C18 | 121.5° | 119.9° |
C16 | C17 | H17 | 119.2° | 120.1° |
C15 | C14 | C13 | 121.5° | 120.1° |
C15 | C14 | H15 | 119.3° | 120.0° |
C14 | C15 | H16 | 119.0° | 120.0° |
O08 | C03 | C04 | 116.8° | 120.2° |
C03 | O08 | H08 | 109.5° | 114.0° |
C03 | C04 | C05 | 115.6° | 119.7° |
C03 | C04 | C09 | 121.6° | 120.1° |
C14 | C13 | C18 | 118.4° | 120.2° |
C14 | C13 | N11 | 118.5° | 119.9° |
C13 | C14 | H15 | 119.3° | 120.0° |
C17 | C18 | C13 | 120.5° | 120.1° |
C18 | C17 | H17 | 119.2° | 120.0° |
C17 | C18 | H18 | 119.8° | 120.0° |
C05 | C04 | C09 | 122.8° | 120.2° |
C04 | C05 | H05 | 118.6° | 119.9° |
C04 | C09 | N11 | 117.5° | 120.0° |
C04 | C09 | O10 | 122.0° | 120.0° |
C18 | C13 | N11 | 123.0° | 119.9° |
C13 | C18 | H18 | 119.8° | 120.0° |
C13 | N11 | C09 | 124.5° | 120.0° |
C13 | N11 | C12 | 116.8° | 120.0° |
N11 | C09 | O10 | 120.5° | 120.0° |
C09 | N11 | C12 | 118.3° | 120.0° |
N11 | C12 | H12 | 109.5° | 109.4° |
N11 | C12 | H13 | 109.4° | 109.4° |
N11 | C12 | H14 | 109.4° | 109.5° |
H12 | C12 | H13 | 109.5° | 109.5° |
H12 | C12 | H14 | 109.5° | 109.5° |
H13 | C12 | H14 | 109.5° | 109.5° |
H21 | N20 | H20 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O07 | C01 | C02 | C06 | 179.9° | 179.7° |
O07 | C01 | C02 | C03 | 180.0° | 180.0° |
O07 | C01 | C06 | C05 | 179.9° | 179.7° |
O07 | C01 | C06 | H06 | 0.1° | 0.3° |
O07 | C01 | C02 | H02 | 0.0° | 0.3° |
N20 | C19 | O21 | C16 | 179.9° | 180.0° |
N20 | C19 | C16 | C15 | 3.9° | 180.0° |
N20 | C19 | C16 | C17 | 175.9° | 0.0° |
C19 | N20 | H21 | H20 | 180.0° | 179.9° |
O21 | C19 | C16 | C15 | 176.2° | 0.1° |
O21 | C19 | C16 | C17 | 4.0° | 180.0° |
O21 | C19 | N20 | H21 | 0.0° | 179.9° |
O21 | C19 | N20 | H20 | 180.0° | 0.0° |
C19 | C16 | C15 | C17 | 179.8° | 180.0° |
C19 | C16 | C15 | C14 | 179.8° | 180.0° |
C19 | C16 | C17 | C18 | 179.8° | 179.7° |
C19 | C16 | C15 | H16 | 0.2° | 0.0° |
C16 | C19 | N20 | H21 | 179.9° | 0.0° |
C16 | C19 | N20 | H20 | 0.1° | 180.0° |
C19 | C16 | C17 | H17 | 0.2° | 0.0° |
C01 | C02 | C03 | H02 | 180.0° | 179.8° |
C02 | C01 | C06 | C05 | 0.2° | 0.0° |
C01 | C02 | C03 | O08 | 179.9° | 180.0° |
C01 | C02 | C03 | C04 | 0.5° | 0.5° |
C02 | C01 | C06 | H06 | 179.8° | 180.0° |
C02 | C01 | O07 | H07 | 180.0° | 90.0° |
C06 | C01 | C02 | C03 | 0.1° | 0.3° |
C01 | C06 | C05 | H06 | 180.0° | 180.0° |
C01 | C06 | C05 | C04 | 0.2° | 0.0° |
C01 | C06 | C05 | H05 | 179.8° | 180.0° |
C06 | C01 | O07 | H07 | 0.1° | 89.7° |
C06 | C01 | C02 | H02 | 179.9° | 180.0° |
C02 | C03 | O08 | C04 | 179.6° | 179.5° |
C02 | C03 | C04 | C05 | 0.8° | 0.5° |
C02 | C03 | C04 | C09 | 179.4° | 179.8° |
