FI7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C28 | sing | 1.53Å | 1.65Å | |
C27 | C26 | sing | 1.53Å | 1.37Å | |
C28 | C20 | sing | 1.50Å | 1.44Å | |
C26 | C25 | sing | 1.53Å | 1.65Å | |
C01 | C02 | sing | 1.53Å | 1.54Å | |
C20 | N19 | sing | 1.37Å | 1.47Å | |
C20 | C21 | doub | 1.33Å | 1.60Å | |
N19 | C17 | sing | 1.35Å | 1.49Å | |
C25 | C21 | sing | 1.50Å | 1.43Å | |
C21 | C22 | sing | 1.42Å | 1.55Å | |
C17 | C02 | sing | 1.51Å | 1.56Å | |
C17 | O18 | doub | 1.21Å | 1.19Å | |
C02 | C03 | sing | 1.53Å | 1.53Å | |
C02 | C04 | sing | 1.53Å | 1.58Å | |
C22 | O23 | doub | 1.22Å | 1.26Å | |
C22 | O24 | sing | 1.35Å | 1.27Å | |
O16 | N15 | sing | 1.21Å | 1.37Å | Aromatic |
O16 | C05 | sing | 1.34Å | 1.35Å | Aromatic |
C04 | C05 | sing | 1.51Å | 1.58Å | |
N15 | C07 | doub | 1.31Å | 1.32Å | Aromatic |
C05 | N06 | doub | 1.31Å | 1.32Å | Aromatic |
C07 | N06 | sing | 1.35Å | 1.31Å | Aromatic |
C07 | C08 | sing | 1.48Å | 1.39Å | |
C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
C08 | N14 | sing | 1.33Å | 1.32Å | Aromatic |
C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
N14 | C13 | doub | 1.32Å | 1.32Å | Aromatic |
C11 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | O12 | sing | 1.36Å | 1.38Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C26 | H5 | sing | 1.09Å | 1.10Å | |
C26 | H6 | sing | 1.09Å | 1.10Å | |
C28 | H7 | sing | 1.09Å | 1.10Å | |
C28 | H8 | sing | 1.09Å | 1.10Å | |
C01 | H9 | sing | 1.09Å | 1.10Å | |
C01 | H10 | sing | 1.09Å | 1.10Å | |
C01 | H11 | sing | 1.09Å | 1.10Å | |
C03 | H12 | sing | 1.09Å | 1.10Å | |
C03 | H13 | sing | 1.09Å | 1.10Å | |
C03 | H14 | sing | 1.09Å | 1.10Å | |
C04 | H15 | sing | 1.09Å | 1.10Å | |
C04 | H16 | sing | 1.09Å | 1.10Å | |
C09 | H17 | sing | 1.08Å | 1.08Å | |
C25 | H18 | sing | 1.09Å | 1.10Å | |
C25 | H19 | sing | 1.09Å | 1.10Å | |
C27 | H20 | sing | 1.09Å | 1.10Å | |
C27 | H21 | sing | 1.09Å | 1.10Å | |
N19 | H22 | sing | 0.97Å | 1.00Å | |
O12 | H23 | sing | 0.97Å | 0.95Å | |
O24 | H24 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C28 | C27 | C26 | 112.2° | 108.5° |
C27 | C28 | C20 | 112.7° | 110.1° |
C27 | C28 | H7 | 108.7° | 109.4° |
C27 | C28 | H8 | 108.6° | 109.2° |
C28 | C27 | H20 | 108.8° | 109.6° |
C28 | C27 | H21 | 108.8° | 109.6° |
C27 | C26 | C25 | 112.0° | 108.7° |
C27 | C26 | H5 | 108.8° | 109.6° |
C27 | C26 | H6 | 108.8° | 109.6° |
C26 | C27 | H20 | 108.8° | 109.7° |
C26 | C27 | H21 | 108.7° | 109.6° |
C28 | C20 | N19 | 119.5° | 118.2° |
