QP7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O16 | C15 | sing | 1.43Å | 1.38Å | |
C15 | C14 | sing | 1.53Å | 1.54Å | |
C14 | C13 | sing | 1.53Å | 1.55Å | |
C13 | C11 | sing | 1.51Å | 1.55Å | |
C11 | N12 | doub | 1.30Å | 1.30Å | Aromatic |
C11 | N10 | sing | 1.35Å | 1.32Å | Aromatic |
N12 | C08 | sing | 1.35Å | 1.28Å | Aromatic |
N10 | C09 | sing | 1.38Å | 1.28Å | Aromatic |
C31 | C29 | doub | 1.38Å | 1.52Å | Aromatic |
C31 | C30 | sing | 1.38Å | 1.51Å | Aromatic |
C08 | C09 | doub | 1.39Å | 1.31Å | Aromatic |
C08 | C06 | sing | 1.48Å | 1.50Å | |
C09 | C20 | sing | 1.47Å | 1.52Å | |
C29 | C26 | sing | 1.40Å | 1.50Å | Aromatic |
C30 | C28 | doub | 1.38Å | 1.51Å | Aromatic |
C01 | C06 | doub | 1.39Å | 1.48Å | Aromatic |
C01 | C02 | sing | 1.38Å | 1.49Å | Aromatic |
C23 | C19 | sing | 1.41Å | 1.32Å | Aromatic |
C23 | C25 | doub | 1.36Å | 1.36Å | Aromatic |
C06 | C05 | sing | 1.40Å | 1.51Å | Aromatic |
C20 | C19 | doub | 1.41Å | 1.51Å | Aromatic |
C20 | C21 | sing | 1.40Å | 1.45Å | Aromatic |
C26 | C25 | sing | 1.48Å | 1.49Å | |
C26 | C27 | doub | 1.40Å | 1.50Å | Aromatic |
C19 | C18 | sing | 1.41Å | 1.35Å | Aromatic |
C25 | N24 | sing | 1.38Å | 1.32Å | Aromatic |
C28 | C27 | sing | 1.38Å | 1.52Å | Aromatic |
C02 | C03 | doub | 1.39Å | 1.49Å | Aromatic |
C21 | C22 | doub | 1.38Å | 1.45Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.49Å | Aromatic |
C18 | N24 | sing | 1.38Å | 1.30Å | Aromatic |
C18 | N17 | doub | 1.33Å | 1.48Å | Aromatic |
C03 | C04 | sing | 1.39Å | 1.49Å | Aromatic |
C03 | F07 | sing | 1.35Å | 1.31Å | |
C22 | N17 | sing | 1.32Å | 1.42Å | Aromatic |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C14 | H3 | sing | 1.09Å | 1.10Å | |
C14 | H4 | sing | 1.09Å | 1.10Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.09Å | 1.10Å | |
C23 | H7 | sing | 1.08Å | 1.08Å | |
C27 | H8 | sing | 1.08Å | 1.08Å | |
C28 | H9 | sing | 1.08Å | 1.08Å | |
C29 | H10 | sing | 1.08Å | 1.08Å | |
C30 | H11 | sing | 1.08Å | 1.08Å | |
C31 | H12 | sing | 1.08Å | 1.08Å | |
C01 | H13 | sing | 1.08Å | 1.08Å | |
C02 | H14 | sing | 1.08Å | 1.08Å | |
C04 | H15 | sing | 1.08Å | 1.08Å | |
C05 | H16 | sing | 1.08Å | 1.08Å | |
C21 | H17 | sing | 1.08Å | 1.08Å | |
C22 | H18 | sing | 1.08Å | 1.08Å | |
N10 | H19 | sing | 0.97Å | 1.00Å | |
N24 | H21 | sing | 0.97Å | 1.00Å | |
O16 | H22 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O16 | C15 | C14 | 114.4° | 109.4° |
O16 | C15 | H5 | 108.2° | 109.5° |
O16 | C15 | H6 | 108.2° | 109.5° |
C15 | O16 | H22 | 109.5° | 114.0° |
C15 | C14 | C13 | 110.9° | 109.5° |
