CG0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C17 | C16 | sing | 1.53Å | 1.51Å | |
C17 | C15 | sing | 1.53Å | 1.50Å | |
C16 | C15 | sing | 1.53Å | 1.53Å | |
C20 | C19 | sing | 1.53Å | 1.55Å | |
C15 | N14 | sing | 1.47Å | 1.45Å | |
C19 | C18 | sing | 1.51Å | 1.57Å | |
N14 | C13 | sing | 1.39Å | 1.46Å | |
C18 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
C18 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
C06 | C07 | sing | 1.53Å | 1.53Å | |
C06 | N05 | sing | 1.47Å | 1.46Å | |
C13 | N12 | sing | 1.33Å | 1.33Å | Aromatic |
C07 | N02 | sing | 1.47Å | 1.36Å | |
N05 | C08 | sing | 1.39Å | 1.46Å | |
N05 | C04 | sing | 1.47Å | 1.46Å | |
C08 | N09 | doub | 1.33Å | 1.33Å | Aromatic |
N12 | C10 | doub | 1.32Å | 1.33Å | Aromatic |
N09 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
C10 | N11 | sing | 1.38Å | 1.46Å | |
N02 | C03 | sing | 1.47Å | 1.36Å | |
N02 | C01 | sing | 1.47Å | 1.26Å | |
C04 | C03 | sing | 1.53Å | 1.52Å | |
C15 | H1 | sing | 1.09Å | 1.10Å | |
C16 | H2 | sing | 1.09Å | 1.10Å | |
C16 | H3 | sing | 1.09Å | 1.10Å | |
C17 | H4 | sing | 1.09Å | 1.10Å | |
C17 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C01 | H8 | sing | 1.09Å | 1.10Å | |
C03 | H9 | sing | 1.09Å | 1.10Å | |
C03 | H10 | sing | 1.09Å | 1.10Å | |
C04 | H11 | sing | 1.09Å | 1.10Å | |
C04 | H12 | sing | 1.09Å | 1.10Å | |
C06 | H13 | sing | 1.09Å | 1.10Å | |
C06 | H14 | sing | 1.09Å | 1.10Å | |
C07 | H15 | sing | 1.09Å | 1.10Å | |
C07 | H16 | sing | 1.09Å | 1.10Å | |
C19 | H17 | sing | 1.09Å | 1.10Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H21 | sing | 1.09Å | 1.10Å | |
N11 | H23 | sing | 0.97Å | 1.00Å | |
N11 | H24 | sing | 0.97Å | 1.00Å | |
N14 | H25 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C16 | C17 | C15 | 60.9° | 60.0° |
C17 | C16 | C15 | 59.1° | 60.0° |
C17 | C16 | H2 | 120.1° | 117.5° |
C17 | C16 | H3 | 120.1° | 117.6° |
C16 | C17 | H4 | 119.8° | 117.5° |
C16 | C17 | H5 | 119.8° | 117.5° |
C17 | C15 | C16 | 59.9° | 60.0° |
C17 | C15 | N14 | 112.8° | 117.5° |
C17 | C15 | H1 | 117.3° | 117.5° |
C15 | C17 | H4 | 119.8° | 117.5° |
C15 | C17 | H5 | 119.8° | 117.5° |
C16 | C15 | N14 | 118.4° | 117.5° |
C16 | C15 | H1 | 116.8° | 117.5° |
C15 | C16 | H2 | 120.1° | 117.5° |
