VIW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N13 | C12 | sing | 1.39Å | 1.44Å | |
C12 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C12 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
N11 | C10 | trip | 1.14Å | 1.13Å | |
C10 | C09 | sing | 1.43Å | 1.53Å | |
C09 | C08 | doub | 1.41Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
C08 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
C08 | C07 | sing | 1.48Å | 1.53Å | |
C06 | C07 | doub | 1.36Å | 1.40Å | Aromatic |
C06 | N05 | sing | 1.36Å | 1.34Å | Aromatic |
C07 | C17 | sing | 1.47Å | 1.43Å | Aromatic |
O23 | C02 | doub | 1.21Å | 1.26Å | |
N05 | C04 | sing | 1.47Å | 1.43Å | |
N05 | C18 | sing | 1.38Å | 1.34Å | Aromatic |
C04 | C03 | sing | 1.53Å | 1.53Å | |
C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
C17 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
C02 | C03 | sing | 1.51Å | 1.48Å | |
C02 | O01 | sing | 1.34Å | 1.23Å | |
C18 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
C22 | C21 | doub | 1.37Å | 1.40Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
C15 | H1 | sing | 1.08Å | 1.08Å | |
C20 | H2 | sing | 1.08Å | 1.08Å | |
C21 | H3 | sing | 1.08Å | 1.08Å | |
C22 | H4 | sing | 1.08Å | 1.08Å | |
O01 | H5 | sing | 0.97Å | 0.95Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C04 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.08Å | 1.08Å | |
N13 | H11 | sing | 0.97Å | 1.00Å | |
N13 | H12 | sing | 0.97Å | 1.00Å | |
C14 | H13 | sing | 1.08Å | 1.08Å | |
C16 | H14 | sing | 1.08Å | 1.08Å | |
C19 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N13 | C12 | C14 | 120.2° | 120.1° |
N13 | C12 | C09 | 119.8° | 120.1° |
C12 | N13 | H11 | 109.5° | 120.0° |
C12 | N13 | H12 | 109.4° | 120.0° |
C14 | C12 | C09 | 120.0° | 119.8° |
C12 | C14 | C15 | 120.3° | 120.4° |
C12 | C14 | H13 | 119.8° | 119.9° |
C12 | C09 | C10 | 117.0° | 120.3° |
C12 | C09 | C08 | 119.6° | 119.4° |
C14 | C15 | C16 | 120.1° | 120.6° |
C14 | C15 | H1 | 120.0° | 119.8° |
C15 | C14 | H13 | 119.8° | 119.7° |
N11 | C10 | C09 | 175.9° | 179.9° |
C10 | C09 | C08 | 123.4° | 120.3° |
C09 | C08 | C16 | 120.9° | 119.6° |
C09 | C08 | C07 | 123.8° | 120.2° |
C15 | C16 | C08 | 119.0° | 120.2° |
C16 | C15 | H1 | 120.0° | 119.7° |
C15 | C16 | H14 | 120.5° | 119.9° |
C16 | C08 | C07 | 115.1° | 120.2° |
C08 | C16 | H14 | 120.5° | 119.9° |
C08 | C07 | C06 | 126.6° | 126.7° |
C08 | C07 | C17 | 126.7° | 126.7° |
C07 | C06 | N05 | 108.4° | 109.7° |
C06 | C07 | C17 | 106.4° | 106.6° |
C07 | C06 | H10 | 125.8° | 125.2° |
C06 | N05 | C04 | 122.6° | 124.9° |
C06 | N05 | C18 | 110.0° | 110.2° |
N05 | C06 | H10 | 125.8° | 125.1° |
C07 | C17 | C18 | 105.5° | 106.0° |
C07 | C17 | C22 | 132.4° | 134.0° |
O23 | C02 | C03 | 120.1° | 119.9° |
O23 | C02 | O01 | 120.3° | 120.0° |
C04 | N05 | C18 | 127.3° | 124.9° |
N05 | C04 | C03 | 113.9° | 109.5° |
N05 | C04 | H8 | 108.3° | 109.4° |
N05 | C04 | H9 | 108.4° | 109.5° |
N05 | C18 | C17 | 109.7° | 107.4° |