C28 | C20 | C21 | 116.5° | 123.5° |
C20 | C28 | H7 | 108.7° | 109.4° |
C20 | C28 | H8 | 108.6° | 109.4° |
C26 | C25 | C21 | 112.9° | 110.1° |
C25 | C26 | H5 | 108.8° | 109.6° |
C25 | C26 | H6 | 108.9° | 109.6° |
C26 | C25 | H18 | 108.6° | 109.4° |
C26 | C25 | H19 | 108.6° | 109.3° |
C01 | C02 | C17 | 109.4° | 109.5° |
C01 | C02 | C03 | 109.6° | 109.4° |
C01 | C02 | C04 | 108.9° | 109.5° |
C02 | C01 | H9 | 109.5° | 109.5° |
C02 | C01 | H10 | 109.4° | 109.5° |
C02 | C01 | H11 | 109.5° | 109.4° |
N19 | C20 | C21 | 118.1° | 118.2° |
C20 | N19 | C17 | 121.1° | 120.0° |
C20 | N19 | H22 | 119.4° | 120.0° |
C20 | C21 | C25 | 117.5° | 123.6° |
C20 | C21 | C22 | 120.4° | 118.2° |
N19 | C17 | C02 | 117.8° | 120.0° |
N19 | C17 | O18 | 121.3° | 120.0° |
C17 | N19 | H22 | 119.5° | 120.0° |
C25 | C21 | C22 | 120.8° | 118.2° |
C21 | C25 | H18 | 108.6° | 109.2° |
C21 | C25 | H19 | 108.6° | 109.5° |
C21 | C22 | O23 | 119.5° | 120.0° |
C21 | C22 | O24 | 120.3° | 120.0° |
C02 | C17 | O18 | 120.9° | 120.0° |
C17 | C02 | C03 | 106.5° | 109.5° |
C17 | C02 | C04 | 111.4° | 109.5° |
C03 | C02 | C04 | 111.0° | 109.4° |
C02 | C03 | H12 | 109.5° | 109.5° |
C02 | C03 | H13 | 109.4° | 109.5° |
C02 | C03 | H14 | 109.5° | 109.5° |
C02 | C04 | C05 | 111.5° | 109.5° |
C02 | C04 | H15 | 109.0° | 109.5° |
C02 | C04 | H16 | 109.0° | 109.5° |
O23 | C22 | O24 | 120.2° | 120.0° |
C22 | O24 | H24 | 109.5° | 114.1° |
N15 | O16 | C05 | 106.8° | 110.1° |
O16 | N15 | C07 | 107.2° | 110.1° |
O16 | C05 | C04 | 127.7° | 126.5° |
O16 | C05 | N06 | 107.7° | 107.1° |
C04 | C05 | N06 | 124.6° | 126.4° |
C05 | C04 | H15 | 109.0° | 109.4° |
C05 | C04 | H16 | 109.0° | 109.5° |
N15 | C07 | N06 | 108.9° | 107.2° |
N15 | C07 | C08 | 128.6° | 126.4° |
C05 | N06 | C07 | 109.4° | 105.6° |
N06 | C07 | C08 | 122.5° | 126.4° |
C07 | C08 | C09 | 118.5° | 119.7° |
C07 | C08 | N14 | 119.0° | 119.6° |
C08 | C09 | C10 | 117.9° | 119.1° |
C09 | C08 | N14 | 122.5° | 120.7° |
C08 | C09 | H17 | 121.1° | 120.4° |
C09 | C10 | C11 | 118.3° | 118.5° |
C09 | C10 | H1 | 120.9° | 120.7° |
C10 | C09 | H17 | 121.1° | 120.4° |
C08 | N14 | C13 | 121.1° | 121.7° |
C10 | C11 | C13 | 120.6° | 119.2° |
C10 | C11 | O12 | 119.7° | 120.4° |
C11 | C10 | H1 | 120.9° | 120.8° |
N14 | C13 | C11 | 119.7° | 120.8° |
N14 | C13 | H2 | 120.2° | 119.6° |
C13 | C11 | O12 | 119.8° | 120.3° |
C11 | C13 | H2 | 120.1° | 119.6° |
C11 | O12 | H23 | 109.5° | 114.0° |
H5 | C26 | H6 | 109.5° | 109.7° |
H7 | C28 | H8 | 109.5° | 109.3° |