C15 | C16 | H3 | 120.1° | 117.5° |
C20 | C19 | C18 | 114.1° | 109.4° |
C20 | C19 | H17 | 108.3° | 109.5° |
C20 | C19 | H18 | 108.3° | 109.5° |
C19 | C20 | H19 | 109.5° | 109.5° |
C19 | C20 | H20 | 109.5° | 109.5° |
C19 | C20 | H21 | 109.5° | 109.5° |
C15 | N14 | C13 | 120.0° | 120.0° |
N14 | C15 | H1 | 118.2° | 115.5° |
C15 | N14 | H25 | 106.8° | 120.0° |
C19 | C18 | C13 | 129.3° | 120.8° |
C19 | C18 | C08 | 115.0° | 120.8° |
C18 | C19 | H17 | 108.3° | 109.5° |
C18 | C19 | H18 | 108.3° | 109.5° |
N14 | C13 | C18 | 124.0° | 120.4° |
N14 | C13 | N12 | 115.8° | 120.5° |
C13 | N14 | H25 | 106.8° | 120.0° |
C13 | C18 | C08 | 115.7° | 118.4° |
C18 | C13 | N12 | 120.3° | 119.1° |
C18 | C08 | N05 | 117.0° | 120.5° |
C18 | C08 | N09 | 121.4° | 119.1° |
C07 | C06 | N05 | 117.0° | 109.4° |
C06 | C07 | N02 | 108.7° | 109.3° |
C07 | C06 | H13 | 107.5° | 109.4° |
C07 | C06 | H14 | 107.6° | 109.5° |
C06 | C07 | H15 | 109.7° | 109.5° |
C06 | C07 | H16 | 109.7° | 109.5° |
C06 | N05 | C08 | 115.4° | 110.9° |
C06 | N05 | C04 | 116.4° | 110.9° |
N05 | C06 | H13 | 107.6° | 109.5° |
N05 | C06 | H14 | 107.5° | 109.5° |
C13 | N12 | C10 | 121.2° | 120.8° |
C07 | N02 | C03 | 110.6° | 110.9° |
C07 | N02 | C01 | 108.5° | 111.0° |
N02 | C07 | H15 | 109.7° | 109.4° |
N02 | C07 | H16 | 109.7° | 109.5° |
C08 | N05 | C04 | 117.3° | 111.0° |
N05 | C08 | N09 | 121.6° | 120.4° |
N05 | C04 | C03 | 115.3° | 109.4° |
N05 | C04 | H11 | 108.0° | 109.4° |
N05 | C04 | H12 | 108.0° | 109.5° |
C08 | N09 | C10 | 121.2° | 120.8° |
N12 | C10 | N09 | 120.3° | 121.7° |
N12 | C10 | N11 | 120.2° | 119.1° |
N09 | C10 | N11 | 119.5° | 119.1° |
C10 | N11 | H23 | 109.5° | 120.0° |
C10 | N11 | H24 | 109.5° | 120.0° |
C03 | N02 | C01 | 109.8° | 111.0° |
N02 | C03 | C04 | 107.0° | 109.4° |
N02 | C03 | H9 | 110.1° | 109.5° |
N02 | C03 | H10 | 110.1° | 109.5° |
N02 | C01 | H6 | 109.5° | 109.5° |
N02 | C01 | H7 | 109.4° | 109.5° |
N02 | C01 | H8 | 109.4° | 109.5° |
C04 | C03 | H9 | 110.1° | 109.5° |
C04 | C03 | H10 | 110.1° | 109.5° |
C03 | C04 | H11 | 108.0° | 109.5° |
C03 | C04 | H12 | 108.0° | 109.5° |
H2 | C16 | H3 | 109.5° | 115.6° |
H4 | C17 | H5 | 109.5° | 115.6° |
H6 | C01 | H7 | 109.5° | 109.5° |
H6 | C01 | H8 | 109.5° | 109.5° |
H7 | C01 | H8 | 109.5° | 109.4° |
