H62
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C7 | doub | 1.21Å | 1.25Å | |
| C7 | O4 | sing | 1.34Å | 1.26Å | |
| C7 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C2 | O3 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N1 | C6 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| O1 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C7 | O4 | 121.6° | 120.0° |
| O5 | C7 | C1 | 119.7° | 120.0° |
| O4 | C7 | C1 | 118.8° | 120.0° |
| C7 | O4 | H1 | 109.5° | 116.9° |
| C7 | C1 | C2 | 107.8° | 109.5° |
| C7 | C1 | C6 | 111.0° | 109.5° |
| C7 | C1 | H2 | 108.8° | 109.5° |
| C2 | C1 | C6 | 112.3° | 109.4° |
| C1 | C2 | O3 | 110.1° | 109.5° |
| C1 | C2 | C3 | 113.7° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.5° |
| C1 | C2 | H13 | 108.2° | 109.5° |
| C1 | C6 | N1 | 111.0° | 109.5° |
| C1 | C6 | C5 | 111.8° | 109.5° |
| C6 | C1 | H2 | 108.4° | 109.4° |
| C1 | C6 | H3 | 107.0° | 109.4° |
| O3 | C2 | C3 | 107.4° | 109.5° |
| O3 | C2 | H13 | 109.3° | 109.5° |
| C2 | O3 | H14 | 109.5° | 114.1° |
| C2 | C3 | O1 | 111.0° | 109.5° |
| C2 | C3 | C4 | 110.1° | 109.5° |
| C2 | C3 | H11 | 107.3° | 109.5° |
| C3 | C2 | H13 | 108.2° | 109.4° |
| N1 | C6 | C5 | 111.8° | 109.5° |
| N1 | C6 | H3 | 107.7° | 109.5° |
| C6 | N1 | H4 | 109.5° | 111.0° |
| C6 | N1 | H5 | 109.5° | 111.0° |
| C6 | C5 | C4 | 106.3° | 109.5° |
| C5 | C6 | H3 | 107.1° | 109.5° |
| C6 | C5 | H7 | 110.3° | 109.4° |
| C6 | C5 | H8 | 110.3° | 109.5° |
| O1 | C3 | C4 | 112.3° | 109.5° |
| O1 | C3 | H11 | 108.6° | 109.5° |
| C3 | O1 | H12 | 109.5° | 114.0° |
| C3 | C4 | C5 | 107.1° | 109.4° |
| C3 | C4 | O2 | 109.8° | 109.5° |
| C3 | C4 | H9 | 108.5° | 109.5° |
| C4 | C3 | H11 | 107.3° | 109.5° |
| C5 | C4 | O2 | 113.1° | 109.4° |
| C4 | C5 | H7 | 110.2° | 109.5° |
| C4 | C5 | H8 | 110.2° | 109.4° |
| C5 | C4 | H9 | 108.4° | 109.5° |
| O2 | C4 | H9 | 109.8° | 109.5° |
| C4 | O2 | H10 | 109.5° | 114.0° |
| H4 | N1 | H5 | 109.4° | 111.0° |
| H7 | C5 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C7 | O4 | C1 | 179.6° | 179.7° |
| O5 | C7 | C1 | C2 | 75.0° | 120.0° |
| O5 | C7 | C1 | C6 | 161.7° | 0.0° |
| O5 | C7 | O4 | H1 | 0.0° | 0.0° |
| O5 | C7 | C1 | H2 | 42.5° | 120.0° |
| O4 | C7 | C1 | C2 | 104.6° | 59.8° |
| O4 | C7 | C1 | C6 | 18.7° | 179.7° |
| O4 | C7 | C1 | H2 | 137.9° | 60.3° |
| C7 | C1 | C2 | C6 | 122.5° | 120.0° |
| C7 | C1 | C2 | H2 | 117.7° | 120.1° |
| C7 | C1 | C6 | H2 | 119.4° | 120.0° |
| C7 | C1 | C2 | O3 | 56.8° | 60.0° |
| C7 | C1 | C2 | C3 | 177.3° | 180.0° |
| C7 | C1 | C6 | N1 | 87.2° | 60.0° |
| C7 | C1 | C6 | C5 | 147.2° | 180.0° |
| C1 | C7 | O4 | H1 | 179.6° | 179.7° |
| C7 | C1 | C6 | H3 | 30.2° | 60.0° |
| C7 | C1 | C2 | H13 | 62.6° | 60.0° |
| C2 | C1 | C6 | H2 | 119.9° | 120.0° |
| C1 | C2 | O3 | C3 | 124.2° | 120.0° |
| C1 | C2 | O3 | H13 | 118.7° | 120.0° |
| C1 | C2 | C3 | H13 | 120.2° | 120.0° |
| C2 | C1 | C6 | N1 | 152.1° | 180.0° |
| C2 | C1 | C6 | C5 | 26.5° | 60.0° |
| C1 | C2 | C3 | O1 | 110.2° | 60.0° |
| C1 | C2 | C3 | C4 | 14.8° | 60.0° |