H9 | C01 | H10 | 109.4° | 109.5° |
H9 | C01 | H11 | 109.5° | 109.5° |
H10 | C01 | H11 | 109.5° | 109.5° |
H12 | C03 | H13 | 109.5° | 109.5° |
H12 | C03 | H14 | 109.4° | 109.4° |
H13 | C03 | H14 | 109.5° | 109.5° |
H15 | C04 | H16 | 109.5° | 109.4° |
H18 | C25 | H19 | 109.5° | 109.3° |
H20 | C27 | H21 | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C28 | C27 | C26 | H20 | 120.4° | 119.7° |
C28 | C27 | C26 | H21 | 120.4° | 119.6° |
C27 | C28 | C20 | H7 | 120.5° | 120.2° |
C27 | C28 | C20 | H8 | 120.5° | 120.0° |
C28 | C27 | C26 | C25 | 57.4° | 68.5° |
C27 | C28 | C20 | N19 | 169.9° | 162.6° |
C27 | C28 | C20 | C21 | 37.7° | 17.7° |
C28 | C27 | C26 | H5 | 177.8° | 171.8° |
C28 | C27 | C26 | H6 | 63.0° | 51.4° |
C27 | C28 | H7 | H8 | 118.5° | 119.6° |
C28 | C27 | H20 | H21 | 118.8° | 120.4° |
C26 | C27 | C28 | C20 | 53.3° | 50.2° |
C27 | C26 | C25 | H5 | 120.4° | 119.8° |
C27 | C26 | C25 | H6 | 120.4° | 119.8° |
C27 | C26 | C25 | C21 | 52.2° | 49.9° |
C27 | C26 | H5 | H6 | 118.8° | 120.4° |
C26 | C27 | C28 | H7 | 67.2° | 70.1° |
C26 | C27 | C28 | H8 | 173.8° | 170.3° |
C27 | C26 | C25 | H18 | 68.3° | 70.1° |
C27 | C26 | C25 | H19 | 172.7° | 170.2° |
C26 | C27 | H20 | H21 | 118.7° | 120.5° |
C28 | C20 | N19 | C21 | 151.9° | 179.7° |
C28 | C20 | N19 | C17 | 92.6° | 59.2° |
C28 | C20 | C21 | C25 | 34.4° | 0.9° |
C28 | C20 | C21 | C22 | 132.1° | 179.0° |
C20 | C28 | H7 | H8 | 118.5° | 119.8° |
C20 | C28 | C27 | H20 | 67.1° | 69.6° |
C20 | C28 | C27 | H21 | 173.7° | 169.8° |
C28 | C20 | N19 | H22 | 87.4° | 120.8° |
C26 | C25 | C21 | C20 | 37.1° | 17.4° |
C26 | C25 | C21 | H18 | 120.5° | 120.1° |
C26 | C25 | C21 | H19 | 120.5° | 120.2° |
C26 | C25 | C21 | C22 | 129.4° | 162.6° |
C25 | C26 | H5 | H6 | 118.9° | 120.4° |
C26 | C25 | H18 | H19 | 118.5° | 119.7° |
C25 | C26 | C27 | H20 | 63.0° | 51.3° |
C25 | C26 | C27 | H21 | 177.8° | 171.9° |
C01 | C02 | C17 | N19 | 76.2° | 60.0° |
C01 | C02 | C17 | C03 | 118.3° | 120.0° |
C01 | C02 | C17 | C04 | 120.5° | 120.0° |
C01 | C02 | C17 | O18 | 104.2° | 120.1° |
C01 | C02 | C03 | C04 | 120.4° | 120.0° |
C01 | C02 | C04 | C05 | 60.6° | 60.0° |
C02 | C01 | H9 | H10 | 120.0° | 120.0° |
C02 | C01 | H9 | H11 | 120.0° | 120.0° |
C02 | C01 | H10 | H11 | 120.0° | 119.9° |
C01 | C02 | C03 | H12 | 180.0° | 180.0° |
C01 | C02 | C03 | H13 | 60.0° | 60.0° |
C01 | C02 | C03 | H14 | 60.0° | 60.0° |
C01 | C02 | C04 | H15 | 59.7° | 180.0° |
C01 | C02 | C04 | H16 | 179.1° | 60.0° |
C20 | N19 | C17 | H22 | 180.0° | 179.9° |