H9 | C03 | H10 | 109.5° | 109.4° |
H11 | C04 | H12 | 109.5° | 109.5° |
H13 | C06 | H14 | 109.5° | 109.5° |
H15 | C07 | H16 | 109.5° | 109.5° |
H17 | C19 | H18 | 109.5° | 109.4° |
H19 | C20 | H20 | 109.4° | 109.5° |
H19 | C20 | H21 | 109.5° | 109.4° |
H20 | C20 | H21 | 109.5° | 109.5° |
H23 | N11 | H24 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C16 | C17 | C15 | H4 | 109.7° | 107.5° |
C16 | C17 | C15 | H5 | 109.7° | 107.5° |
C17 | C16 | C15 | H2 | 109.3° | 107.5° |
C17 | C16 | C15 | H3 | 109.2° | 107.6° |
C16 | C17 | C15 | N14 | 110.7° | 107.5° |
C16 | C17 | C15 | H1 | 106.7° | 107.5° |
C17 | C16 | H2 | H3 | 145.2° | 145.8° |
C16 | C17 | H4 | H5 | 144.3° | 145.6° |
C17 | C15 | N14 | H1 | 142.2° | 145.6° |
C17 | C15 | N14 | C13 | 149.3° | 136.2° |
C15 | C17 | H4 | H5 | 144.2° | 145.7° |
C17 | C15 | N14 | H25 | 27.9° | 43.8° |
C16 | C15 | N14 | H1 | 150.8° | 145.7° |
C16 | C15 | N14 | C13 | 143.7° | 155.1° |
C15 | C16 | H2 | H3 | 145.2° | 145.6° |
C16 | C15 | N14 | H25 | 94.9° | 24.9° |
C20 | C19 | C18 | H17 | 120.7° | 120.0° |
C20 | C19 | C18 | H18 | 120.7° | 120.0° |
C20 | C19 | C18 | C13 | 95.6° | 84.9° |
C20 | C19 | C18 | C08 | 86.1° | 95.2° |
C20 | C19 | H17 | H18 | 117.9° | 120.0° |
C19 | C20 | H19 | H20 | 120.0° | 120.0° |
C19 | C20 | H19 | H21 | 120.0° | 120.0° |
C19 | C20 | H20 | H21 | 120.0° | 120.1° |
C15 | N14 | C13 | H25 | 121.5° | 180.0° |
C15 | N14 | C13 | C18 | 37.8° | 179.7° |
C15 | N14 | C13 | N12 | 142.3° | 0.0° |
N14 | C15 | C16 | H2 | 8.0° | 145.0° |
N14 | C15 | C16 | H3 | 149.5° | 0.1° |
N14 | C15 | C17 | H4 | 139.6° | 0.1° |
N14 | C15 | C17 | H5 | 0.9° | 145.0° |
C19 | C18 | C13 | N14 | 1.1° | 0.4° |
C19 | C18 | C13 | C08 | 178.3° | 179.9° |
C19 | C18 | C13 | N12 | 178.8° | 179.9° |
C19 | C18 | C08 | N05 | 1.3° | 0.0° |
C19 | C18 | C08 | N09 | 179.1° | 179.9° |
C18 | C19 | H17 | H18 | 117.9° | 120.0° |
C18 | C19 | C20 | H19 | 180.0° | 60.0° |
C18 | C19 | C20 | H20 | 60.0° | 180.0° |
C18 | C19 | C20 | H21 | 60.0° | 60.0° |
N14 | C13 | C18 | N12 | 179.9° | 179.7° |
N14 | C13 | C18 | C08 | 179.4° | 179.7° |
N14 | C13 | N12 | C10 | 179.7° | 179.7° |
C13 | N14 | C15 | H1 | 7.1° | 9.4° |
C13 | C18 | C08 | N05 | 179.9° | 180.0° |
C13 | C18 | C08 | N09 | 0.5° | 0.0° |
