OG7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N04 | C04 | sing | 1.37Å | 1.37Å | |
N01 | C04 | sing | 1.36Å | 1.39Å | |
N01 | C01 | sing | 1.37Å | 1.39Å | |
C04 | N02 | doub | 1.32Å | 1.30Å | |
N03 | C01 | sing | 1.36Å | 1.37Å | Aromatic |
N03 | C06 | sing | 1.37Å | 1.39Å | Aromatic |
C01 | C02 | doub | 1.39Å | 1.36Å | Aromatic |
O02 | C14 | doub | 1.22Å | 1.23Å | |
N02 | C03 | sing | 1.34Å | 1.40Å | |
C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
C06 | C05 | doub | 1.35Å | 1.38Å | Aromatic |
C02 | C03 | sing | 1.46Å | 1.50Å | |
C02 | C05 | sing | 1.46Å | 1.44Å | Aromatic |
C13 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
C03 | O01 | doub | 1.22Å | 1.23Å | |
C14 | C11 | sing | 1.48Å | 1.51Å | |
C14 | N05 | sing | 1.35Å | 1.36Å | |
C05 | C07 | sing | 1.51Å | 1.51Å | |
C11 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
O03 | C21 | doub | 1.22Å | 1.25Å | |
O04 | C21 | sing | 1.35Å | 1.25Å | |
C21 | C16 | sing | 1.47Å | 1.52Å | |
C08 | C07 | sing | 1.51Å | 1.53Å | |
C08 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
C16 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
N05 | C15 | sing | 1.39Å | 1.44Å | |
C15 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C12 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C17 | H4 | sing | 1.08Å | 1.08Å | |
C18 | H5 | sing | 1.08Å | 1.08Å | |
C06 | H6 | sing | 1.08Å | 1.08Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C07 | H8 | sing | 1.09Å | 1.10Å | |
C09 | H9 | sing | 1.08Å | 1.08Å | |
C19 | H10 | sing | 1.08Å | 1.08Å | |
C20 | H11 | sing | 1.08Å | 1.08Å | |
N01 | H12 | sing | 0.97Å | 1.00Å | |
N03 | H13 | sing | 0.97Å | 1.00Å | |
N04 | H14 | sing | 0.97Å | 1.00Å | |
N04 | H15 | sing | 0.97Å | 1.00Å | |
N05 | H16 | sing | 0.97Å | 1.00Å | |
O04 | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N04 | C04 | N01 | 115.9° | 118.6° |
N04 | C04 | N02 | 120.5° | 118.6° |
C04 | N04 | H14 | 120.0° | 120.0° |
C04 | N04 | H15 | 120.0° | 120.0° |
C04 | N01 | C01 | 119.8° | 120.6° |
N01 | C04 | N02 | 123.6° | 122.8° |
C04 | N01 | H12 | 120.1° | 119.7° |
N01 | C01 | N03 | 129.4° | 134.1° |
N01 | C01 | C02 | 120.6° | 118.3° |
C01 | N01 | H12 | 120.2° | 119.7° |
C04 | N02 | C03 | 119.9° | 121.2° |
C01 | N03 | C06 | 107.8° | 110.1° |
N03 | C01 | C02 | 109.9° | 107.5° |
C01 | N03 | H13 | 126.1° | 124.9° |
N03 | C06 | C05 | 108.7° | 109.4° |
N03 | C06 | H6 | 125.7° | 125.3° |
C06 | N03 | H13 | 126.1° | 124.9° |
C01 | C02 | C03 | 117.6° | 118.6° |
C01 | C02 | C05 | 106.8° | 106.4° |
O02 | C14 | C11 | 119.1° | 120.0° |
O02 | C14 | N05 | 125.2° | 120.0° |
N02 | C03 | C02 | 118.5° | 118.5° |
N02 | C03 | O01 | 121.9° | 120.7° |