| C2 | C1 | C6 | H3 | 90.6° | 60.0° |
| C1 | C2 | C3 | H11 | 131.3° | 180.0° |
| C1 | C2 | O3 | H14 | 180.0° | 180.0° |
| C6 | C1 | C2 | O3 | 65.7° | 60.0° |
| C6 | C1 | C2 | C3 | 54.8° | 60.0° |
| C1 | C6 | N1 | C5 | 125.7° | 120.0° |
| C1 | C6 | N1 | H3 | 116.9° | 120.0° |
| C1 | C6 | C5 | H3 | 117.0° | 120.0° |
| C1 | C6 | C5 | C4 | 35.5° | 60.0° |
| C1 | C6 | N1 | H4 | 180.0° | 180.0° |
| C1 | C6 | N1 | H5 | 60.0° | 56.1° |
| C1 | C6 | C5 | H7 | 84.0° | 180.0° |
| C1 | C6 | C5 | H8 | 154.9° | 60.0° |
| C6 | C1 | C2 | H13 | 174.9° | 180.0° |
| O3 | C2 | C3 | H13 | 117.8° | 120.0° |
| O3 | C2 | C3 | O1 | 127.8° | 180.0° |
| O3 | C2 | C3 | C4 | 107.2° | 60.0° |
| O3 | C2 | C1 | H2 | 174.5° | 180.0° |
| O3 | C2 | C3 | H11 | 9.3° | 60.0° |
| C2 | C3 | O1 | C4 | 123.8° | 120.0° |
| C2 | C3 | O1 | H11 | 117.7° | 120.0° |
| C2 | C3 | C4 | H11 | 116.5° | 120.0° |
| C2 | C3 | C4 | C5 | 49.0° | 60.0° |
| C2 | C3 | C4 | O2 | 172.2° | 59.9° |
| C3 | C2 | C1 | H2 | 65.0° | 59.9° |
| C2 | C3 | C4 | H9 | 67.8° | 180.0° |
| C2 | C3 | O1 | H12 | 180.0° | 180.0° |
| C3 | C2 | O3 | H14 | 55.8° | 60.0° |
| N1 | C6 | C5 | H3 | 117.8° | 120.0° |
| N1 | C6 | C5 | C4 | 89.8° | 180.0° |
| N1 | C6 | C1 | H2 | 32.2° | 60.0° |
| C6 | N1 | H4 | H5 | 120.0° | 123.9° |
| N1 | C6 | C5 | H7 | 150.8° | 60.0° |
| N1 | C6 | C5 | H8 | 29.7° | 60.0° |
| C6 | C5 | C4 | C3 | 77.0° | 60.0° |
| C6 | C5 | C4 | H7 | 119.5° | 120.0° |
| C6 | C5 | C4 | H8 | 119.5° | 120.0° |
| C6 | C5 | C4 | O2 | 161.9° | 60.0° |
| C5 | C6 | C1 | H2 | 93.4° | 60.0° |
| C5 | C6 | N1 | H4 | 54.3° | 60.0° |
| C5 | C6 | N1 | H5 | 174.3° | 176.0° |
| C6 | C5 | H7 | H8 | 121.5° | 120.0° |
| C6 | C5 | C4 | H9 | 39.9° | 180.0° |
| O1 | C3 | C4 | H11 | 119.3° | 120.0° |
| O1 | C3 | C4 | C5 | 173.3° | 60.0° |
| O1 | C3 | C4 | O2 | 63.6° | 180.0° |
| O1 | C3 | C4 | H9 | 56.5° | 60.0° |
| O1 | C3 | C2 | H13 | 9.9° | 60.0° |
| C3 | C4 | C5 | O2 | 121.1° | 120.0° |
| C3 | C4 | C5 | H9 | 116.9° | 120.0° |
| C3 | C4 | O2 | H9 | 119.2° | 120.0° |
| C3 | C4 | C5 | H7 | 42.5° | 180.0° |
| C3 | C4 | C5 | H8 | 163.5° | 60.0° |
| C3 | C4 | O2 | H10 | 180.0° | 180.0° |
| C4 | C3 | O1 | H12 | 56.3° | 60.0° |
| C4 | C3 | C2 | H13 | 135.0° | 180.0° |
| C5 | C4 | O2 | H9 | 121.2° | 120.0° |
| C4 | C5 | C6 | H3 | 152.4° | 60.0° |
| C4 | C5 | H7 | H8 | 121.4° | 120.0° |
| C5 | C4 | O2 | H10 | 60.4° | 60.1° |
| C5 | C4 | C3 | H11 | 67.4° | 180.0° |
| O2 | C4 | C5 | H7 | 78.6° | 60.0° |
| O2 | C4 | C5 | H8 | 42.4° | 180.0° |
| O2 | C4 | C3 | H11 | 55.7° | 60.0° |
| H2 | C1 | C6 | H3 | 149.6° | 180.0° |
| H2 | C1 | C2 | H13 | 55.1° | 60.0° |
| H3 | C6 | N1 | H4 | 63.1° | 60.0° |
| H3 | C6 | N1 | H5 | 56.9° | 63.9° |
| H3 | C6 | C5 | H7 | 32.9° | 60.0° |
| H3 | C6 | C5 | H8 | 88.1° | 179.9° |
| H7 | C5 | C4 | H9 | 159.4° | 60.0° |
| H8 | C5 | C4 | H9 | 79.6° | 60.0° |
| H9 | C4 | O2 | H10 | 60.8° | 60.0° |
| H9 | C4 | C3 | H11 | 175.7° | 60.0° |
| H11 | C3 | O1 | H12 | 62.3° | 60.1° |
| H11 | C3 | C2 | H13 | 108.6° | 60.0° |
| H13 | C2 | O3 | H14 | 61.3° | 60.0° |
