GMT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| O5 | C1 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| O7 | C7 | doub | 1.21Å | 1.21Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| O3 | C3 | sing | 1.43Å | 1.46Å | |
| O13 | C10 | doub | 1.21Å | 1.25Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C10 | O14 | sing | 1.34Å | 1.26Å | |
| O1 | C9 | sing | 1.43Å | 1.44Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| O16 | C12 | doub | 1.21Å | 1.26Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | O15 | sing | 1.34Å | 1.26Å | |
| O15 | H1A | sing | 0.97Å | 0.95Å | |
| C11 | H2A | sing | 1.09Å | 1.10Å | |
| C11 | H3A | sing | 1.09Å | 1.10Å | |
| C9 | H4A | sing | 1.09Å | 1.10Å | |
| O14 | H5A | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 111.2° | 109.4° |
| O6 | C6 | H61 | 109.0° | 109.5° |
| O6 | C6 | H62 | 109.0° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 110.7° | 109.5° |
| C6 | C5 | C4 | 114.9° | 109.5° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C5 | C6 | H61 | 109.0° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.4° |
| C5 | O5 | C1 | 112.6° | 114.1° |
| O5 | C5 | C4 | 108.1° | 109.4° |
| O5 | C5 | H5 | 108.5° | 109.5° |
| O5 | C1 | C2 | 109.0° | 109.4° |
| O5 | C1 | O1 | 112.2° | 109.5° |
| O5 | C1 | H1 | 107.9° | 109.5° |
| C5 | C4 | O4 | 109.6° | 109.5° |
| C5 | C4 | C3 | 109.4° | 109.2° |
| C4 | C5 | H5 | 107.3° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| O4 | C4 | C3 | 112.1° | 109.5° |
| O4 | C4 | H4 | 109.4° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | C2 | 109.3° | 109.0° |
| C4 | C3 | O3 | 110.6° | 109.5° |
| C3 | C4 | H4 | 108.0° | 109.6° |
| C4 | C3 | H3 | 108.0° | 109.6° |
| O7 | C7 | N2 | 121.1° | 120.0° |
| O7 | C7 | C8 | 120.4° | 120.0° |
| C2 | C1 | O1 | 112.8° | 109.5° |
| C1 | C2 | C3 | 112.6° | 109.2° |
| C1 | C2 | N2 | 105.6° | 109.5° |
| C2 | C1 | H1 | 106.8° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| C1 | O1 | C9 | 116.0° | 114.0° |
| O1 | C1 | H1 | 107.8° | 109.5° |
| C3 | C2 | N2 | 112.2° | 109.5° |
| C2 | C3 | O3 | 111.5° | 109.6° |
| C2 | C3 | H3 | 108.2° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C2 | N2 | C7 | 123.6° | 120.0° |
| N2 | C2 | H2 | 109.3° | 109.6° |
| C2 | N2 | HN2 | 118.2° | 120.0° |
| O3 | C3 | H3 | 109.2° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| O13 | C10 | C9 | 116.3° | 120.0° |
| O13 | C10 | O14 | 124.2° | 120.0° |
| N2 | C7 | C8 | 118.5° | 119.9° |
| C7 | N2 | HN2 | 118.2° | 120.1° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.4° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| C9 | C10 | O14 | 119.5° | 120.0° |
| C10 | C9 | O1 | 112.8° | 109.5° |
| C10 | C9 | C11 | 105.7° | 109.4° |
| C10 | C9 | H4A | 108.5° | 109.5° |
| C10 | O14 | H5A | 109.5° | 117.0° |
| O1 | C9 | C11 | 112.4° | 109.5° |
| O1 | C9 | H4A | 109.2° | 109.5° |
| C9 | C11 | C12 | 110.6° | 109.4° |
| C9 | C11 | H2A | 109.2° | 109.5° |
| C9 | C11 | H3A | 109.2° | 109.5° |
| C11 | C9 | H4A | 108.1° | 109.5° |
| O16 | C12 | C11 | 119.9° | 120.0° |