C13 | C12 | C11 | 120.8° | 119.9° |
C12 | C13 | C08 | 121.1° | 120.1° |
C13 | C12 | H2 | 119.6° | 120.0° |
C12 | C13 | H3 | 119.5° | 120.0° |
C12 | C11 | C14 | 119.9° | 120.2° |
C12 | C11 | C10 | 117.9° | 119.7° |
C11 | C12 | H2 | 119.6° | 120.1° |
C06 | C05 | C02 | 106.7° | 106.5° |
C06 | C05 | C07 | 126.1° | 126.7° |
C05 | C06 | H6 | 125.6° | 125.3° |
C03 | C02 | C05 | 135.5° | 135.0° |
C02 | C03 | O01 | 119.6° | 120.8° |
C02 | C05 | C07 | 127.2° | 126.8° |
C13 | C08 | C07 | 120.9° | 119.9° |
C13 | C08 | C09 | 118.2° | 120.3° |
C08 | C13 | H3 | 119.4° | 119.9° |
C11 | C14 | N05 | 115.7° | 120.0° |
C14 | C11 | C10 | 122.2° | 120.1° |
C14 | N05 | C15 | 134.8° | 120.0° |
C14 | N05 | H16 | 112.6° | 120.0° |
C05 | C07 | C08 | 111.9° | 109.4° |
C05 | C07 | H7 | 108.9° | 109.4° |
C05 | C07 | H8 | 108.9° | 109.5° |
C11 | C10 | C09 | 121.2° | 119.8° |
C11 | C10 | H1 | 119.4° | 120.0° |
O03 | C21 | O04 | 120.0° | 120.0° |
O03 | C21 | C16 | 119.3° | 120.0° |
O04 | C21 | C16 | 120.7° | 120.0° |
C21 | O04 | H17 | 109.5° | 117.0° |
C21 | C16 | C15 | 126.1° | 120.2° |
C21 | C16 | C17 | 115.9° | 120.2° |
C07 | C08 | C09 | 120.9° | 119.9° |
C08 | C07 | H7 | 108.9° | 109.5° |
C08 | C07 | H8 | 108.9° | 109.5° |
C08 | C09 | C10 | 120.7° | 120.2° |
C08 | C09 | H9 | 119.6° | 120.0° |
C15 | C16 | C17 | 118.1° | 119.6° |
C16 | C15 | N05 | 123.1° | 120.2° |
C16 | C15 | C20 | 118.2° | 119.7° |
C16 | C17 | C18 | 122.4° | 120.0° |
C16 | C17 | H4 | 118.8° | 120.0° |
N05 | C15 | C20 | 118.7° | 120.2° |
C15 | N05 | H16 | 112.6° | 120.0° |
C15 | C20 | C19 | 122.5° | 120.1° |
C15 | C20 | H11 | 118.7° | 119.9° |
C17 | C18 | C19 | 119.5° | 120.3° |
C18 | C17 | H4 | 118.8° | 120.0° |
C17 | C18 | H5 | 120.3° | 119.9° |
C18 | C19 | C20 | 119.3° | 120.4° |
C19 | C18 | H5 | 120.2° | 119.8° |
C18 | C19 | H10 | 120.4° | 119.8° |
C20 | C19 | H10 | 120.4° | 119.8° |
C19 | C20 | H11 | 118.7° | 120.0° |
C09 | C10 | H1 | 119.4° | 120.1° |
C10 | C09 | H9 | 119.7° | 119.9° |
H7 | C07 | H8 | 109.5° | 109.5° |
H14 | N04 | H15 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N04 | C04 | N01 | N02 | 179.9° | 180.0° |
N04 | C04 | N01 | C01 | 179.9° | 180.0° |
N04 | C04 | N02 | C03 | 180.0° | 180.0° |
N04 | C04 | N01 | H12 | 0.1° | 0.0° |
C04 | N04 | H14 | H15 | 180.0° | 180.0° |
C04 | N01 | C01 | H12 | 180.0° | 179.9° |
C04 | N01 | C01 | N03 | 180.0° | 179.7° |
C04 | N01 | C01 | C02 | 0.1° | 0.1° |
N01 | C04 | N02 | C03 | 0.1° | 0.0° |
N01 | C04 | N04 | H14 | 179.9° | 180.0° |
N01 | C04 | N04 | H15 | 0.1° | 0.1° |
C01 | N01 | C04 | N02 | 0.2° | 0.0° |
N01 | C01 | N03 | C02 | 179.8° | 179.7° |
N01 | C01 | N03 | C06 | 179.9° | 180.0° |
