G5C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O18 | C17 | doub | 1.21Å | 1.19Å | |
C10 | O09 | sing | 1.43Å | 1.39Å | |
C16 | C17 | sing | 1.51Å | 1.58Å | |
C16 | C15 | sing | 1.55Å | 1.26Å | |
C17 | N13 | sing | 1.34Å | 1.58Å | |
O09 | C08 | sing | 1.36Å | 1.39Å | |
C15 | C14 | sing | 1.54Å | 1.69Å | |
C11 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
N13 | C12 | sing | 1.40Å | 1.44Å | |
N13 | C14 | sing | 1.47Å | 1.27Å | |
C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
C12 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
C07 | N06 | sing | 1.40Å | 1.46Å | |
C07 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
N06 | C05 | sing | 1.38Å | 1.46Å | |
C05 | N21 | doub | 1.32Å | 1.32Å | Aromatic |
C05 | N04 | sing | 1.33Å | 1.33Å | Aromatic |
N21 | C22 | sing | 1.33Å | 1.36Å | Aromatic |
N04 | C03 | doub | 1.33Å | 1.32Å | Aromatic |
C22 | N28 | sing | 1.37Å | 1.37Å | Aromatic |
C22 | C23 | doub | 1.40Å | 1.37Å | Aromatic |
C03 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
C03 | N02 | sing | 1.38Å | 1.45Å | |
N28 | C27 | sing | 1.36Å | 1.33Å | Aromatic |
C23 | C24 | sing | 1.47Å | 1.42Å | Aromatic |
C01 | N02 | sing | 1.47Å | 1.45Å | |
C27 | C24 | doub | 1.36Å | 1.39Å | Aromatic |
C24 | C25 | sing | 1.43Å | 1.53Å | |
C25 | N26 | trip | 1.14Å | 1.13Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C14 | H4 | sing | 1.09Å | 1.10Å | |
C14 | H5 | sing | 1.09Å | 1.10Å | |
C16 | H6 | sing | 1.09Å | 1.10Å | |
C16 | H7 | sing | 1.09Å | 1.10Å | |
C19 | H8 | sing | 1.08Å | 1.08Å | |
C20 | H9 | sing | 1.08Å | 1.08Å | |
C27 | H10 | sing | 1.08Å | 1.08Å | |
C01 | H11 | sing | 1.09Å | 1.10Å | |
C01 | H12 | sing | 1.09Å | 1.10Å | |
C01 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H16 | sing | 1.09Å | 1.10Å | |
N02 | H17 | sing | 0.97Å | 1.00Å | |
N06 | H18 | sing | 0.97Å | 1.00Å | |
N28 | H19 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O18 | C17 | C16 | 128.2° | 125.0° |
O18 | C17 | N13 | 126.3° | 124.9° |
C10 | O09 | C08 | 114.3° | 117.0° |
O09 | C10 | H1 | 109.5° | 109.5° |
O09 | C10 | H2 | 109.5° | 109.5° |
O09 | C10 | H3 | 109.5° | 109.5° |
C17 | C16 | C15 | 106.7° | 104.2° |
C16 | C17 | N13 | 105.6° | 110.1° |
C17 | C16 | H6 | 110.2° | 110.5° |
C17 | C16 | H7 | 110.2° | 110.5° |
