WH7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.54Å | |
| O | C1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C2 | N | sing | 1.47Å | 1.49Å | |
| N | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| CL | C5 | sing | 1.74Å | 1.72Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | CL1 | sing | 1.74Å | 1.71Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| O | H4 | sing | 0.97Å | 0.95Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 111.7° | 109.5° |
| C | C1 | C2 | 111.0° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C | C1 | H | 107.4° | 109.4° |
| O | C1 | C2 | 110.3° | 109.5° |
| C1 | O | H4 | 109.5° | 114.0° |
| O | C1 | H | 109.3° | 109.5° |
| C1 | C2 | N | 107.9° | 109.5° |
| C2 | C1 | H | 107.0° | 109.5° |
| C1 | C2 | H5 | 109.9° | 109.5° |
| C1 | C2 | H6 | 109.9° | 109.5° |
| C2 | N | C3 | 115.0° | 111.0° |
| C2 | N | H13 | 108.1° | 111.0° |
| N | C2 | H5 | 109.9° | 109.4° |
| N | C2 | H6 | 109.9° | 109.4° |
| N | C3 | C4 | 110.5° | 109.5° |
| C3 | N | H13 | 108.1° | 111.0° |
| N | C3 | H8 | 109.2° | 109.4° |
| N | C3 | H9 | 109.2° | 109.4° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C3 | C4 | C9 | 123.5° | 120.0° |
| C4 | C3 | H8 | 109.2° | 109.5° |
| C4 | C3 | H9 | 109.2° | 109.5° |
| C4 | C5 | CL | 118.3° | 120.0° |
| C4 | C5 | C6 | 123.4° | 120.0° |
| C5 | C4 | C9 | 115.7° | 120.0° |
| CL | C5 | C6 | 118.3° | 120.0° |
| C5 | C6 | C7 | 118.6° | 120.0° |
| C5 | C6 | H10 | 120.7° | 120.0° |
| C6 | C7 | C8 | 120.4° | 120.0° |
| C7 | C6 | H10 | 120.7° | 120.0° |
| C6 | C7 | H11 | 119.8° | 119.9° |
| C7 | C8 | C9 | 118.4° | 120.0° |
| C8 | C7 | H11 | 119.8° | 120.0° |
| C7 | C8 | H12 | 120.8° | 120.0° |
| C8 | C9 | C4 | 123.4° | 120.0° |
| C8 | C9 | CL1 | 117.7° | 120.0° |
| C9 | C8 | H12 | 120.8° | 120.0° |
| C4 | C9 | CL1 | 118.9° | 120.0° |
| H2 | C | H3 | 109.5° | 109.4° |
| H2 | C | H1 | 109.5° | 109.5° |
| H3 | C | H1 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.4° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | C2 | 123.9° | 120.0° |
| C | C1 | O | H | 118.7° | 120.0° |
| C | C1 | C2 | H | 116.9° | 119.9° |
| C | C1 | C2 | N | 88.1° | 175.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H3 | H1 | 120.0° | 120.0° |
| C | C1 | O | H4 | 180.0° | 60.1° |
| C | C1 | C2 | H5 | 152.1° | 65.1° |
| C | C1 | C2 | H6 | 31.7° | 55.0° |
| O | C1 | C2 | H | 118.7° | 120.0° |
| O | C1 | C2 | N | 36.2° | 65.0° |
| O | C1 | C | H2 | 180.0° | 60.1° |
| O | C1 | C | H3 | 60.0° | 180.0° |
| O | C1 | C | H1 | 60.0° | 60.0° |
| O | C1 | C2 | H5 | 83.5° | 54.9° |
| O | C1 | C2 | H6 | 156.0° | 175.0° |
