A1H9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C2 | C7 | sing | 1.53Å | 1.54Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 113.8° | 111.0° |
| C1 | N1 | H4 | 108.4° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C2 | C3 | 107.1° | 109.5° |
| N1 | C2 | C4 | 110.2° | 109.6° |
| N1 | C2 | C7 | 110.3° | 109.5° |
| C2 | N1 | H4 | 108.4° | 111.1° |
| C2 | C3 | O1 | 111.8° | 109.5° |
| C3 | C2 | C4 | 111.4° | 109.5° |
| C3 | C2 | C7 | 110.2° | 109.6° |
| C2 | C3 | H6 | 108.9° | 109.5° |
| C2 | C3 | H5 | 108.9° | 109.4° |
| O1 | C3 | H6 | 108.9° | 109.4° |
| O1 | C3 | H5 | 108.9° | 109.5° |
| C3 | O1 | H7 | 109.5° | 114.0° |
| C2 | C4 | C5 | 110.4° | 109.1° |
| C4 | C2 | C7 | 107.6° | 109.1° |
| C2 | C4 | H9 | 109.2° | 109.5° |
| C2 | C4 | H8 | 109.3° | 109.6° |
| C4 | C5 | O2 | 110.4° | 109.5° |
| C5 | C4 | H9 | 109.3° | 109.5° |
| C5 | C4 | H8 | 109.2° | 109.6° |
| C4 | C5 | H11 | 109.2° | 109.5° |
| C4 | C5 | H10 | 109.2° | 109.5° |
| C5 | O2 | C6 | 112.5° | 114.1° |
| O2 | C5 | H11 | 109.2° | 109.5° |
| O2 | C5 | H10 | 109.2° | 109.5° |
| O2 | C6 | C7 | 111.9° | 109.4° |
| O2 | C6 | H13 | 108.9° | 109.5° |
| O2 | C6 | H12 | 108.9° | 109.5° |
| C6 | C7 | C2 | 111.6° | 109.2° |
| C7 | C6 | H13 | 108.9° | 109.4° |
| C7 | C6 | H12 | 108.9° | 109.5° |
| C6 | C7 | H15 | 108.9° | 109.5° |
| C6 | C7 | H14 | 108.9° | 109.5° |
| C2 | C7 | H15 | 109.0° | 109.5° |
| C2 | C7 | H14 | 109.0° | 109.6° |
| H9 | C4 | H8 | 109.5° | 109.6° |
| H11 | C5 | H10 | 109.5° | 109.4° |
| H13 | C6 | H12 | 109.5° | 109.5° |
| H15 | C7 | H14 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H6 | C3 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 120.6° | 124.0° |
| C1 | N1 | C2 | C3 | 59.9° | 58.4° |
| C1 | N1 | C2 | C4 | 61.4° | 61.8° |
| C1 | N1 | C2 | C7 | 179.9° | 178.6° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H3 | H2 | 120.0° | 120.0° |
| N1 | C2 | C3 | C4 | 120.6° | 120.2° |
| N1 | C2 | C3 | C7 | 120.0° | 120.2° |
| N1 | C2 | C3 | O1 | 137.5° | 54.8° |
| N1 | C2 | C4 | C7 | 120.3° | 119.9° |
| N1 | C2 | C4 | C5 | 115.3° | 62.9° |
| N1 | C2 | C7 | C6 | 170.9° | 62.9° |
| N1 | C2 | C4 | H9 | 4.8° | 177.2° |
| N1 | C2 | C4 | H8 | 124.5° | 57.0° |
| N1 | C2 | C7 | H15 | 50.6° | 57.0° |
| N1 | C2 | C7 | H14 | 68.8° | 177.1° |
| C2 | N1 | C1 | H1 | 180.0° | 177.8° |
| C2 | N1 | C1 | H3 | 60.0° | 57.8° |
| C2 | N1 | C1 | H2 | 60.0° | 62.2° |
| N1 | C2 | C3 | H6 | 17.1° | 174.8° |
| N1 | C2 | C3 | H5 | 102.2° | 65.2° |
| C2 | C3 | O1 | H6 | 120.3° | 120.0° |
| C2 | C3 | O1 | H5 | 120.3° | 119.9° |
| C3 | C2 | C4 | C7 | 121.0° | 119.9° |
| C3 | C2 | C4 | C5 | 125.9° | 176.9° |
| C3 | C2 | C7 | C6 | 71.1° | 176.9° |