N01 | C01 | C02 | C03 | 0.5° | 0.1° |
N01 | C01 | C02 | C05 | 179.5° | 180.0° |
N01 | C01 | N03 | H13 | 0.1° | 0.3° |
C04 | N02 | C03 | C02 | 0.2° | 0.0° |
C04 | N02 | C03 | O01 | 179.9° | 180.0° |
N02 | C04 | N01 | H12 | 179.8° | 179.9° |
N02 | C04 | N04 | H14 | 0.0° | 0.0° |
N02 | C04 | N04 | H15 | 180.0° | 180.0° |
C01 | N03 | C06 | H13 | 180.0° | 179.7° |
C01 | N03 | C06 | C05 | 0.6° | 0.4° |
N03 | C01 | C02 | C03 | 179.7° | 179.8° |
N03 | C01 | C02 | C05 | 0.6° | 0.2° |
C01 | N03 | C06 | H6 | 179.4° | 179.9° |
N03 | C01 | N01 | H12 | 0.0° | 0.4° |
C06 | N03 | C01 | C02 | 0.1° | 0.4° |
N03 | C06 | C05 | H6 | 180.0° | 179.8° |
N03 | C06 | C05 | C02 | 0.9° | 0.2° |
N03 | C06 | C05 | C07 | 178.6° | 179.8° |
C01 | C02 | C03 | N02 | 0.5° | 0.0° |
C01 | C02 | C05 | C06 | 0.9° | 0.0° |
C01 | C02 | C03 | C05 | 178.7° | 180.0° |
C01 | C02 | C03 | O01 | 179.8° | 180.0° |
C01 | C02 | C05 | C07 | 178.6° | 180.0° |
C02 | C01 | N01 | H12 | 179.9° | 180.0° |
C02 | C01 | N03 | H13 | 179.9° | 180.0° |
O02 | C14 | C11 | C12 | 2.5° | 179.9° |
O02 | C14 | C11 | N05 | 179.8° | 179.9° |
O02 | C14 | C11 | C10 | 177.4° | 0.1° |
O02 | C14 | N05 | C15 | 1.3° | 4.4° |
O02 | C14 | N05 | H16 | 178.7° | 175.5° |
N02 | C03 | C02 | O01 | 179.7° | 180.0° |
N02 | C03 | C02 | C05 | 179.2° | 180.0° |
C13 | C12 | C11 | H2 | 180.0° | 180.0° |
C12 | C13 | C08 | H3 | 180.0° | 180.0° |
C13 | C12 | C11 | C14 | 180.0° | 180.0° |
C13 | C12 | C11 | C10 | 0.1° | 0.0° |
C12 | C13 | C08 | C07 | 179.7° | 180.0° |
C12 | C13 | C08 | C09 | 0.4° | 0.1° |
C11 | C12 | C13 | C08 | 0.1° | 0.0° |
C12 | C11 | C14 | C10 | 179.9° | 180.0° |
C12 | C11 | C14 | N05 | 177.8° | 0.0° |
C12 | C11 | C10 | C09 | 0.1° | 0.0° |
C12 | C11 | C10 | H1 | 179.9° | 179.7° |
C11 | C12 | C13 | H3 | 180.0° | 180.0° |
C06 | C05 | C02 | C03 | 179.8° | 180.0° |
C06 | C05 | C02 | C07 | 177.7° | 180.0° |
C06 | C05 | C07 | C08 | 119.4° | 95.1° |
C06 | C05 | C07 | H7 | 1.0° | 24.9° |
C06 | C05 | C07 | H8 | 120.3° | 144.9° |
C05 | C06 | N03 | H13 | 179.5° | 180.0° |
C03 | C02 | C05 | C07 | 2.6° | 0.0° |
C05 | C02 | C03 | O01 | 1.1° | 0.0° |
C02 | C05 | C07 | C08 | 57.9° | 85.0° |
C02 | C05 | C06 | H6 | 179.1° | 180.0° |
C02 | C05 | C07 | H7 | 178.2° | 155.0° |
C02 | C05 | C07 | H8 | 62.5° | 35.0° |
C13 | C08 | C07 | C05 | 29.6° | 90.0° |
C13 | C08 | C07 | C09 | 179.3° | 180.0° |
C13 | C08 | C09 | C10 | 0.5° | 0.1° |
C08 | C13 | C12 | H2 | 179.9° | 180.0° |
C13 | C08 | C07 | H7 | 90.8° | 29.9° |
C13 | C08 | C07 | H8 | 149.9° | 150.0° |
C13 | C08 | C09 | H9 | 179.5° | 179.8° |
C11 | C14 | N05 | C15 | 178.5° | 175.5° |
C14 | C11 | C10 | C09 | 179.8° | 180.0° |
C14 | C11 | C10 | H1 | 0.2° | 0.3° |