C16 | C15 | C14 | 107.4° | 101.7° |
C15 | C16 | H6 | 110.2° | 110.5° |
C15 | C16 | H7 | 110.2° | 110.5° |
C16 | C15 | H15 | 110.0° | 111.0° |
C16 | C15 | H16 | 110.0° | 110.9° |
C17 | N13 | C12 | 126.5° | 124.4° |
C17 | N13 | C14 | 107.0° | 111.3° |
O09 | C08 | C11 | 120.5° | 120.1° |
O09 | C08 | C07 | 118.8° | 120.0° |
C15 | C14 | N13 | 108.1° | 105.5° |
C15 | C14 | H4 | 109.8° | 110.3° |
C15 | C14 | H5 | 109.8° | 110.2° |
C14 | C15 | H15 | 110.0° | 111.1° |
C14 | C15 | H16 | 110.0° | 111.1° |
C08 | C11 | C12 | 119.6° | 120.0° |
C11 | C08 | C07 | 120.7° | 119.9° |
C08 | C11 | H14 | 120.2° | 120.0° |
C11 | C12 | N13 | 119.0° | 120.0° |
C11 | C12 | C19 | 120.4° | 120.1° |
C12 | C11 | H14 | 120.2° | 120.1° |
C12 | N13 | C14 | 126.3° | 124.3° |
N13 | C12 | C19 | 120.5° | 119.9° |
N13 | C14 | H4 | 109.8° | 110.2° |
N13 | C14 | H5 | 109.8° | 110.3° |
C08 | C07 | N06 | 118.0° | 120.1° |
C08 | C07 | C20 | 119.6° | 119.9° |
C12 | C19 | C20 | 119.6° | 120.1° |
C12 | C19 | H8 | 120.2° | 120.0° |
N06 | C07 | C20 | 122.3° | 120.0° |
C07 | N06 | C05 | 120.7° | 120.0° |
C07 | N06 | H18 | 119.7° | 119.9° |
C07 | C20 | C19 | 120.1° | 120.1° |
C07 | C20 | H9 | 119.9° | 120.0° |
C20 | C19 | H8 | 120.2° | 120.0° |
C19 | C20 | H9 | 119.9° | 119.9° |
N06 | C05 | N21 | 119.9° | 118.8° |
N06 | C05 | N04 | 120.4° | 118.8° |
C05 | N06 | H18 | 119.7° | 120.0° |
N21 | C05 | N04 | 119.7° | 122.4° |
C05 | N21 | C22 | 122.5° | 120.7° |
C05 | N04 | C03 | 122.0° | 120.9° |
N21 | C22 | N28 | 132.4° | 134.0° |
N21 | C22 | C23 | 118.8° | 118.6° |
N04 | C03 | C23 | 119.7° | 118.5° |
N04 | C03 | N02 | 117.9° | 120.8° |
N28 | C22 | C23 | 108.8° | 107.5° |
C22 | N28 | C27 | 109.8° | 110.5° |
C22 | N28 | H19 | 125.1° | 124.8° |
C22 | C23 | C03 | 117.3° | 118.9° |
C22 | C23 | C24 | 105.9° | 106.1° |
C23 | C03 | N02 | 122.4° | 120.7° |
C03 | C23 | C24 | 136.9° | 135.0° |
C03 | N02 | C01 | 118.9° | 120.0° |
C03 | N02 | H17 | 107.1° | 120.1° |
N28 | C27 | C24 | 108.2° | 109.6° |
N28 | C27 | H10 | 125.9° | 125.2° |
C27 | N28 | H19 | 125.1° | 124.7° |
C23 | C24 | C27 | 107.3° | 106.3° |
C23 | C24 | C25 | 126.2° | 126.8° |
N02 | C01 | H11 | 109.5° | 109.5° |
N02 | C01 | H12 | 109.5° | 109.5° |
N02 | C01 | H13 | 109.5° | 109.5° |
C01 | N02 | H17 | 107.1° | 120.0° |