N05 | C18 | C19 | 132.6° | 133.3° |
C04 | C03 | C02 | 105.8° | 109.5° |
C04 | C03 | H6 | 110.4° | 109.5° |
C04 | C03 | H7 | 110.4° | 109.5° |
C03 | C04 | H8 | 108.4° | 109.5° |
C03 | C04 | H9 | 108.3° | 109.5° |
C18 | C17 | C22 | 122.2° | 120.1° |
C17 | C18 | C19 | 117.7° | 119.2° |
C17 | C22 | C21 | 120.0° | 119.8° |
C17 | C22 | H4 | 120.0° | 120.1° |
C03 | C02 | O01 | 119.6° | 120.0° |
C02 | C03 | H6 | 110.4° | 109.4° |
C02 | C03 | H7 | 110.4° | 109.5° |
C02 | O01 | H5 | 109.5° | 117.0° |
C18 | C19 | C20 | 119.8° | 119.8° |
C18 | C19 | H15 | 120.1° | 120.1° |
C22 | C21 | C20 | 118.3° | 120.5° |
C22 | C21 | H3 | 120.9° | 119.8° |
C21 | C22 | H4 | 120.0° | 120.1° |
C19 | C20 | C21 | 122.1° | 120.6° |
C19 | C20 | H2 | 118.9° | 119.7° |
C20 | C19 | H15 | 120.1° | 120.1° |
C21 | C20 | H2 | 119.0° | 119.7° |
C20 | C21 | H3 | 120.9° | 119.7° |
H6 | C03 | H7 | 109.5° | 109.4° |
H8 | C04 | H9 | 109.5° | 109.5° |
H11 | N13 | H12 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N13 | C12 | C14 | C09 | 179.5° | 179.5° |
N13 | C12 | C14 | C15 | 178.9° | 180.0° |
N13 | C12 | C09 | C10 | 1.2° | 0.3° |
N13 | C12 | C09 | C08 | 180.0° | 179.7° |
C12 | N13 | H11 | H12 | 120.0° | 179.9° |
N13 | C12 | C14 | H13 | 1.1° | 0.1° |
C12 | C14 | C15 | H13 | 180.0° | 179.9° |
C14 | C12 | C09 | C10 | 179.3° | 179.8° |
C14 | C12 | C09 | C08 | 0.5° | 0.8° |
C12 | C14 | C15 | C16 | 1.1° | 0.1° |
C12 | C14 | C15 | H1 | 178.9° | 179.7° |
C14 | C12 | N13 | H11 | 180.0° | 0.1° |
C14 | C12 | N13 | H12 | 60.0° | 180.0° |
C09 | C12 | C14 | C15 | 0.6° | 0.5° |
C12 | C09 | C10 | N11 | 1.6° | 177.5° |
C12 | C09 | C10 | C08 | 178.8° | 179.4° |
C12 | C09 | C08 | C16 | 1.0° | 0.6° |
C12 | C09 | C08 | C07 | 177.7° | 179.5° |
C09 | C12 | N13 | H11 | 0.5° | 179.4° |
C09 | C12 | N13 | H12 | 119.5° | 0.5° |
C09 | C12 | C14 | H13 | 179.4° | 179.4° |
C14 | C15 | C16 | H1 | 180.0° | 179.6° |
C14 | C15 | C16 | C08 | 0.6° | 0.3° |
C14 | C15 | C16 | H14 | 179.4° | 179.7° |
N11 | C10 | C09 | C08 | 179.6° | 1.9° |
C10 | C09 | C08 | C16 | 179.7° | 180.0° |
C10 | C09 | C08 | C07 | 3.6° | 0.1° |
C09 | C08 | C16 | C15 | 0.5° | 0.0° |
C09 | C08 | C16 | C07 | 177.0° | 179.9° |
C09 | C08 | C07 | C06 | 51.4° | 115.0° |
C09 | C08 | C07 | C17 | 136.1° | 65.0° |
C09 | C08 | C16 | H14 | 179.5° | 180.0° |
C15 | C16 | C08 | H14 | 180.0° | 180.0° |
C15 | C16 | C08 | C07 | 177.5° | 179.9° |
C16 | C15 | C14 | H13 | 178.9° | 180.0° |
C16 | C08 | C07 | C06 | 125.5° | 64.9° |
C16 | C08 | C07 | C17 | 47.0° | 115.0° |
C08 | C16 | C15 | H1 | 179.4° | 180.0° |
C08 | C07 | C06 | C17 | 173.7° | 180.0° |
C08 | C07 | C06 | N05 | 176.6° | 179.8° |
C08 | C07 | C17 | C18 | 175.8° | 180.0° |
C08 | C07 | C17 | C22 | 5.7° | 0.3° |
C08 | C07 | C06 | H10 | 3.4° | 0.1° |
C07 | C08 | C16 | H14 | 2.5° | 0.1° |
C07 | C06 | N05 | H10 | 180.0° | 179.9° |
C07 | C06 | N05 | C04 | 179.7° | 180.0° |
C07 | C06 | N05 | C18 | 2.6° | 0.4° |
C06 | C07 | C17 | C18 | 2.1° | 0.0° |