C18 | C13 | N12 | C10 | 0.2° | 0.0° |
C13 | C18 | C19 | H17 | 25.1° | 155.1° |
C13 | C18 | C19 | H18 | 143.8° | 35.1° |
C18 | C13 | N14 | H25 | 159.3° | 0.3° |
C18 | C08 | N05 | C06 | 108.7° | 119.4° |
C08 | C18 | C13 | N12 | 0.5° | 0.0° |
C18 | C08 | N05 | N09 | 179.6° | 180.0° |
C18 | C08 | N05 | C04 | 108.2° | 116.8° |
C18 | C08 | N09 | C10 | 0.1° | 0.0° |
C08 | C18 | C19 | H17 | 153.2° | 24.8° |
C08 | C18 | C19 | H18 | 34.6° | 144.8° |
C07 | C06 | N05 | H13 | 121.1° | 119.9° |
C07 | C06 | N05 | H14 | 121.1° | 120.0° |
C06 | C07 | N02 | H15 | 119.9° | 119.9° |
C06 | C07 | N02 | H16 | 119.9° | 120.0° |
C07 | C06 | N05 | C08 | 155.6° | 176.8° |
C07 | C06 | N05 | C04 | 12.2° | 59.3° |
C06 | C07 | N02 | C03 | 68.8° | 59.3° |
C06 | C07 | N02 | C01 | 170.7° | 176.8° |
C07 | C06 | H13 | H14 | 116.6° | 120.0° |
C06 | C07 | H15 | H16 | 120.4° | 120.1° |
N05 | C06 | C07 | N02 | 35.3° | 58.4° |
C06 | N05 | C08 | C04 | 143.1° | 123.8° |
C06 | N05 | C08 | N09 | 70.9° | 60.6° |
C06 | N05 | C04 | C03 | 17.2° | 59.4° |
C06 | N05 | C04 | H11 | 103.7° | 179.3° |
C06 | N05 | C04 | H12 | 138.0° | 60.7° |
N05 | C06 | H13 | H14 | 116.6° | 120.1° |
N05 | C06 | C07 | H15 | 84.6° | 61.5° |
N05 | C06 | C07 | H16 | 155.2° | 178.4° |
C13 | N12 | C10 | N09 | 0.2° | 0.0° |
C13 | N12 | C10 | N11 | 179.8° | 180.0° |
N12 | C13 | N14 | H25 | 20.8° | 180.0° |
C07 | N02 | C03 | C01 | 119.8° | 123.9° |
C07 | N02 | C03 | C04 | 74.1° | 59.3° |
C07 | N02 | C01 | H6 | 180.0° | 60.0° |
C07 | N02 | C01 | H7 | 60.0° | 180.0° |
C07 | N02 | C01 | H8 | 60.0° | 60.1° |
C07 | N02 | C03 | H9 | 45.5° | 179.3° |
C07 | N02 | C03 | H10 | 166.3° | 60.7° |
N02 | C07 | C06 | H13 | 85.8° | 61.6° |
N02 | C07 | C06 | H14 | 156.4° | 178.3° |
N02 | C07 | H15 | H16 | 120.3° | 120.1° |
N05 | C08 | N09 | C10 | 179.7° | 180.0° |
C08 | N05 | C04 | C03 | 159.9° | 176.8° |
C08 | N05 | C04 | H11 | 39.1° | 56.9° |
C08 | N05 | C04 | H12 | 79.2° | 63.1° |
C08 | N05 | C06 | H13 | 34.5° | 63.3° |
C08 | N05 | C06 | H14 | 83.3° | 56.8° |
C04 | N05 | C08 | N09 | 72.2° | 63.2° |
N05 | C04 | C03 | N02 | 45.6° | 58.4° |
N05 | C04 | C03 | H11 | 120.9° | 119.9° |
N05 | C04 | C03 | H12 | 120.8° | 120.0° |
N05 | C04 | C03 | H9 | 74.1° | 178.4° |
N05 | C04 | C03 | H10 | 165.2° | 61.6° |