C15 | C14 | H3 | 109.1° | 109.5° |
C15 | C14 | H4 | 109.1° | 109.5° |
C14 | C15 | H5 | 108.2° | 109.5° |
C14 | C15 | H6 | 108.2° | 109.5° |
C14 | C13 | C11 | 119.6° | 109.5° |
C14 | C13 | H1 | 106.9° | 109.5° |
C14 | C13 | H2 | 106.9° | 109.5° |
C13 | C14 | H3 | 109.1° | 109.5° |
C13 | C14 | H4 | 109.1° | 109.5° |
C13 | C11 | N12 | 129.9° | 125.2° |
C13 | C11 | N10 | 126.3° | 125.2° |
C11 | C13 | H1 | 106.9° | 109.5° |
C11 | C13 | H2 | 106.9° | 109.4° |
N12 | C11 | N10 | 103.8° | 109.6° |
C11 | N12 | C08 | 110.5° | 109.6° |
C11 | N10 | C09 | 111.3° | 107.4° |
C11 | N10 | H19 | 124.4° | 126.3° |
N12 | C08 | C09 | 108.3° | 107.3° |
N12 | C08 | C06 | 126.6° | 126.3° |
N10 | C09 | C08 | 106.1° | 106.1° |
N10 | C09 | C20 | 126.6° | 126.9° |
C09 | N10 | H19 | 124.4° | 126.3° |
C29 | C31 | C30 | 120.5° | 120.2° |
C31 | C29 | C26 | 119.2° | 119.8° |
C31 | C29 | H10 | 120.4° | 120.1° |
C29 | C31 | H12 | 119.7° | 119.9° |
C31 | C30 | C28 | 119.7° | 120.3° |
C31 | C30 | H11 | 120.2° | 119.9° |
C30 | C31 | H12 | 119.8° | 120.0° |
C09 | C08 | C06 | 125.1° | 126.4° |
C08 | C09 | C20 | 127.2° | 126.9° |
C08 | C06 | C01 | 116.9° | 120.1° |
C08 | C06 | C05 | 122.7° | 120.1° |
C09 | C20 | C19 | 123.9° | 121.1° |
C09 | C20 | C21 | 118.2° | 121.1° |
C29 | C26 | C25 | 122.0° | 120.2° |
C29 | C26 | C27 | 120.7° | 119.7° |
C26 | C29 | H10 | 120.4° | 120.1° |
C30 | C28 | C27 | 119.3° | 120.1° |
C30 | C28 | H9 | 120.3° | 119.9° |
C28 | C30 | H11 | 120.2° | 119.8° |
C06 | C01 | C02 | 118.2° | 119.9° |
C01 | C06 | C05 | 120.4° | 119.7° |
C06 | C01 | H13 | 120.9° | 120.0° |
C01 | C02 | C03 | 120.5° | 120.1° |
C02 | C01 | H13 | 120.9° | 120.0° |
C01 | C02 | H14 | 119.7° | 119.9° |
C19 | C23 | C25 | 105.6° | 107.6° |
C23 | C19 | C20 | 132.4° | 133.7° |
C23 | C19 | C18 | 107.8° | 107.2° |
C19 | C23 | H7 | 127.2° | 126.1° |
C23 | C25 | C26 | 127.4° | 125.4° |
C23 | C25 | N24 | 110.1° | 109.2° |
C25 | C23 | H7 | 127.2° | 126.2° |
C06 | C05 | C04 | 122.0° | 119.9° |
C06 | C05 | H16 | 119.0° | 120.0° |
C19 | C20 | C21 | 117.9° | 117.8° |
C20 | C19 | C18 | 119.7° | 119.1° |
C20 | C21 | C22 | 121.6° | 119.3° |
C20 | C21 | H17 | 119.2° | 120.4° |
C25 | C26 | C27 | 117.3° | 120.1° |
C26 | C25 | N24 | 122.5° | 125.4° |
C26 | C27 | C28 | 120.5° | 119.9° |
C26 | C27 | H8 | 119.7° | 120.0° |
C19 | C18 | N24 | 109.8° | 107.1° |
C19 | C18 | N17 | 122.1° | 120.1° |
C25 | N24 | C18 | 106.6° | 108.9° |
C25 | N24 | H21 | 126.7° | 125.6° |
C28 | C27 | H8 | 119.8° | 120.1° |
C27 | C28 | H9 | 120.3° | 120.0° |
C02 | C03 | C04 | 122.5° | 120.3° |