N19 | C20 | C21 | C25 | 172.8° | 179.4° |
N19 | C20 | C21 | C22 | 20.7° | 0.6° |
C20 | N19 | C17 | C02 | 179.7° | 175.5° |
C20 | N19 | C17 | O18 | 0.1° | 4.5° |
N19 | C20 | C28 | H7 | 69.6° | 77.2° |
N19 | C20 | C28 | H8 | 49.5° | 42.6° |
C21 | C20 | N19 | C17 | 115.5° | 120.5° |
C20 | C21 | C25 | C22 | 166.5° | 179.9° |
C20 | C21 | C22 | O23 | 9.1° | 5.6° |
C20 | C21 | C22 | O24 | 170.6° | 174.4° |
C21 | C20 | C28 | H7 | 82.8° | 102.5° |
C21 | C20 | C28 | H8 | 158.1° | 137.7° |
C20 | C21 | C25 | H18 | 83.4° | 102.8° |
C20 | C21 | C25 | H19 | 157.6° | 137.6° |
C21 | C20 | N19 | H22 | 64.5° | 59.5° |
N19 | C17 | C02 | O18 | 179.6° | 180.0° |
N19 | C17 | C02 | C03 | 42.2° | 60.0° |
N19 | C17 | C02 | C04 | 163.4° | 180.0° |
C25 | C21 | C22 | O23 | 175.2° | 174.4° |
C25 | C21 | C22 | O24 | 4.6° | 5.7° |
C21 | C25 | C26 | H5 | 172.6° | 169.7° |
C21 | C25 | C26 | H6 | 68.2° | 69.9° |
C21 | C25 | H18 | H19 | 118.4° | 119.8° |
C21 | C22 | O23 | O24 | 179.7° | 180.0° |
C22 | C21 | C25 | H18 | 110.1° | 77.3° |
C22 | C21 | C25 | H19 | 8.8° | 42.4° |
C21 | C22 | O24 | H24 | 179.7° | 180.0° |
C17 | C02 | C03 | C04 | 121.5° | 120.0° |
C17 | C02 | C04 | C05 | 178.7° | 180.0° |
C17 | C02 | C01 | H9 | 180.0° | 60.0° |
C17 | C02 | C01 | H10 | 60.0° | 180.0° |
C17 | C02 | C01 | H11 | 60.0° | 60.0° |
C17 | C02 | C03 | H12 | 61.8° | 60.0° |
C17 | C02 | C03 | H13 | 58.2° | 180.0° |
C17 | C02 | C03 | H14 | 178.2° | 60.0° |
C17 | C02 | C04 | H15 | 61.0° | 60.0° |
C17 | C02 | C04 | H16 | 58.4° | 60.0° |
C02 | C17 | N19 | H22 | 0.3° | 4.5° |
O18 | C17 | C02 | C03 | 137.4° | 120.0° |
O18 | C17 | C02 | C04 | 16.2° | 0.0° |
O18 | C17 | N19 | H22 | 179.9° | 175.4° |
C03 | C02 | C04 | C05 | 60.2° | 60.0° |
C03 | C02 | C01 | H9 | 63.6° | 60.0° |
C03 | C02 | C01 | H10 | 56.3° | 60.0° |
C03 | C02 | C01 | H11 | 176.3° | 180.0° |
C02 | C03 | H12 | H13 | 120.0° | 120.1° |
C02 | C03 | H12 | H14 | 120.0° | 120.0° |
C02 | C03 | H13 | H14 | 120.0° | 120.0° |
C03 | C02 | C04 | H15 | 179.5° | 60.0° |
C03 | C02 | C04 | H16 | 60.1° | 180.0° |
C02 | C04 | C05 | O16 | 92.9° | 90.3° |
C02 | C04 | C05 | H15 | 120.3° | 120.0° |
C02 | C04 | C05 | H16 | 120.3° | 120.0° |
C02 | C04 | C05 | N06 | 87.7° | 90.0° |
C04 | C02 | C01 | H9 | 58.0° | 180.0° |
C04 | C02 | C01 | H10 | 178.0° | 60.0° |
C04 | C02 | C01 | H11 | 62.0° | 60.0° |
C04 | C02 | C03 | H12 | 59.6° | 60.1° |
C04 | C02 | C03 | H13 | 179.6° | 60.0° |
C04 | C02 | C03 | H14 | 60.4° | 180.0° |
C02 | C04 | H15 | H16 | 119.1° | 120.0° |