| O16 | C12 | O15 | 123.4° | 120.0° |
| C11 | C12 | O15 | 116.7° | 120.0° |
| C12 | C11 | H2A | 109.2° | 109.5° |
| C12 | C11 | H3A | 109.2° | 109.4° |
| C12 | O15 | H1A | 109.5° | 117.0° |
| H2A | C11 | H3A | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.4° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 120.3° | 120.0° |
| O6 | C6 | C5 | H62 | 120.3° | 119.9° |
| O6 | C6 | C5 | O5 | 55.3° | 65.0° |
| O6 | C6 | C5 | C4 | 67.4° | 175.1° |
| O6 | C6 | C5 | H5 | 173.5° | 55.0° |
| O6 | C6 | H61 | H62 | 119.2° | 120.0° |
| C6 | C5 | O5 | C4 | 126.6° | 120.0° |
| C6 | C5 | O5 | H5 | 117.4° | 120.0° |
| C6 | C5 | O5 | C1 | 166.4° | 178.8° |
| C6 | C5 | C4 | H5 | 119.1° | 120.0° |
| C6 | C5 | C4 | O4 | 50.8° | 62.5° |
| C6 | C5 | C4 | C3 | 174.1° | 177.6° |
| C5 | C6 | H61 | H62 | 119.2° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 68.5° | 57.6° |
| O5 | C5 | C4 | H5 | 116.8° | 119.9° |
| O5 | C5 | C4 | O4 | 174.9° | 177.5° |
| O5 | C5 | C4 | C3 | 61.8° | 57.6° |
| C5 | O5 | C1 | C2 | 61.6° | 61.1° |
| C5 | O5 | C1 | O1 | 64.1° | 58.8° |
| C5 | O5 | C1 | H1 | 177.2° | 178.9° |
| O5 | C5 | C6 | H61 | 175.6° | 175.0° |
| O5 | C5 | C6 | H62 | 64.9° | 55.0° |
| O5 | C5 | C4 | H4 | 55.6° | 62.4° |
| C1 | O5 | C5 | C4 | 67.1° | 61.1° |
| O5 | C1 | C2 | O1 | 125.4° | 120.0° |
| O5 | C1 | C2 | H1 | 116.4° | 120.0° |
| O5 | C1 | O1 | H1 | 118.7° | 120.1° |
| O5 | C1 | C2 | C3 | 52.5° | 57.6° |
| O5 | C1 | C2 | N2 | 175.3° | 177.5° |
| O5 | C1 | O1 | C9 | 80.6° | 72.7° |
| C1 | O5 | C5 | H5 | 49.0° | 58.8° |
| O5 | C1 | C2 | H2 | 67.7° | 62.3° |
| C5 | C4 | O4 | C3 | 121.7° | 119.7° |
| C5 | C4 | O4 | H4 | 118.6° | 120.1° |
| C5 | C4 | C3 | H4 | 117.6° | 120.0° |
| C5 | C4 | C3 | C2 | 54.1° | 57.0° |
| C5 | C4 | C3 | O3 | 177.1° | 177.0° |
| C4 | C5 | C6 | H61 | 52.9° | 55.1° |
| C4 | C5 | C6 | H62 | 172.4° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C5 | C4 | C3 | H3 | 63.4° | 62.9° |
| O4 | C4 | C3 | H4 | 120.6° | 120.1° |
| O4 | C4 | C3 | C2 | 175.9° | 176.9° |
| O4 | C4 | C3 | O3 | 61.0° | 63.1° |
| O4 | C4 | C5 | H5 | 68.3° | 57.6° |
| O4 | C4 | C3 | H3 | 58.4° | 57.0° |
| C4 | C3 | C2 | C1 | 50.1° | 57.0° |
| C4 | C3 | C2 | O3 | 122.6° | 119.9° |
| C4 | C3 | C2 | H3 | 117.4° | 119.9° |
| C4 | C3 | C2 | N2 | 169.1° | 176.9° |
| C4 | C3 | O3 | H3 | 118.7° | 120.2° |
| C3 | C4 | C5 | H5 | 55.0° | 62.3° |
| C3 | C4 | O4 | HO4 | 58.3° | 179.7° |
| C4 | C3 | O3 | HO3 | 180.0° | 59.9° |
| C4 | C3 | C2 | H2 | 70.1° | 62.9° |
| O7 | C7 | N2 | C2 | 0.7° | 0.0° |
| O7 | C7 | N2 | C8 | 179.6° | 180.0° |
| O7 | C7 | N2 | HN2 | 179.3° | 180.0° |
| O7 | C7 | C8 | H81 | 0.0° | 180.0° |
| O7 | C7 | C8 | H82 | 120.0° | 60.0° |
| O7 | C7 | C8 | H83 | 120.0° | 59.9° |
| C2 | C1 | O1 | H1 | 117.7° | 120.0° |
| C1 | C2 | C3 | N2 | 119.0° | 119.9° |
| C1 | C2 | C3 | H2 | 120.2° | 119.9° |
| C1 | C2 | N2 | H2 | 116.5° | 120.2° |
| C1 | C2 | C3 | O3 | 172.7° | 176.9° |
| C1 | C2 | N2 | C7 | 116.4° | 85.0° |
| C2 | C1 | O1 | C9 | 155.7° | 167.3° |
| C1 | C2 | C3 | H3 | 67.3° | 62.9° |
| C1 | C2 | N2 | HN2 | 63.6° | 95.0° |