C27 | C24 | C25 | 126.4° | 126.8° |
C24 | C27 | H10 | 125.9° | 125.2° |
C24 | C25 | N26 | 178.4° | 179.9° |
H1 | C10 | H2 | 109.4° | 109.4° |
H1 | C10 | H3 | 109.4° | 109.5° |
H2 | C10 | H3 | 109.5° | 109.5° |
H4 | C14 | H5 | 109.5° | 110.2° |
H6 | C16 | H7 | 109.4° | 110.5° |
H11 | C01 | H12 | 109.4° | 109.4° |
H11 | C01 | H13 | 109.5° | 109.5° |
H12 | C01 | H13 | 109.5° | 109.5° |
H15 | C15 | H16 | 109.5° | 110.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O18 | C17 | C16 | N13 | 179.3° | 180.0° |
O18 | C17 | C16 | C15 | 164.7° | 163.8° |
O18 | C17 | N13 | C12 | 3.5° | 0.5° |
O18 | C17 | N13 | C14 | 179.2° | 179.6° |
O18 | C17 | C16 | H6 | 75.7° | 45.1° |
O18 | C17 | C16 | H7 | 45.1° | 77.6° |
C10 | O09 | C08 | C11 | 34.9° | 0.3° |
C10 | O09 | C08 | C07 | 145.3° | 180.0° |
O09 | C10 | H1 | H2 | 120.0° | 120.0° |
O09 | C10 | H1 | H3 | 120.0° | 120.0° |
O09 | C10 | H2 | H3 | 120.0° | 120.0° |
C17 | C16 | C15 | H6 | 119.6° | 118.7° |
C17 | C16 | C15 | H7 | 119.6° | 118.6° |
C17 | C16 | C15 | C14 | 21.4° | 24.8° |
C16 | C17 | N13 | C12 | 177.1° | 179.5° |
C16 | C17 | N13 | C14 | 1.5° | 0.4° |
C17 | C16 | H6 | H7 | 121.3° | 122.6° |
C17 | C16 | C15 | H15 | 141.0° | 142.9° |
C17 | C16 | C15 | H16 | 98.3° | 93.4° |
C15 | C16 | C17 | N13 | 14.7° | 16.2° |
C16 | C15 | C14 | H15 | 119.7° | 118.1° |
C16 | C15 | C14 | H16 | 119.7° | 118.0° |
C16 | C15 | C14 | N13 | 24.2° | 25.4° |
C16 | C15 | C14 | H4 | 95.6° | 93.6° |
C16 | C15 | C14 | H5 | 144.0° | 144.5° |
C15 | C16 | H6 | H7 | 121.3° | 122.6° |
C16 | C15 | H15 | H16 | 120.9° | 123.7° |
C17 | N13 | C14 | C15 | 13.0° | 17.1° |
C17 | N13 | C12 | C11 | 16.2° | 174.6° |
C17 | N13 | C12 | C14 | 174.8° | 179.9° |
C17 | N13 | C12 | C19 | 167.6° | 5.8° |
C17 | N13 | C14 | H4 | 106.7° | 102.0° |
C17 | N13 | C14 | H5 | 132.8° | 136.1° |
N13 | C17 | C16 | H6 | 104.9° | 134.9° |
N13 | C17 | C16 | H7 | 134.2° | 102.4° |
O09 | C08 | C11 | C07 | 179.8° | 179.7° |
O09 | C08 | C11 | C12 | 179.2° | 179.7° |
O09 | C08 | C07 | N06 | 0.1° | 0.0° |
O09 | C08 | C07 | C20 | 179.5° | 180.0° |
C08 | O09 | C10 | H1 | 180.0° | 180.0° |
C08 | O09 | C10 | H2 | 60.0° | 60.0° |
C08 | O09 | C10 | H3 | 60.0° | 60.0° |
O09 | C08 | C11 | H14 | 0.8° | 0.3° |
C15 | C14 | N13 | C12 | 171.3° | 162.9° |