O23 | C22 | O24 | H24 | 0.0° | 0.1° |
N15 | O16 | C05 | C04 | 179.8° | 180.0° |
N15 | O16 | C05 | N06 | 0.3° | 0.2° |
O16 | N15 | C07 | N06 | 0.2° | 0.1° |
O16 | N15 | C07 | C08 | 179.4° | 179.9° |
O16 | C05 | C04 | N06 | 179.4° | 179.7° |
C05 | O16 | N15 | C07 | 0.1° | 0.1° |
O16 | C05 | N06 | C07 | 0.5° | 0.3° |
O16 | C05 | C04 | H15 | 27.5° | 149.7° |
O16 | C05 | C04 | H16 | 146.9° | 29.7° |
C04 | C05 | N06 | C07 | 180.0° | 180.0° |
C05 | C04 | H15 | H16 | 119.1° | 120.0° |
N15 | C07 | N06 | C05 | 0.5° | 0.2° |
N15 | C07 | N06 | C08 | 179.7° | 179.8° |
N15 | C07 | C08 | C09 | 66.2° | 1.0° |
N15 | C07 | C08 | N14 | 115.7° | 179.7° |
C05 | N06 | C07 | C08 | 179.2° | 180.0° |
N06 | C05 | C04 | H15 | 151.9° | 30.0° |
N06 | C05 | C04 | H16 | 32.5° | 150.0° |
N06 | C07 | C08 | C09 | 113.4° | 179.3° |
N06 | C07 | C08 | N14 | 64.7° | 0.0° |
C07 | C08 | C09 | N14 | 178.0° | 179.2° |
C07 | C08 | C09 | C10 | 179.1° | 179.8° |
C07 | C08 | N14 | C13 | 179.1° | 180.0° |
C07 | C08 | C09 | H17 | 0.9° | 0.3° |
C08 | C09 | C10 | H17 | 180.0° | 179.9° |
C08 | C09 | C10 | C11 | 0.5° | 0.0° |
C09 | C08 | N14 | C13 | 1.1° | 0.7° |
C08 | C09 | C10 | H1 | 179.5° | 179.7° |
C10 | C09 | C08 | N14 | 1.1° | 0.5° |
C09 | C10 | C11 | H1 | 180.0° | 179.8° |
C09 | C10 | C11 | C13 | 0.1° | 0.2° |
C09 | C10 | C11 | O12 | 179.8° | 179.8° |
C08 | N14 | C13 | C11 | 0.5° | 0.4° |
C08 | N14 | C13 | H2 | 179.5° | 179.5° |
N14 | C08 | C09 | H17 | 179.0° | 179.6° |
C10 | C11 | C13 | N14 | 0.1° | 0.1° |
C10 | C11 | C13 | O12 | 179.7° | 180.0° |
C10 | C11 | C13 | H2 | 179.9° | 180.0° |
C11 | C10 | C09 | H17 | 179.6° | 180.0° |
C10 | C11 | O12 | H23 | 180.0° | 89.9° |
N14 | C13 | C11 | H2 | 180.0° | 179.9° |
N14 | C13 | C11 | O12 | 179.8° | 180.0° |
C13 | C11 | C10 | H1 | 179.9° | 180.0° |
C13 | C11 | O12 | H23 | 0.3° | 90.0° |
O12 | C11 | C10 | H1 | 0.2° | 0.0° |
O12 | C11 | C13 | H2 | 0.2° | 0.0° |
H1 | C10 | C09 | H17 | 0.4° | 0.2° |
H5 | C26 | C25 | H18 | 52.1° | 49.7° |
H5 | C26 | C25 | H19 | 66.9° | 70.0° |
H5 | C26 | C27 | H20 | 57.4° | 68.4° |
H5 | C26 | C27 | H21 | 61.8° | 52.2° |
H6 | C26 | C25 | H18 | 171.3° | 170.1° |
H6 | C26 | C25 | H19 | 52.3° | 50.4° |
H6 | C26 | C27 | H20 | 176.6° | 171.1° |
H6 | C26 | C27 | H21 | 57.4° | 68.3° |
H7 | C28 | C27 | H20 | 172.4° | 170.1° |
H7 | C28 | C27 | H21 | 53.2° | 49.6° |
H8 | C28 | C27 | H20 | 53.4° | 50.5° |
H8 | C28 | C27 | H21 | 65.8° | 70.1° |
H9 | C01 | H10 | H11 | 120.0° | 120.1° |
H12 | C03 | H13 | H14 | 120.0° | 119.9° |