C02 | C03 | F07 | 117.2° | 119.9° |
C03 | C02 | H14 | 119.7° | 120.0° |
C21 | C22 | N17 | 118.2° | 121.7° |
C22 | C21 | H17 | 119.2° | 120.3° |
C21 | C22 | H18 | 120.9° | 119.2° |
C05 | C04 | C03 | 116.4° | 120.1° |
C05 | C04 | H15 | 121.8° | 119.9° |
C04 | C05 | H16 | 119.0° | 120.1° |
N24 | C18 | N17 | 128.1° | 132.9° |
C18 | N24 | H21 | 126.7° | 125.5° |
C18 | N17 | C22 | 120.6° | 122.1° |
C04 | C03 | F07 | 120.3° | 119.9° |
C03 | C04 | H15 | 121.8° | 120.0° |
N17 | C22 | H18 | 120.9° | 119.1° |
H1 | C13 | H2 | 109.4° | 109.5° |
H3 | C14 | H4 | 109.4° | 109.5° |
H5 | C15 | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O16 | C15 | C14 | H5 | 120.7° | 120.0° |
O16 | C15 | C14 | H6 | 120.7° | 120.0° |
O16 | C15 | C14 | C13 | 157.8° | 180.0° |
O16 | C15 | C14 | H3 | 37.5° | 60.0° |
O16 | C15 | C14 | H4 | 82.0° | 60.0° |
O16 | C15 | H5 | H6 | 117.7° | 120.0° |
C15 | C14 | C13 | H3 | 120.2° | 120.0° |
C15 | C14 | C13 | H4 | 120.3° | 120.0° |
C15 | C14 | C13 | C11 | 171.3° | 180.0° |
C15 | C14 | C13 | H1 | 49.9° | 60.0° |
C15 | C14 | C13 | H2 | 67.2° | 60.0° |
C15 | C14 | H3 | H4 | 119.3° | 120.0° |
C14 | C15 | H5 | H6 | 117.8° | 120.0° |
C14 | C15 | O16 | H22 | 180.0° | 180.0° |
C14 | C13 | C11 | H1 | 121.4° | 120.0° |
C14 | C13 | C11 | H2 | 121.4° | 120.0° |
C14 | C13 | C11 | N12 | 22.3° | 55.0° |
C14 | C13 | C11 | N10 | 157.7° | 125.3° |
C14 | C13 | H1 | H2 | 115.4° | 120.0° |
C13 | C14 | H3 | H4 | 119.3° | 120.0° |
C13 | C14 | C15 | H5 | 81.5° | 60.0° |
C13 | C14 | C15 | H6 | 37.1° | 60.0° |
C13 | C11 | N12 | N10 | 180.0° | 179.7° |
C13 | C11 | N12 | C08 | 179.3° | 179.7° |
C13 | C11 | N10 | C09 | 178.6° | 179.8° |
C11 | C13 | H1 | H2 | 115.4° | 119.9° |
C11 | C13 | C14 | H3 | 68.5° | 60.0° |
C11 | C13 | C14 | H4 | 51.1° | 60.0° |
C13 | C11 | N10 | H19 | 1.4° | 0.3° |
N12 | C11 | N10 | C09 | 1.4° | 0.1° |
C11 | N12 | C08 | C09 | 0.2° | 0.0° |
C11 | N12 | C08 | C06 | 178.4° | 180.0° |
N12 | C11 | C13 | H1 | 143.7° | 65.0° |
N12 | C11 | C13 | H2 | 99.2° | 175.1° |
N12 | C11 | N10 | H19 | 178.6° | 180.0° |
N10 | C11 | N12 | C08 | 0.7° | 0.0° |
C11 | N10 | C09 | H19 | 180.0° | 179.9° |
C11 | N10 | C09 | C08 | 1.5° | 0.1° |
C11 | N10 | C09 | C20 | 177.6° | 180.0° |
N10 | C11 | C13 | H1 | 36.3° | 114.7° |
N10 | C11 | C13 | H2 | 80.8° | 5.3° |
N12 | C08 | C09 | N10 | 1.0° | 0.1° |
N12 | C08 | C09 | C06 | 178.6° | 179.9° |
N12 | C08 | C09 | C20 | 177.1° | 180.0° |
N12 | C08 | C06 | C01 | 54.8° | 138.6° |
N12 | C08 | C06 | C05 | 127.0° | 41.5° |
N10 | C09 | C08 | C20 | 176.1° | 179.9° |
N10 | C09 | C08 | C06 | 177.6° | 180.0° |