| C3 | C2 | N1 | H4 | 60.7° | 65.6° |
| C3 | C2 | C4 | H9 | 113.9° | 57.0° |
| C3 | C2 | C4 | H8 | 5.8° | 63.2° |
| C3 | C2 | C7 | H15 | 168.6° | 63.2° |
| C3 | C2 | C7 | H14 | 49.3° | 56.9° |
| C2 | C3 | H6 | H5 | 118.9° | 120.0° |
| C2 | C3 | O1 | H7 | 180.0° | 179.9° |
| O1 | C3 | C2 | C4 | 16.9° | 175.0° |
| O1 | C3 | C2 | C7 | 102.5° | 65.4° |
| O1 | C3 | H6 | H5 | 119.0° | 120.0° |
| C2 | C4 | C5 | H9 | 120.1° | 119.9° |
| C2 | C4 | C5 | H8 | 120.1° | 119.9° |
| C2 | C4 | C5 | O2 | 61.2° | 57.6° |
| C4 | C2 | C7 | C6 | 50.6° | 57.0° |
| C4 | C2 | N1 | H4 | 178.0° | 174.2° |
| C2 | C4 | H9 | H8 | 119.6° | 120.2° |
| C2 | C4 | C5 | H11 | 58.9° | 62.4° |
| C2 | C4 | C5 | H10 | 178.6° | 177.6° |
| C4 | C2 | C7 | H15 | 69.7° | 176.9° |
| C4 | C2 | C7 | H14 | 171.0° | 62.9° |
| C4 | C2 | C3 | H6 | 103.4° | 65.0° |
| C4 | C2 | C3 | H5 | 137.3° | 55.0° |
| C4 | C5 | O2 | H11 | 120.1° | 120.0° |
| C4 | C5 | O2 | H10 | 120.1° | 120.0° |
| C4 | C5 | O2 | C6 | 59.4° | 61.2° |
| C5 | C4 | C2 | C7 | 5.0° | 57.0° |
| C5 | C4 | H9 | H8 | 119.6° | 120.2° |
| C4 | C5 | H11 | H10 | 119.6° | 120.0° |
| C5 | O2 | C6 | C7 | 0.8° | 61.1° |
| O2 | C5 | C4 | H9 | 178.7° | 62.3° |
| O2 | C5 | C4 | H8 | 58.9° | 177.6° |
| O2 | C5 | H11 | H10 | 119.6° | 120.0° |
| C5 | O2 | C6 | H13 | 119.6° | 178.9° |
| C5 | O2 | C6 | H12 | 121.2° | 58.8° |
| O2 | C6 | C7 | H13 | 120.4° | 120.0° |
| O2 | C6 | C7 | H12 | 120.4° | 120.0° |
| O2 | C6 | C7 | C2 | 55.9° | 57.6° |
| C6 | O2 | C5 | H11 | 60.7° | 58.9° |
| C6 | O2 | C5 | H10 | 179.6° | 178.8° |
| O2 | C6 | H13 | H12 | 118.9° | 120.1° |
| O2 | C6 | C7 | H15 | 64.5° | 177.5° |
| O2 | C6 | C7 | H14 | 176.2° | 62.4° |
| C6 | C7 | C2 | H15 | 120.3° | 119.9° |
| C6 | C7 | C2 | H14 | 120.3° | 119.9° |
| C7 | C6 | H13 | H12 | 118.9° | 120.0° |
| C6 | C7 | H15 | H14 | 119.0° | 120.1° |
| C7 | C2 | N1 | H4 | 59.3° | 54.6° |
| C7 | C2 | C4 | H9 | 125.1° | 62.9° |
| C7 | C2 | C4 | H8 | 115.1° | 176.9° |
| C2 | C7 | C6 | H13 | 176.2° | 177.6° |
| C2 | C7 | C6 | H12 | 64.5° | 62.4° |
| C2 | C7 | H15 | H14 | 119.1° | 120.2° |
| C7 | C2 | C3 | H6 | 137.2° | 54.6° |
| C7 | C2 | C3 | H5 | 17.8° | 174.6° |
| H4 | N1 | C1 | H1 | 59.4° | 53.7° |
| H4 | N1 | C1 | H3 | 60.6° | 66.3° |
| H4 | N1 | C1 | H2 | 179.4° | 173.8° |
| H9 | C4 | C5 | H11 | 61.2° | 177.7° |
| H9 | C4 | C5 | H10 | 58.5° | 57.7° |
| H8 | C4 | C5 | H11 | 179.0° | 57.5° |
| H8 | C4 | C5 | H10 | 61.2° | 62.5° |
| H13 | C6 | C7 | H15 | 55.9° | 62.5° |
| H13 | C6 | C7 | H14 | 63.4° | 57.6° |
| H12 | C6 | C7 | H15 | 175.1° | 57.5° |
| H12 | C6 | C7 | H14 | 55.8° | 177.6° |
| H1 | C1 | H3 | H2 | 120.0° | 120.0° |
| H6 | C3 | O1 | H7 | 59.7° | 60.1° |
| H5 | C3 | O1 | H7 | 59.7° | 60.0° |
