G27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C8 | N1 | sing | 1.47Å | 1.48Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| N1 | C7 | sing | 1.47Å | 1.49Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C7 | C5 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C11 | C12 | H12 | 119.8° | 120.0° |
| C12 | C11 | C16 | 119.7° | 120.0° |
| C12 | C11 | C10 | 119.9° | 120.0° |
| C14 | C13 | H13 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.4° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C16 | C15 | H15 | 119.8° | 120.0° |
| C15 | C16 | C11 | 119.9° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C11 | C16 | H16 | 120.1° | 120.0° |
| C16 | C11 | C10 | 120.4° | 120.0° |
| C11 | C10 | C9 | 114.1° | 109.5° |
| C11 | C10 | H101 | 106.9° | 109.4° |
| C11 | C10 | H102 | 108.0° | 109.5° |
| C9 | C10 | H101 | 106.9° | 109.4° |
| C9 | C10 | H102 | 107.9° | 109.5° |
| C10 | C9 | C8 | 108.5° | 109.5° |
| C10 | C9 | H91 | 110.0° | 109.5° |
| C10 | C9 | H92 | 109.8° | 109.5° |
| H101 | C10 | H102 | 113.2° | 109.5° |
| C8 | C9 | H91 | 110.0° | 109.5° |
| C8 | C9 | H92 | 109.8° | 109.4° |
| C9 | C8 | N1 | 113.1° | 109.5° |
| C9 | C8 | H81 | 107.5° | 109.5° |
| C9 | C8 | H82 | 108.3° | 109.5° |
| H91 | C9 | H92 | 108.7° | 109.4° |
| N1 | C8 | H81 | 107.4° | 109.5° |
| N1 | C8 | H82 | 108.3° | 109.4° |
| C8 | N1 | C7 | 107.2° | 106.7° |
| C8 | N1 | C2 | 111.3° | 106.7° |
| H81 | C8 | H82 | 112.3° | 109.6° |
| C7 | N1 | C2 | 112.0° | 107.4° |
| N1 | C7 | C5 | 110.7° | 109.8° |
| N1 | C7 | H71 | 108.8° | 109.5° |
| N1 | C7 | H72 | 109.0° | 109.4° |
| N1 | C2 | C3 | 110.5° | 109.8° |
| N1 | C2 | H21 | 108.9° | 109.5° |
| N1 | C2 | H22 | 109.1° | 109.3° |
| C5 | C7 | H71 | 108.7° | 109.4° |
| C5 | C7 | H72 | 109.1° | 109.4° |
| C7 | C5 | C4 | 110.9° | 109.2° |
| C7 | C5 | C6 | 109.7° | 109.5° |
| C7 | C5 | H5 | 109.6° | 109.5° |
| H71 | C7 | H72 | 110.5° | 109.3° |
| C3 | C2 | H21 | 108.9° | 109.5° |
| C3 | C2 | H22 | 109.1° | 109.5° |
| C2 | C3 | O3 | 109.4° | 109.5° |
| C2 | C3 | C4 | 111.7° | 109.2° |
| C2 | C3 | H3 | 107.9° | 109.5° |
| H21 | C2 | H22 | 110.3° | 109.3° |
| O3 | C3 | C4 | 109.0° | 109.5° |
| O3 | C3 | H3 | 110.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C3 | C4 | O4 | 109.1° | 109.6° |
| C3 | C4 | C5 | 111.1° | 108.9° |
| C3 | C4 | H4 | 109.1° | 109.6° |
| O4 | C4 | C5 | 110.8° | 109.7° |
| O4 | C4 | H4 | 109.3° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| C5 | C4 | H4 | 107.3° | 109.5° |
| C4 | C5 | C6 | 113.1° | 109.5° |
| C4 | C5 | H5 | 106.1° | 109.5° |
| C6 | C5 | H5 | 107.3° | 109.6° |
| C5 | C6 | O6 | 110.9° | 109.4° |
| C5 | C6 | H61 | 108.7° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| O6 | C6 | H61 | 108.6° | 109.5° |
| O6 | C6 | H62 | 109.0° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 106.8° |
| H61 | C6 | H62 | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.9° | 0.3° |
| C13 | C12 | C11 | C10 | 179.3° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.1° |
| C11 | C12 | C13 | H13 | 179.5° | 180.0° |