N10 | C09 | C20 | C19 | 32.3° | 114.3° |
N10 | C09 | C20 | C21 | 144.7° | 65.7° |
C29 | C31 | C30 | H12 | 180.0° | 179.9° |
C31 | C29 | C26 | H10 | 180.0° | 179.9° |
C29 | C31 | C30 | C28 | 1.6° | 0.2° |
C31 | C29 | C26 | C25 | 179.2° | 180.0° |
C31 | C29 | C26 | C27 | 1.1° | 0.3° |
C29 | C31 | C30 | H11 | 178.4° | 179.9° |
C30 | C31 | C29 | C26 | 1.7° | 0.0° |
C31 | C30 | C28 | H11 | 180.0° | 179.8° |
C31 | C30 | C28 | C27 | 0.8° | 0.2° |
C31 | C30 | C28 | H9 | 179.3° | 179.8° |
C30 | C31 | C29 | H10 | 178.3° | 179.9° |
C09 | C08 | C06 | C01 | 123.6° | 41.5° |
C09 | C08 | C06 | C05 | 54.7° | 138.4° |
C08 | C09 | C20 | C19 | 152.4° | 65.7° |
C08 | C09 | C20 | C21 | 30.6° | 114.2° |
C08 | C09 | N10 | H19 | 178.5° | 180.0° |
C06 | C08 | C09 | C20 | 1.5° | 0.1° |
C08 | C06 | C01 | C05 | 178.3° | 179.9° |
C08 | C06 | C01 | C02 | 178.6° | 180.0° |
C08 | C06 | C05 | C04 | 178.2° | 179.9° |
C08 | C06 | C01 | H13 | 1.4° | 0.3° |
C08 | C06 | C05 | H16 | 1.7° | 0.1° |
C09 | C20 | C19 | C23 | 3.6° | 0.1° |
C09 | C20 | C19 | C21 | 177.0° | 179.9° |
C09 | C20 | C19 | C18 | 177.8° | 180.0° |
C09 | C20 | C21 | C22 | 178.0° | 180.0° |
C09 | C20 | C21 | H17 | 2.0° | 0.1° |
C20 | C09 | N10 | H19 | 2.4° | 0.1° |
C29 | C26 | C25 | C23 | 5.5° | 0.2° |
C29 | C26 | C25 | C27 | 179.7° | 179.8° |
C29 | C26 | C25 | N24 | 175.8° | 179.7° |
C29 | C26 | C27 | C28 | 0.2° | 0.3° |
C29 | C26 | C27 | H8 | 179.8° | 179.8° |
C26 | C29 | C31 | H12 | 178.3° | 179.9° |
C30 | C28 | C27 | C26 | 0.1° | 0.0° |
C30 | C28 | C27 | H9 | 180.0° | 180.0° |
C30 | C28 | C27 | H8 | 179.9° | 180.0° |
C28 | C30 | C31 | H12 | 178.4° | 179.7° |
C06 | C01 | C02 | H13 | 180.0° | 179.7° |
C06 | C01 | C02 | C03 | 0.2° | 0.1° |
C01 | C06 | C05 | C04 | 0.0° | 0.0° |
C06 | C01 | C02 | H14 | 179.9° | 180.0° |
C01 | C06 | C05 | H16 | 179.9° | 180.0° |
C02 | C01 | C06 | C05 | 0.3° | 0.1° |
C01 | C02 | C03 | H14 | 180.0° | 179.9° |
C01 | C02 | C03 | C04 | 0.3° | 0.0° |
C01 | C02 | C03 | F07 | 179.9° | 179.9° |
C19 | C23 | C25 | H7 | 180.0° | 179.7° |
C23 | C19 | C20 | C18 | 178.6° | 179.9° |
C23 | C19 | C20 | C21 | 179.4° | 180.0° |
C19 | C23 | C25 | C26 | 178.8° | 180.0° |
C19 | C23 | C25 | N24 | 0.0° | 0.5° |
C23 | C19 | C18 | N24 | 0.9° | 0.0° |
C23 | C19 | C18 | N17 | 179.4° | 179.7° |
C25 | C23 | C19 | C20 | 179.2° | 179.8° |
C23 | C25 | C26 | N24 | 178.6° | 179.5° |
C23 | C25 | C26 | C27 | 174.2° | 179.9° |
C25 | C23 | C19 | C18 | 0.5° | 0.3° |
C23 | C25 | N24 | C18 | 0.5° | 0.5° |
C23 | C25 | N24 | H21 | 179.5° | 179.6° |
C06 | C05 | C04 | H16 | 180.0° | 180.0° |