C15 | C14 | N13 | H4 | 119.8° | 119.0° |
C15 | C14 | N13 | H5 | 119.8° | 119.0° |
C15 | C14 | H4 | H5 | 120.7° | 121.9° |
C14 | C15 | C16 | H6 | 98.2° | 143.5° |
C14 | C15 | C16 | H7 | 140.9° | 93.9° |
C14 | C15 | H15 | H16 | 121.0° | 124.0° |
C08 | C11 | C12 | H14 | 180.0° | 179.4° |
C08 | C11 | C12 | N13 | 177.7° | 179.8° |
C08 | C11 | C12 | C19 | 1.5° | 0.6° |
C11 | C08 | C07 | N06 | 179.9° | 179.7° |
C11 | C08 | C07 | C20 | 0.2° | 0.3° |
C11 | C12 | N13 | C19 | 176.2° | 179.6° |
C11 | C12 | N13 | C14 | 158.6° | 5.4° |
C12 | C11 | C08 | C07 | 0.5° | 0.6° |
C11 | C12 | C19 | C20 | 2.1° | 0.3° |
C11 | C12 | C19 | H8 | 177.9° | 179.7° |
N13 | C12 | C19 | C20 | 178.3° | 180.0° |
C12 | N13 | C14 | H4 | 68.9° | 78.1° |
C12 | N13 | C14 | H5 | 51.5° | 43.8° |
N13 | C12 | C19 | H8 | 1.7° | 0.1° |
N13 | C12 | C11 | H14 | 2.3° | 0.4° |
C14 | N13 | C12 | C19 | 17.6° | 174.3° |
N13 | C14 | H4 | H5 | 120.6° | 121.9° |
N13 | C14 | C15 | H15 | 143.9° | 143.5° |
N13 | C14 | C15 | H16 | 95.5° | 92.6° |
C08 | C07 | N06 | C20 | 179.7° | 180.0° |
C08 | C07 | C20 | C19 | 0.9° | 0.0° |
C08 | C07 | N06 | C05 | 140.4° | 146.2° |
C08 | C07 | C20 | H9 | 179.1° | 180.0° |
C07 | C08 | C11 | H14 | 179.4° | 180.0° |
C08 | C07 | N06 | H18 | 39.6° | 33.8° |
C12 | C19 | C20 | C07 | 1.8° | 0.1° |
C12 | C19 | C20 | H8 | 180.0° | 180.0° |
C12 | C19 | C20 | H9 | 178.2° | 180.0° |
C19 | C12 | C11 | H14 | 178.5° | 180.0° |
N06 | C07 | C20 | C19 | 179.5° | 180.0° |
C07 | N06 | C05 | H18 | 180.0° | 180.0° |
C07 | N06 | C05 | N21 | 179.2° | 5.9° |
C07 | N06 | C05 | N04 | 0.9° | 174.2° |
N06 | C07 | C20 | H9 | 0.5° | 0.1° |
C07 | C20 | C19 | H9 | 180.0° | 179.9° |
C20 | C07 | N06 | C05 | 39.9° | 33.8° |
C07 | C20 | C19 | H8 | 178.2° | 180.0° |
C20 | C07 | N06 | H18 | 140.1° | 146.2° |
N06 | C05 | N21 | N04 | 179.9° | 179.9° |
N06 | C05 | N21 | C22 | 179.4° | 180.0° |
N06 | C05 | N04 | C03 | 179.4° | 179.7° |
N21 | C05 | N04 | C03 | 0.5° | 0.1° |
C05 | N21 | C22 | N28 | 179.6° | 180.0° |
C05 | N21 | C22 | C23 | 0.1° | 0.3° |
N21 | C05 | N06 | H18 | 0.7° | 174.1° |
N04 | C05 | N21 | C22 | 0.4° | 0.1° |
C05 | N04 | C03 | C23 | 0.3° | 0.2° |
C05 | N04 | C03 | N02 | 179.7° | 179.8° |
N04 | C05 | N06 | H18 | 179.1° | 5.8° |
N21 | C22 | N28 | C23 | 179.7° | 179.7° |