| C12 | C11 | C16 | C15 | 0.9° | 0.5° |
| C12 | C11 | C16 | C10 | 178.4° | 179.7° |
| C12 | C11 | C16 | H16 | 179.1° | 180.0° |
| C12 | C11 | C10 | C9 | 94.0° | 90.0° |
| C12 | C11 | C10 | H101 | 24.0° | 29.9° |
| C12 | C11 | C10 | H102 | 146.0° | 150.0° |
| H12 | C12 | C13 | C14 | 179.5° | 180.0° |
| H12 | C12 | C13 | H13 | 0.5° | 0.0° |
| H12 | C12 | C11 | C16 | 179.1° | 179.7° |
| H12 | C12 | C11 | C10 | 0.7° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.2° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.4° | 0.5° |
| C14 | C15 | C16 | H16 | 179.6° | 179.9° |
| H14 | C14 | C15 | C16 | 179.9° | 179.8° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C15 | C16 | C11 | H16 | 180.0° | 179.5° |
| C15 | C16 | C11 | C10 | 179.3° | 179.8° |
| H15 | C15 | C16 | C11 | 179.6° | 179.7° |
| H15 | C15 | C16 | H16 | 0.4° | 0.2° |
| C16 | C11 | C10 | C9 | 87.6° | 90.3° |
| C16 | C11 | C10 | H101 | 154.4° | 149.7° |
| C16 | C11 | C10 | H102 | 32.4° | 29.7° |
| H16 | C16 | C11 | C10 | 0.7° | 0.3° |
| C11 | C10 | C9 | H101 | 117.9° | 119.9° |
| C11 | C10 | C9 | H102 | 120.0° | 120.0° |
| C11 | C10 | H101 | H102 | 118.7° | 120.0° |
| C11 | C10 | C9 | C8 | 174.1° | 180.0° |
| C11 | C10 | C9 | H91 | 53.7° | 60.0° |
| C11 | C10 | C9 | H92 | 65.9° | 60.0° |
| C9 | C10 | H101 | H102 | 118.7° | 120.1° |
| C10 | C9 | C8 | H91 | 120.4° | 120.0° |
| C10 | C9 | C8 | H92 | 120.0° | 120.0° |
| C10 | C9 | H91 | H92 | 120.3° | 120.1° |
| C10 | C9 | C8 | N1 | 177.6° | 179.9° |
| C10 | C9 | C8 | H81 | 64.0° | 60.0° |
| C10 | C9 | C8 | H82 | 57.6° | 60.0° |
| H101 | C10 | C9 | C8 | 68.0° | 60.0° |
| H101 | C10 | C9 | H91 | 171.7° | 180.0° |
| H101 | C10 | C9 | H92 | 52.0° | 59.9° |
| H102 | C10 | C9 | C8 | 54.1° | 60.0° |
| H102 | C10 | C9 | H91 | 66.3° | 60.0° |
| H102 | C10 | C9 | H92 | 174.1° | 180.0° |
| C8 | C9 | H91 | H92 | 120.3° | 119.9° |
| C9 | C8 | N1 | H81 | 118.4° | 120.0° |
| C9 | C8 | N1 | H82 | 120.0° | 119.9° |
| C9 | C8 | H81 | H82 | 119.0° | 120.0° |
| C9 | C8 | N1 | C7 | 165.3° | 170.0° |
| C9 | C8 | N1 | C2 | 71.8° | 75.5° |
| H91 | C9 | C8 | N1 | 57.3° | 59.9° |
| H91 | C9 | C8 | H81 | 175.7° | 179.9° |
| H91 | C9 | C8 | H82 | 62.8° | 60.0° |
| H92 | C9 | C8 | N1 | 62.3° | 60.0° |
| H92 | C9 | C8 | H81 | 56.0° | 60.0° |
| H92 | C9 | C8 | H82 | 177.6° | 179.9° |
| N1 | C8 | H81 | H82 | 119.0° | 120.0° |
| C8 | N1 | C7 | C2 | 122.4° | 114.1° |
| C8 | N1 | C7 | C5 | 177.5° | 179.8° |
| C8 | N1 | C7 | H71 | 58.1° | 60.1° |
| C8 | N1 | C7 | H72 | 62.5° | 59.6° |
| C8 | N1 | C2 | C3 | 178.9° | 179.7° |
| C8 | N1 | C2 | H21 | 59.4° | 60.1° |
| C8 | N1 | C2 | H22 | 61.1° | 59.6° |
| H81 | C8 | N1 | C7 | 46.9° | 50.0° |
| H81 | C8 | N1 | C2 | 169.8° | 164.6° |
| H82 | C8 | N1 | C7 | 74.6° | 70.1° |
| H82 | C8 | N1 | C2 | 48.2° | 44.5° |
| N1 | C7 | C5 | H71 | 119.5° | 120.1° |
| N1 | C7 | C5 | H72 | 120.0° | 120.1° |
| N1 | C7 | H71 | H72 | 119.7° | 119.8° |
| C7 | N1 | C2 | C3 | 58.8° | 65.6° |
| C7 | N1 | C2 | H21 | 60.7° | 174.2° |
| C7 | N1 | C2 | H22 | 178.8° | 54.4° |
| N1 | C7 | C5 | C4 | 56.0° | 61.4° |