| O1 | C1 | C2 | C3 | 72.9° | 62.4° |
| O1 | C1 | C2 | N2 | 49.9° | 57.6° |
| C1 | O1 | C9 | C10 | 90.0° | 113.1° |
| C1 | O1 | C9 | C11 | 150.7° | 126.9° |
| C1 | O1 | C9 | H4A | 30.7° | 6.9° |
| O1 | C1 | C2 | H2 | 166.9° | 177.8° |
| C3 | C2 | N2 | H2 | 120.5° | 120.1° |
| C2 | C3 | O3 | H3 | 119.5° | 120.2° |
| C3 | C2 | N2 | C7 | 120.6° | 155.3° |
| C3 | C2 | C1 | H1 | 168.9° | 177.6° |
| C2 | C3 | C4 | H4 | 63.6° | 63.0° |
| C2 | C3 | O3 | HO3 | 58.2° | 179.6° |
| C3 | C2 | N2 | HN2 | 59.4° | 24.7° |
| N2 | C2 | C3 | O3 | 68.3° | 63.2° |
| C2 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C2 | N2 | C7 | C8 | 179.7° | 180.0° |
| N2 | C2 | C1 | H1 | 68.4° | 62.5° |
| N2 | C2 | C3 | H3 | 51.7° | 57.0° |
| O3 | C3 | C4 | H4 | 59.5° | 57.0° |
| O3 | C3 | C2 | H2 | 52.5° | 57.0° |
| O13 | C10 | C9 | O14 | 177.8° | 180.0° |
| O13 | C10 | C9 | O1 | 135.1° | 8.1° |
| O13 | C10 | C9 | C11 | 101.8° | 111.9° |
| O13 | C10 | C9 | H4A | 13.9° | 128.2° |
| O13 | C10 | O14 | H5A | 0.0° | 0.1° |
| C7 | N2 | C2 | H2 | 0.1° | 35.2° |
| N2 | C7 | C8 | H81 | 179.6° | 0.0° |
| N2 | C7 | C8 | H82 | 59.6° | 120.1° |
| N2 | C7 | C8 | H83 | 60.4° | 120.0° |
| C8 | C7 | N2 | HN2 | 0.3° | 0.0° |
| C7 | C8 | H81 | H82 | 120.0° | 120.1° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| C10 | C9 | O1 | C11 | 119.3° | 120.0° |
| C10 | C9 | O1 | H4A | 120.7° | 120.0° |
| C10 | C9 | C11 | H4A | 116.0° | 120.0° |
| C10 | C9 | C11 | C12 | 174.0° | 175.0° |
| C10 | C9 | C11 | H2A | 65.9° | 55.0° |
| C10 | C9 | C11 | H3A | 53.8° | 65.0° |
| C9 | C10 | O14 | H5A | 177.6° | 180.0° |
| O14 | C10 | C9 | O1 | 47.2° | 171.9° |
| O14 | C10 | C9 | C11 | 75.9° | 68.1° |
| O14 | C10 | C9 | H4A | 168.3° | 51.9° |
| O1 | C9 | C11 | H4A | 120.6° | 120.0° |
| O1 | C9 | C11 | C12 | 62.7° | 65.0° |
| O1 | C9 | C11 | H2A | 57.5° | 175.0° |
| O1 | C9 | C11 | H3A | 177.2° | 55.0° |
| C9 | O1 | C1 | H1 | 38.1° | 47.3° |
| C9 | C11 | C12 | O16 | 61.3° | 0.0° |
| C9 | C11 | C12 | H2A | 120.2° | 120.0° |
| C9 | C11 | C12 | H3A | 120.2° | 120.0° |
| C9 | C11 | C12 | O15 | 118.3° | 179.8° |
| C9 | C11 | H2A | H3A | 119.5° | 120.1° |
| O16 | C12 | C11 | O15 | 179.6° | 179.8° |
| O16 | C12 | O15 | H1A | 0.0° | 0.1° |
| O16 | C12 | C11 | H2A | 178.5° | 119.9° |
| O16 | C12 | C11 | H3A | 58.9° | 120.0° |
| C11 | C12 | O15 | H1A | 179.6° | 179.8° |
| C12 | C11 | H2A | H3A | 119.5° | 120.0° |
| C12 | C11 | C9 | H4A | 57.9° | 55.0° |
| O15 | C12 | C11 | H2A | 1.9° | 60.3° |
| O15 | C12 | C11 | H3A | 121.5° | 59.8° |
| H2A | C11 | C9 | H4A | 178.1° | 64.9° |
| H3A | C11 | C9 | H4A | 62.2° | 175.0° |
| H1 | C1 | C2 | H2 | 48.7° | 57.7° |
| H5 | C5 | C6 | H61 | 66.2° | 65.0° |
| H5 | C5 | C6 | H62 | 53.2° | 175.0° |
| H5 | C5 | C4 | H4 | 172.5° | 177.6° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.7° | 60.1° |
| H4 | C4 | O4 | HO4 | 61.5° | 60.1° |
| H4 | C4 | C3 | H3 | 178.9° | 177.1° |
| H3 | C3 | O3 | HO3 | 61.3° | 60.2° |
| H3 | C3 | C2 | H2 | 172.6° | 177.2° |
| H2 | C2 | N2 | HN2 | 179.9° | 144.8° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