N05 | C04 | H11 | H12 | 117.3° | 120.1° |
C04 | N05 | C06 | H13 | 108.9° | 60.6° |
C04 | N05 | C06 | H14 | 133.3° | 179.3° |
C08 | N09 | C10 | N12 | 0.2° | 0.0° |
C08 | N09 | C10 | N11 | 179.7° | 180.0° |
N12 | C10 | N09 | N11 | 179.9° | 180.0° |
N12 | C10 | N11 | H23 | 0.0° | 179.9° |
N12 | C10 | N11 | H24 | 120.0° | 0.0° |
N09 | C10 | N11 | H23 | 179.9° | 0.0° |
N09 | C10 | N11 | H24 | 60.1° | 180.0° |
C10 | N11 | H23 | H24 | 120.0° | 179.9° |
N02 | C03 | C04 | H9 | 119.6° | 120.0° |
N02 | C03 | C04 | H10 | 119.6° | 120.0° |
C03 | N02 | C01 | H6 | 59.0° | 176.2° |
C03 | N02 | C01 | H7 | 61.0° | 56.2° |
C03 | N02 | C01 | H8 | 179.0° | 63.8° |
N02 | C03 | H9 | H10 | 121.2° | 120.1° |
N02 | C03 | C04 | H11 | 75.3° | 178.3° |
N02 | C03 | C04 | H12 | 166.4° | 61.6° |
C03 | N02 | C07 | H15 | 51.1° | 60.6° |
C03 | N02 | C07 | H16 | 171.4° | 179.3° |
C01 | N02 | C03 | C04 | 166.1° | 176.8° |
N02 | C01 | H6 | H7 | 120.0° | 120.0° |
N02 | C01 | H6 | H8 | 120.0° | 120.0° |
N02 | C01 | H7 | H8 | 119.9° | 120.0° |
C01 | N02 | C03 | H9 | 74.3° | 56.8° |
C01 | N02 | C03 | H10 | 46.5° | 63.2° |
C01 | N02 | C07 | H15 | 69.4° | 63.3° |
C01 | N02 | C07 | H16 | 50.8° | 56.8° |
C04 | C03 | H9 | H10 | 121.1° | 120.0° |
C03 | C04 | H11 | H12 | 117.3° | 120.1° |
H1 | C15 | C16 | H2 | 143.2° | 0.0° |
H1 | C15 | C16 | H3 | 1.6° | 144.9° |
H1 | C15 | C17 | H4 | 3.0° | 145.0° |
H1 | C15 | C17 | H5 | 143.5° | 0.1° |
H1 | C15 | N14 | H25 | 114.4° | 170.6° |
H2 | C16 | C17 | H4 | 141.1° | 145.0° |
H2 | C16 | C17 | H5 | 0.5° | 0.0° |
H3 | C16 | C17 | H4 | 0.5° | 0.1° |
H3 | C16 | C17 | H5 | 141.1° | 145.1° |
H6 | C01 | H7 | H8 | 120.0° | 120.0° |
H9 | C03 | C04 | H11 | 165.1° | 61.7° |
H9 | C03 | C04 | H12 | 46.8° | 58.4° |
H10 | C03 | C04 | H11 | 44.3° | 58.3° |
H10 | C03 | C04 | H12 | 74.0° | 178.4° |
H13 | C06 | C07 | H15 | 154.4° | 178.5° |
H13 | C06 | C07 | H16 | 34.1° | 58.4° |
H14 | C06 | C07 | H15 | 36.5° | 58.4° |
H14 | C06 | C07 | H16 | 83.7° | 61.6° |
H17 | C19 | C20 | H19 | 59.3° | 60.0° |
H17 | C19 | C20 | H20 | 60.7° | 60.0° |
H17 | C19 | C20 | H21 | 179.3° | 180.0° |
H18 | C19 | C20 | H19 | 59.3° | 180.0° |
H18 | C19 | C20 | H20 | 179.3° | 60.0° |
H18 | C19 | C20 | H21 | 60.7° | 60.0° |
H19 | C20 | H20 | H21 | 120.0° | 119.9° |