C06 | C07 | C17 | C22 | 179.4° | 179.8° |
N05 | C06 | C07 | C17 | 2.9° | 0.2° |
C06 | N05 | C04 | C18 | 176.6° | 179.6° |
C06 | N05 | C04 | C03 | 134.6° | 95.4° |
C06 | N05 | C18 | C17 | 1.3° | 0.4° |
C06 | N05 | C18 | C19 | 179.9° | 179.6° |
C06 | N05 | C04 | H8 | 104.7° | 144.6° |
C06 | N05 | C04 | H9 | 14.0° | 24.6° |
C07 | C17 | C18 | N05 | 0.6° | 0.2° |
C07 | C17 | C18 | C22 | 178.7° | 179.8° |
C07 | C17 | C18 | C19 | 178.3° | 179.8° |
C07 | C17 | C22 | C21 | 178.0° | 179.7° |
C07 | C17 | C22 | H4 | 2.0° | 0.2° |
C17 | C07 | C06 | H10 | 177.1° | 179.9° |
O23 | C02 | C03 | C04 | 5.8° | 0.0° |
O23 | C02 | C03 | O01 | 179.1° | 180.0° |
O23 | C02 | O01 | H5 | 0.0° | 0.0° |
O23 | C02 | C03 | H6 | 113.6° | 120.1° |
O23 | C02 | C03 | H7 | 125.2° | 120.0° |
N05 | C04 | C03 | H8 | 120.6° | 120.0° |
N05 | C04 | C03 | H9 | 120.7° | 120.0° |
C04 | N05 | C18 | C17 | 178.2° | 180.0° |
N05 | C04 | C03 | C02 | 89.5° | 180.0° |
C04 | N05 | C18 | C19 | 3.2° | 0.0° |
N05 | C04 | C03 | H6 | 29.9° | 60.0° |
N05 | C04 | C03 | H7 | 151.0° | 60.0° |
N05 | C04 | H8 | H9 | 118.0° | 120.0° |
C04 | N05 | C06 | H10 | 0.3° | 0.1° |
C18 | N05 | C04 | C03 | 48.8° | 85.0° |
N05 | C18 | C17 | C19 | 178.8° | 180.0° |
N05 | C18 | C17 | C22 | 179.2° | 180.0° |
N05 | C18 | C19 | C20 | 179.0° | 180.0° |
C18 | N05 | C04 | H8 | 71.8° | 35.0° |
C18 | N05 | C04 | H9 | 169.4° | 155.0° |
C18 | N05 | C06 | H10 | 177.4° | 179.7° |
N05 | C18 | C19 | H15 | 1.0° | 0.0° |
C04 | C03 | C02 | H6 | 119.4° | 120.0° |
C04 | C03 | C02 | H7 | 119.4° | 120.0° |
C04 | C03 | C02 | O01 | 173.3° | 180.0° |
C04 | C03 | H6 | H7 | 121.7° | 120.0° |
C03 | C04 | H8 | H9 | 118.0° | 120.1° |
C18 | C17 | C22 | C21 | 0.2° | 0.1° |
C17 | C18 | C19 | C20 | 0.5° | 0.0° |
C18 | C17 | C22 | H4 | 179.8° | 180.0° |
C17 | C18 | C19 | H15 | 179.5° | 180.0° |
C22 | C17 | C18 | C19 | 0.4° | 0.0° |
C17 | C22 | C21 | H4 | 180.0° | 179.9° |
C17 | C22 | C21 | C20 | 0.1° | 0.0° |
C17 | C22 | C21 | H3 | 179.9° | 180.0° |
C03 | C02 | O01 | H5 | 179.1° | 180.0° |
C02 | C03 | H6 | H7 | 121.7° | 120.0° |
C02 | C03 | C04 | H8 | 149.8° | 60.0° |
C02 | C03 | C04 | H9 | 31.1° | 60.0° |
O01 | C02 | C03 | H6 | 67.3° | 59.9° |
O01 | C02 | C03 | H7 | 53.9° | 60.0° |
C18 | C19 | C20 | H15 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 0.4° | 0.0° |
C18 | C19 | C20 | H2 | 179.6° | 179.9° |
C22 | C21 | C20 | C19 | 0.2° | 0.0° |
C22 | C21 | C20 | H3 | 180.0° | 180.0° |
C22 | C21 | C20 | H2 | 179.8° | 179.9° |
C19 | C20 | C21 | H2 | 180.0° | 179.9° |
C19 | C20 | C21 | H3 | 179.8° | 179.9° |
C20 | C21 | C22 | H4 | 179.9° | 179.9° |
C21 | C20 | C19 | H15 | 179.6° | 180.0° |
H1 | C15 | C14 | H13 | 1.1° | 0.4° |
H1 | C15 | C16 | H14 | 0.6° | 0.1° |
H2 | C20 | C21 | H3 | 0.2° | 0.0° |
H2 | C20 | C19 | H15 | 0.4° | 0.1° |
H3 | C21 | C22 | H4 | 0.1° | 0.1° |
H6 | C03 | C04 | H8 | 90.8° | 180.0° |
H6 | C03 | C04 | H9 | 150.5° | 60.0° |
H7 | C03 | C04 | H8 | 30.4° | 60.0° |
H7 | C03 | C04 | H9 | 88.3° | 180.0° |