C02 | C03 | O08 | H08 | 161.2° | 90.0° |
C06 | C05 | C04 | C03 | 0.7° | 0.3° |
C06 | C05 | C04 | H05 | 180.0° | 179.9° |
C06 | C05 | C04 | C09 | 179.2° | 180.0° |
C16 | C15 | C14 | H16 | 180.0° | 180.0° |
C16 | C15 | C14 | C13 | 1.2° | 0.0° |
C15 | C16 | C17 | C18 | 0.1° | 0.3° |
C16 | C15 | C14 | H15 | 178.8° | 179.8° |
C15 | C16 | C17 | H17 | 180.0° | 180.0° |
C17 | C16 | C15 | C14 | 0.0° | 0.0° |
C16 | C17 | C18 | H17 | 180.0° | 179.6° |
C16 | C17 | C18 | C13 | 1.1° | 0.6° |
C17 | C16 | C15 | H16 | 180.0° | 180.0° |
C16 | C17 | C18 | H18 | 178.9° | 179.9° |
C15 | C14 | C13 | H15 | 180.0° | 179.8° |
C15 | C14 | C13 | C18 | 2.3° | 0.2° |
C15 | C14 | C13 | N11 | 177.9° | 179.7° |
O08 | C03 | C04 | C05 | 179.5° | 180.0° |
O08 | C03 | C04 | C09 | 1.0° | 0.3° |
O08 | C03 | C02 | H02 | 0.0° | 0.2° |
C03 | C04 | C05 | C09 | 178.6° | 179.7° |
C03 | C04 | C09 | N11 | 123.0° | 154.0° |
C03 | C04 | C09 | O10 | 58.8° | 26.0° |
C03 | C04 | C05 | H05 | 179.3° | 179.8° |
C04 | C03 | C02 | H02 | 179.6° | 179.7° |
C04 | C03 | O08 | H08 | 19.2° | 90.5° |
C14 | C13 | C18 | C17 | 2.2° | 0.5° |
C14 | C13 | C18 | N11 | 175.4° | 179.9° |
C14 | C13 | N11 | C09 | 69.0° | 172.3° |
C14 | C13 | N11 | C12 | 103.9° | 7.6° |
C13 | C14 | C15 | H16 | 178.8° | 180.0° |
C14 | C13 | C18 | H18 | 177.8° | 180.0° |
C17 | C18 | C13 | H18 | 180.0° | 179.5° |
C17 | C18 | C13 | N11 | 177.7° | 179.4° |
C05 | C04 | C09 | N11 | 58.5° | 26.3° |
C05 | C04 | C09 | O10 | 119.6° | 153.7° |
C04 | C05 | C06 | H06 | 179.8° | 180.0° |
C04 | C09 | N11 | C13 | 7.6° | 175.2° |
C04 | C09 | N11 | O10 | 178.2° | 180.0° |
C04 | C09 | N11 | C12 | 179.7° | 4.9° |
C09 | C04 | C05 | H05 | 0.8° | 0.1° |
C18 | C13 | N11 | C09 | 115.6° | 7.8° |
C18 | C13 | N11 | C12 | 71.6° | 172.3° |
C18 | C13 | C14 | H15 | 177.7° | 180.0° |
C13 | C18 | C17 | H17 | 178.9° | 179.8° |
C13 | N11 | C09 | C12 | 172.7° | 179.9° |
C13 | N11 | C09 | O10 | 174.2° | 4.8° |
N11 | C13 | C14 | H15 | 2.1° | 0.1° |
C13 | N11 | C12 | H12 | 180.0° | 83.9° |
C13 | N11 | C12 | H13 | 60.0° | 156.2° |
C13 | N11 | C12 | H14 | 60.0° | 36.2° |
N11 | C13 | C18 | H18 | 2.3° | 0.1° |
C09 | N11 | C12 | H12 | 6.7° | 96.2° |
C09 | N11 | C12 | H13 | 113.3° | 23.8° |
C09 | N11 | C12 | H14 | 126.7° | 143.8° |
O10 | C09 | N11 | C12 | 1.4° | 175.1° |
N11 | C12 | H12 | H13 | 120.0° | 120.0° |
N11 | C12 | H12 | H14 | 120.0° | 120.0° |
N11 | C12 | H13 | H14 | 120.0° | 120.0° |
H15 | C14 | C15 | H16 | 1.2° | 0.2° |
H12 | C12 | H13 | H14 | 120.0° | 120.1° |
H17 | C17 | C18 | H18 | 1.1° | 0.3° |
H05 | C05 | C06 | H06 | 0.2° | 0.0° |