N21 | C22 | C23 | C03 | 0.1° | 0.2° |
N21 | C22 | N28 | C27 | 179.7° | 179.7° |
N21 | C22 | C23 | C24 | 179.8° | 179.8° |
N21 | C22 | N28 | H19 | 0.3° | 0.3° |
N04 | C03 | C23 | C22 | 0.0° | 0.1° |
N04 | C03 | C23 | N02 | 180.0° | 180.0° |
N04 | C03 | C23 | C24 | 179.6° | 180.0° |
N04 | C03 | N02 | C01 | 28.2° | 0.0° |
N04 | C03 | N02 | H17 | 149.6° | 180.0° |
N28 | C22 | C23 | C03 | 179.9° | 180.0° |
C22 | N28 | C27 | H19 | 180.0° | 179.9° |
N28 | C22 | C23 | C24 | 0.4° | 0.0° |
C22 | N28 | C27 | C24 | 0.5° | 0.0° |
C22 | N28 | C27 | H10 | 179.5° | 179.9° |
C22 | C23 | C03 | C24 | 179.6° | 179.9° |
C22 | C23 | C03 | N02 | 180.0° | 180.0° |
C23 | C22 | N28 | C27 | 0.0° | 0.0° |
C22 | C23 | C24 | C27 | 0.7° | 0.1° |
C22 | C23 | C24 | C25 | 179.8° | 179.9° |
C23 | C22 | N28 | H19 | 180.0° | 179.9° |
C23 | C03 | N02 | C01 | 151.8° | 180.0° |
C03 | C23 | C24 | C27 | 179.7° | 180.0° |
C03 | C23 | C24 | C25 | 0.1° | 0.2° |
C23 | C03 | N02 | H17 | 30.4° | 0.0° |
N02 | C03 | C23 | C24 | 0.4° | 0.1° |
C03 | N02 | C01 | H17 | 121.3° | 180.0° |
C03 | N02 | C01 | H11 | 180.0° | 60.0° |
C03 | N02 | C01 | H12 | 60.0° | 60.0° |
C03 | N02 | C01 | H13 | 60.0° | 180.0° |
N28 | C27 | C24 | C23 | 0.7° | 0.1° |
N28 | C27 | C24 | H10 | 180.0° | 180.0° |
N28 | C27 | C24 | C25 | 179.7° | 179.9° |
C23 | C24 | C27 | C25 | 179.6° | 179.9° |
C23 | C24 | C25 | N26 | 6.2° | 77.6° |
C23 | C24 | C27 | H10 | 179.3° | 179.9° |
N02 | C01 | H11 | H12 | 120.0° | 120.0° |
N02 | C01 | H11 | H13 | 120.0° | 120.0° |
N02 | C01 | H12 | H13 | 120.0° | 120.0° |
C27 | C24 | C25 | N26 | 174.3° | 102.6° |
C24 | C27 | N28 | H19 | 179.5° | 180.0° |
C25 | C24 | C27 | H10 | 0.3° | 0.1° |
H1 | C10 | H2 | H3 | 119.9° | 120.0° |
H4 | C14 | C15 | H15 | 24.1° | 24.5° |
H4 | C14 | C15 | H16 | 144.8° | 148.3° |
H5 | C14 | C15 | H15 | 96.3° | 97.4° |
H5 | C14 | C15 | H16 | 24.3° | 26.4° |
H6 | C16 | C15 | H15 | 21.5° | 98.4° |
H6 | C16 | C15 | H16 | 142.1° | 25.3° |
H7 | C16 | C15 | H15 | 99.4° | 24.3° |
H7 | C16 | C15 | H16 | 21.3° | 148.0° |
H8 | C19 | C20 | H9 | 1.8° | 0.1° |
H10 | C27 | N28 | H19 | 0.5° | 0.0° |
H11 | C01 | H12 | H13 | 120.0° | 120.0° |
H11 | C01 | N02 | H17 | 58.7° | 120.0° |
H12 | C01 | N02 | H17 | 178.7° | 120.0° |
H13 | C01 | N02 | H17 | 61.3° | 0.0° |