| C1 | C2 | N | H5 | 119.8° | 120.0° |
| C1 | C2 | N | H6 | 119.7° | 120.0° |
| C1 | C2 | N | C3 | 97.9° | 180.0° |
| C1 | C2 | N | H13 | 22.9° | 56.0° |
| C2 | C1 | C | H2 | 56.5° | 60.0° |
| C2 | C1 | C | H3 | 176.5° | 59.9° |
| C2 | C1 | C | H1 | 63.5° | 180.0° |
| C2 | C1 | O | H4 | 56.1° | 59.9° |
| C1 | C2 | H5 | H6 | 120.7° | 120.1° |
| C2 | N | C3 | H13 | 120.8° | 124.0° |
| C2 | N | C3 | C4 | 172.4° | 180.0° |
| N | C2 | C1 | H | 155.0° | 55.0° |
| N | C2 | H5 | H6 | 120.8° | 119.9° |
| C2 | N | C3 | H8 | 52.2° | 60.0° |
| C2 | N | C3 | H9 | 67.4° | 60.0° |
| N | C3 | C4 | H8 | 120.1° | 119.9° |
| N | C3 | C4 | H9 | 120.2° | 120.0° |
| N | C3 | C4 | C5 | 170.9° | 90.1° |
| N | C3 | C4 | C9 | 10.5° | 89.8° |
| C3 | N | C2 | H5 | 142.3° | 60.0° |
| C3 | N | C2 | H6 | 21.8° | 60.0° |
| N | C3 | H8 | H9 | 119.5° | 120.0° |
| C3 | C4 | C5 | C9 | 178.7° | 179.8° |
| C3 | C4 | C5 | CL | 0.6° | 0.2° |
| C3 | C4 | C5 | C6 | 178.6° | 179.8° |
| C3 | C4 | C9 | C8 | 178.3° | 179.7° |
| C3 | C4 | C9 | CL1 | 1.9° | 0.2° |
| C4 | C3 | N | H13 | 66.8° | 56.0° |
| C4 | C3 | H8 | H9 | 119.6° | 120.1° |
| C4 | C5 | CL | C6 | 179.2° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C4 | C9 | C8 | 0.3° | 0.1° |
| C5 | C4 | C9 | CL1 | 179.5° | 180.0° |
| C4 | C5 | C6 | H10 | 179.8° | 180.0° |
| C5 | C4 | C3 | H8 | 68.9° | 150.0° |
| C5 | C4 | C3 | H9 | 50.8° | 30.0° |
| CL | C5 | C6 | C7 | 178.9° | 180.0° |
| CL | C5 | C4 | C9 | 179.2° | 180.0° |
| CL | C5 | C6 | H10 | 1.0° | 0.0° |
| C5 | C6 | C7 | H10 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C4 | C9 | 0.1° | 0.1° |
| C5 | C6 | C7 | H11 | 179.7° | 180.0° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C6 | C7 | C8 | H12 | 180.0° | 179.9° |
| C7 | C8 | C9 | H12 | 180.0° | 179.9° |
| C7 | C8 | C9 | C4 | 0.3° | 0.1° |
| C7 | C8 | C9 | CL1 | 179.6° | 180.0° |
| C8 | C7 | C6 | H10 | 179.7° | 179.9° |
| C8 | C9 | C4 | CL1 | 179.8° | 179.9° |
| C9 | C8 | C7 | H11 | 180.0° | 179.9° |
| C4 | C9 | C8 | H12 | 179.7° | 179.9° |
| C9 | C4 | C3 | H8 | 109.6° | 30.1° |
| C9 | C4 | C3 | H9 | 130.7° | 150.2° |
| CL1 | C9 | C8 | H12 | 0.4° | 0.0° |
| H10 | C6 | C7 | H11 | 0.3° | 0.0° |
| H11 | C7 | C8 | H12 | 0.1° | 0.0° |
| H13 | N | C2 | H5 | 96.8° | 64.0° |
| H13 | N | C2 | H6 | 142.7° | 176.1° |
| H13 | N | C3 | H8 | 173.1° | 64.0° |
| H13 | N | C3 | H9 | 53.4° | 176.1° |
| H2 | C | H3 | H1 | 120.0° | 120.0° |
| H2 | C | C1 | H | 60.2° | 180.0° |
| H3 | C | C1 | H | 59.8° | 60.0° |
| H1 | C | C1 | H | 179.8° | 60.0° |
| H4 | O | C1 | H | 61.3° | 180.0° |
| H | C1 | C2 | H5 | 35.2° | 175.0° |
| H | C1 | C2 | H6 | 85.2° | 64.9° |