C06 | C05 | C04 | C03 | 0.4° | 0.1° |
C05 | C06 | C01 | H13 | 179.7° | 179.8° |
C06 | C05 | C04 | H15 | 179.6° | 180.0° |
C19 | C20 | C21 | C22 | 0.9° | 0.1° |
C20 | C19 | C18 | N24 | 179.8° | 179.9° |
C20 | C19 | C18 | N17 | 0.5° | 0.2° |
C20 | C19 | C23 | H7 | 0.7° | 0.1° |
C19 | C20 | C21 | H17 | 179.2° | 180.0° |
C21 | C20 | C19 | C18 | 0.8° | 0.1° |
C20 | C21 | C22 | H17 | 180.0° | 179.9° |
C20 | C21 | C22 | N17 | 0.5° | 0.2° |
C20 | C21 | C22 | H18 | 179.6° | 180.0° |
C25 | C26 | C27 | C28 | 180.0° | 180.0° |
C26 | C25 | N24 | C18 | 179.4° | 179.9° |
C26 | C25 | C23 | H7 | 1.3° | 0.2° |
C25 | C26 | C27 | H8 | 0.0° | 0.0° |
C25 | C26 | C29 | H10 | 0.8° | 0.1° |
C26 | C25 | N24 | H21 | 0.6° | 0.0° |
C27 | C26 | C25 | N24 | 4.4° | 0.5° |
C26 | C27 | C28 | H8 | 180.0° | 180.0° |
C26 | C27 | C28 | H9 | 179.9° | 180.0° |
C27 | C26 | C29 | H10 | 178.9° | 179.6° |
C19 | C18 | N24 | C25 | 0.8° | 0.3° |
C19 | C18 | N24 | N17 | 179.8° | 179.7° |
C19 | C18 | N17 | C22 | 0.0° | 0.5° |
C18 | C19 | C23 | H7 | 179.5° | 180.0° |
C19 | C18 | N24 | H21 | 179.2° | 179.7° |
C25 | N24 | C18 | H21 | 180.0° | 180.0° |
C25 | N24 | C18 | N17 | 179.4° | 180.0° |
N24 | C25 | C23 | H7 | 180.0° | 179.8° |
C27 | C28 | C30 | H11 | 179.2° | 179.9° |
C02 | C03 | C04 | C05 | 0.6° | 0.1° |
C02 | C03 | C04 | F07 | 179.6° | 179.9° |
C03 | C02 | C01 | H13 | 179.8° | 179.8° |
C02 | C03 | C04 | H15 | 179.5° | 180.0° |
C21 | C22 | N17 | C18 | 0.0° | 0.5° |
C21 | C22 | N17 | H18 | 180.0° | 179.8° |
C05 | C04 | C03 | H15 | 180.0° | 180.0° |
C05 | C04 | C03 | F07 | 179.8° | 180.0° |
N24 | C18 | N17 | C22 | 179.8° | 179.9° |
C18 | N17 | C22 | H18 | 180.0° | 179.7° |
N17 | C18 | N24 | H21 | 0.6° | 0.0° |
C04 | C03 | C02 | H14 | 179.7° | 179.9° |
C03 | C04 | C05 | H16 | 179.6° | 179.9° |
F07 | C03 | C02 | H14 | 0.1° | 0.0° |
F07 | C03 | C04 | H15 | 0.1° | 0.0° |
N17 | C22 | C21 | H17 | 179.5° | 179.7° |
H1 | C13 | C14 | H3 | 170.1° | 180.0° |
H1 | C13 | C14 | H4 | 70.4° | 60.0° |
H2 | C13 | C14 | H3 | 53.0° | 60.0° |
H2 | C13 | C14 | H4 | 172.5° | 180.0° |
H3 | C14 | C15 | H5 | 158.3° | 180.0° |
H3 | C14 | C15 | H6 | 83.2° | 60.0° |
H4 | C14 | C15 | H5 | 38.7° | 60.0° |
H4 | C14 | C15 | H6 | 157.3° | 180.0° |
H5 | C15 | O16 | H22 | 59.2° | 60.0° |
H6 | C15 | O16 | H22 | 59.3° | 60.0° |
H8 | C27 | C28 | H9 | 0.1° | 0.0° |
H9 | C28 | C30 | H11 | 0.8° | 0.0° |
H10 | C29 | C31 | H12 | 1.7° | 0.0° |
H11 | C30 | C31 | H12 | 1.6° | 0.2° |
H13 | C01 | C02 | H14 | 0.2° | 0.3° |
H15 | C04 | C05 | H16 | 0.3° | 0.0° |
H17 | C21 | C22 | H18 | 0.4° | 0.1° |