C14 | C11 | C12 | H2 | 0.1° | 0.0° |
C11 | C14 | N05 | H16 | 1.5° | 4.6° |
N05 | C14 | C11 | C10 | 2.4° | 179.9° |
C14 | N05 | C15 | C16 | 77.5° | 144.6° |
C14 | N05 | C15 | H16 | 180.0° | 179.9° |
C14 | N05 | C15 | C20 | 103.9° | 35.2° |
C05 | C07 | C08 | H7 | 120.4° | 120.0° |
C05 | C07 | C08 | H8 | 120.3° | 120.0° |
C05 | C07 | C08 | C09 | 149.8° | 90.0° |
C07 | C05 | C06 | H6 | 1.3° | 0.1° |
C05 | C07 | H7 | H8 | 118.9° | 120.0° |
C11 | C10 | C09 | C08 | 0.4° | 0.0° |
C11 | C10 | C09 | H1 | 180.0° | 179.7° |
C10 | C11 | C12 | H2 | 179.9° | 180.0° |
C11 | C10 | C09 | H9 | 179.6° | 179.8° |
O03 | C21 | O04 | C16 | 179.5° | 180.0° |
O03 | C21 | C16 | C15 | 4.2° | 5.3° |
O03 | C21 | C16 | C17 | 175.2° | 174.6° |
O03 | C21 | O04 | H17 | 0.0° | 0.0° |
O04 | C21 | C16 | C15 | 175.3° | 174.6° |
O04 | C21 | C16 | C17 | 5.2° | 5.4° |
C21 | C16 | C15 | C17 | 179.5° | 179.9° |
C21 | C16 | C15 | N05 | 1.1° | 0.2° |
C21 | C16 | C15 | C20 | 179.7° | 180.0° |
C21 | C16 | C17 | C18 | 180.0° | 180.0° |
C21 | C16 | C17 | H4 | 0.0° | 0.1° |
C16 | C21 | O04 | H17 | 179.5° | 180.0° |
C07 | C08 | C09 | C10 | 179.9° | 180.0° |
C07 | C08 | C13 | H3 | 0.3° | 0.0° |
C08 | C07 | H7 | H8 | 118.9° | 120.0° |
C07 | C08 | C09 | H9 | 0.1° | 0.2° |
C08 | C09 | C10 | H9 | 180.0° | 179.8° |
C08 | C09 | C10 | H1 | 179.6° | 179.7° |
C09 | C08 | C13 | H3 | 179.7° | 180.0° |
C09 | C08 | C07 | H7 | 89.8° | 150.1° |
C09 | C08 | C07 | H8 | 29.4° | 30.1° |
C16 | C15 | N05 | C20 | 178.6° | 179.8° |
C15 | C16 | C17 | C18 | 0.5° | 0.1° |
C16 | C15 | C20 | C19 | 1.0° | 0.1° |
C15 | C16 | C17 | H4 | 179.5° | 180.0° |
C16 | C15 | C20 | H11 | 179.0° | 180.0° |
C16 | C15 | N05 | H16 | 102.5° | 35.5° |
C17 | C16 | C15 | N05 | 179.5° | 179.7° |
C17 | C16 | C15 | C20 | 0.9° | 0.1° |
C16 | C17 | C18 | H4 | 180.0° | 179.9° |
C16 | C17 | C18 | C19 | 0.2° | 0.0° |
C16 | C17 | C18 | H5 | 179.8° | 180.0° |
N05 | C15 | C20 | C19 | 179.7° | 179.7° |
N05 | C15 | C20 | H11 | 0.3° | 0.2° |
C15 | C20 | C19 | C18 | 0.7° | 0.0° |
C15 | C20 | C19 | H11 | 180.0° | 180.0° |
C15 | C20 | C19 | H10 | 179.3° | 180.0° |
C20 | C15 | N05 | H16 | 76.1° | 144.7° |
C17 | C18 | C19 | H5 | 180.0° | 179.9° |
C17 | C18 | C19 | C20 | 0.3° | 0.0° |
C17 | C18 | C19 | H10 | 179.7° | 179.9° |
C18 | C19 | C20 | H10 | 180.0° | 180.0° |
C19 | C18 | C17 | H4 | 179.8° | 179.9° |
C18 | C19 | C20 | H11 | 179.3° | 179.9° |
C20 | C19 | C18 | H5 | 179.7° | 180.0° |
H1 | C10 | C09 | H9 | 0.4° | 0.1° |
H2 | C12 | C13 | H3 | 0.1° | 0.0° |
H4 | C17 | C18 | H5 | 0.2° | 0.0° |
H5 | C18 | C19 | H10 | 0.3° | 0.0° |
H6 | C06 | N03 | H13 | 0.6° | 0.2° |
H10 | C19 | C20 | H11 | 0.7° | 0.1° |