| N1 | C7 | C5 | C6 | 178.4° | 178.8° |
| N1 | C7 | C5 | H5 | 60.8° | 58.6° |
| C2 | N1 | C7 | C5 | 60.0° | 65.7° |
| C2 | N1 | C7 | H71 | 179.5° | 174.2° |
| C2 | N1 | C7 | H72 | 60.0° | 54.5° |
| N1 | C2 | C3 | H21 | 119.6° | 120.2° |
| N1 | C2 | C3 | H22 | 120.0° | 120.0° |
| N1 | C2 | H21 | H22 | 119.7° | 119.8° |
| N1 | C2 | C3 | O3 | 175.2° | 178.7° |
| N1 | C2 | C3 | C4 | 54.5° | 61.3° |
| N1 | C2 | C3 | H3 | 64.4° | 58.6° |
| C5 | C7 | H71 | H72 | 119.7° | 119.8° |
| C7 | C5 | C4 | C3 | 52.2° | 55.5° |
| C7 | C5 | C4 | O4 | 173.8° | 175.4° |
| C7 | C5 | C4 | C6 | 123.7° | 119.9° |
| C7 | C5 | C4 | H5 | 119.0° | 120.0° |
| C7 | C5 | C4 | H4 | 66.9° | 64.2° |
| C7 | C5 | C6 | H5 | 119.0° | 120.2° |
| C7 | C5 | C6 | O6 | 73.1° | 65.2° |
| C7 | C5 | C6 | H61 | 167.5° | 54.8° |
| C7 | C5 | C6 | H62 | 46.9° | 174.9° |
| H71 | C7 | C5 | C4 | 175.5° | 178.5° |
| H71 | C7 | C5 | C6 | 58.9° | 58.6° |
| H71 | C7 | C5 | H5 | 58.7° | 61.5° |
| H72 | C7 | C5 | C4 | 64.0° | 58.7° |
| H72 | C7 | C5 | C6 | 61.6° | 61.1° |
| H72 | C7 | C5 | H5 | 179.2° | 178.7° |
| C3 | C2 | H21 | H22 | 119.7° | 119.9° |
| C2 | C3 | O3 | C4 | 122.3° | 119.8° |
| C2 | C3 | O3 | H3 | 118.7° | 120.1° |
| C2 | C3 | C4 | H3 | 118.6° | 119.9° |
| C2 | C3 | O3 | HO3 | 154.4° | 60.0° |
| C2 | C3 | C4 | O4 | 174.1° | 175.5° |
| C2 | C3 | C4 | C5 | 51.6° | 55.5° |
| C2 | C3 | C4 | H4 | 66.5° | 64.2° |
| H21 | C2 | C3 | O3 | 55.7° | 58.5° |
| H21 | C2 | C3 | C4 | 65.1° | 178.5° |
| H21 | C2 | C3 | H3 | 176.0° | 61.6° |
| H22 | C2 | C3 | O3 | 64.8° | 61.3° |
| H22 | C2 | C3 | C4 | 174.5° | 58.7° |
| H22 | C2 | C3 | H3 | 55.6° | 178.6° |
| O3 | C3 | C4 | H3 | 120.4° | 120.1° |
| O3 | C3 | C4 | O4 | 64.9° | 64.5° |
| O3 | C3 | C4 | C5 | 172.6° | 175.5° |
| O3 | C3 | C4 | H4 | 54.4° | 55.7° |
| C4 | C3 | O3 | HO3 | 83.2° | 179.8° |
| C3 | C4 | O4 | C5 | 122.7° | 119.5° |
| C3 | C4 | O4 | H4 | 119.2° | 120.2° |
| C3 | C4 | C5 | H4 | 119.2° | 119.8° |
| C3 | C4 | O4 | HO4 | 113.6° | 60.0° |
| C3 | C4 | C5 | C6 | 176.0° | 175.4° |
| C3 | C4 | C5 | H5 | 66.7° | 64.4° |
| H3 | C3 | O3 | HO3 | 35.7° | 60.1° |
| H3 | C3 | C4 | O4 | 55.5° | 55.6° |
| H3 | C3 | C4 | C5 | 67.0° | 64.4° |
| H3 | C3 | C4 | H4 | 174.8° | 175.9° |
| O4 | C4 | C5 | H4 | 119.3° | 120.3° |
| O4 | C4 | C5 | C6 | 62.5° | 64.7° |
| O4 | C4 | C5 | H5 | 54.8° | 55.5° |
| C5 | C4 | O4 | HO4 | 9.1° | 179.5° |
| C4 | C5 | C6 | H5 | 116.6° | 120.1° |
| C4 | C5 | C6 | O6 | 51.3° | 175.1° |
| C4 | C5 | C6 | H61 | 68.1° | 64.9° |
| C4 | C5 | C6 | H62 | 171.3° | 55.2° |
| H4 | C4 | O4 | HO4 | 127.2° | 60.2° |
| H4 | C4 | C5 | C6 | 56.8° | 55.7° |
| H4 | C4 | C5 | H5 | 174.1° | 175.8° |
| C5 | C6 | O6 | H61 | 119.4° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 119.6° | 120.0° |
| C5 | C6 | O6 | HO6 | 72.6° | 179.9° |
| H5 | C5 | C6 | O6 | 167.9° | 55.0° |
| H5 | C5 | C6 | H61 | 48.5° | 175.0° |
| H5 | C5 | C6 | H62 | 72.1° | 64.9° |
| O6 | C6 | H61 | H62 | 119.6° | 120.0° |
| H61 | C6 | O6 | HO6 | 46.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 167.4° | 60.0° |
