W0C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | N | sing | 1.47Å | 1.45Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| N | C5 | sing | 1.35Å | 1.37Å | |
| C5 | N1 | sing | 1.35Å | 1.41Å | |
| C5 | O | doub | 1.22Å | 1.23Å | |
| N1 | C6 | sing | 1.40Å | 1.40Å | |
| C10 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | C9 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 111.3° | 109.4° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C4 | H9 | 109.5° | 109.5° |
| C4 | C3 | H10 | 109.0° | 109.4° |
| C4 | C3 | H11 | 109.0° | 109.5° |
| C3 | C2 | C1 | 112.6° | 109.5° |
| C3 | C2 | N | 109.1° | 109.5° |
| C2 | C3 | H10 | 109.0° | 109.5° |
| C2 | C3 | H11 | 109.0° | 109.5° |
| C3 | C2 | H12 | 108.7° | 109.5° |
| C1 | C2 | N | 107.8° | 109.4° |
| C2 | C1 | C | 109.0° | 109.5° |
| C2 | C1 | H5 | 109.6° | 109.5° |
| C2 | C1 | H6 | 109.6° | 109.4° |
| C1 | C2 | H12 | 108.7° | 109.5° |
| C2 | N | C5 | 120.2° | 120.0° |
| N | C2 | H12 | 110.0° | 109.4° |
| C2 | N | H13 | 119.9° | 120.0° |
| C | C1 | H5 | 109.6° | 109.5° |
| C | C1 | H6 | 109.6° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| N | C5 | N1 | 114.1° | 120.0° |
| N | C5 | O | 122.0° | 119.9° |
| C5 | N | H13 | 119.9° | 120.0° |
| N1 | C5 | O | 123.9° | 120.0° |
| C5 | N1 | C6 | 125.0° | 120.0° |
| C5 | N1 | H1 | 117.5° | 120.0° |
| N1 | C6 | C10 | 118.4° | 120.5° |
| N1 | C6 | C7 | 123.0° | 120.5° |
| C6 | N1 | H1 | 117.5° | 120.0° |
| C6 | C10 | N2 | 123.7° | 120.7° |
| C10 | C6 | C7 | 118.6° | 119.0° |
| C6 | C10 | H17 | 118.1° | 119.7° |
| C10 | N2 | C9 | 117.1° | 121.8° |
| N2 | C10 | H17 | 118.2° | 119.6° |
| C6 | C7 | C8 | 118.2° | 118.4° |
| C6 | C7 | H2 | 120.9° | 120.8° |
| N2 | C9 | C8 | 122.5° | 120.9° |
| N2 | C9 | H4 | 118.8° | 119.5° |
| C7 | C8 | C9 | 119.9° | 119.3° |
| C8 | C7 | H2 | 120.9° | 120.8° |
| C7 | C8 | H3 | 120.0° | 120.4° |
| C9 | C8 | H3 | 120.1° | 120.3° |
| C8 | C9 | H4 | 118.7° | 119.6° |
| H5 | C1 | H6 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.4° | 109.4° |
| H7 | C4 | H9 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H14 | C | H15 | 109.4° | 109.4° |
| H14 | C | H16 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H10 | 120.3° | 119.9° |
| C4 | C3 | C2 | H11 | 120.3° | 120.0° |
| C4 | C3 | C2 | C1 | 80.7° | 175.0° |
| C4 | C3 | C2 | N | 39.0° | 65.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H9 | 120.0° | 120.0° |
| C3 | C4 | H8 | H9 | 120.0° | 120.1° |
| C4 | C3 | H10 | H11 | 119.2° | 120.0° |
| C4 | C3 | C2 | H12 | 158.8° | 55.0° |
| C3 | C2 | C1 | N | 120.4° | 120.0° |
| C3 | C2 | C1 | H12 | 120.5° | 120.0° |
| C3 | C2 | N | H12 | 119.1° | 120.0° |
| C3 | C2 | C1 | C | 170.4° | 175.0° |
| C3 | C2 | N | C5 | 102.8° | 85.0° |
| C3 | C2 | C1 | H5 | 50.5° | 64.9° |
| C3 | C2 | C1 | H6 | 69.7° | 55.0° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | H8 | 60.0° | 60.0° |
| C2 | C3 | C4 | H9 | 60.0° | 60.0° |
| C2 | C3 | H10 | H11 | 119.2° | 120.0° |
| C3 | C2 | N | H13 | 77.2° | 95.0° |
| C1 | C2 | N | H12 | 118.3° | 120.0° |
| C2 | C1 | C | H5 | 119.9° | 120.1° |
| C2 | C1 | C | H6 | 119.9° | 120.0° |
| C1 | C2 | N | C5 | 134.6° | 155.0° |
| C2 | C1 | H5 | H6 | 120.2° | 119.9° |
| C1 | C2 | C3 | H10 | 159.0° | 65.0° |
| C1 | C2 | C3 | H11 | 39.6° | 55.0° |
| C1 | C2 | N | H13 | 45.4° | 25.0° |
| C2 | C1 | C | H14 | 180.0° | 59.9° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C2 | C1 | C | H16 | 60.0° | 180.0° |
| N | C2 | C1 | C | 69.2° | 65.0° |
| C2 | N | C5 | H13 | 180.0° | 180.0° |
| C2 | N | C5 | N1 | 180.0° | 180.0° |
| C2 | N | C5 | O | 0.4° | 0.0° |
| N | C2 | C1 | H5 | 170.8° | 55.1° |
| N | C2 | C1 | H6 | 50.7° | 175.0° |
| N | C2 | C3 | H10 | 81.3° | 55.0° |
| N | C2 | C3 | H11 | 159.2° | 175.0° |
| C | C1 | H5 | H6 | 120.2° | 120.0° |
| C | C1 | C2 | H12 | 49.9° | 55.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H16 | 120.0° | 120.1° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| N | C5 | N1 | O | 179.7° | 180.0° |
| N | C5 | N1 | C6 | 179.5° | 175.3° |
| N | C5 | N1 | H1 | 0.5° | 4.4° |
| C5 | N | C2 | H12 | 16.3° | 35.0° |
| C5 | N1 | C6 | H1 | 180.0° | 179.7° |
| C5 | N1 | C6 | C10 | 173.0° | 145.0° |
| C5 | N1 | C6 | C7 | 6.6° | 35.0° |
| N1 | C5 | N | H13 | 0.1° | 0.0° |
| O | C5 | N1 | C6 | 0.9° | 4.7° |
| O | C5 | N1 | H1 | 179.1° | 175.6° |
| O | C5 | N | H13 | 179.6° | 180.0° |
| N1 | C6 | C10 | C7 | 179.6° | 180.0° |
| N1 | C6 | C10 | N2 | 179.7° | 179.5° |
| N1 | C6 | C7 | C8 | 179.9° | 180.0° |
| N1 | C6 | C7 | H2 | 0.1° | 0.3° |
| N1 | C6 | C10 | H17 | 0.3° | 0.0° |
| C6 | C10 | N2 | H17 | 180.0° | 179.5° |
| C6 | C10 | N2 | C9 | 0.2° | 0.8° |
| C10 | C6 | C7 | C8 | 0.4° | 0.0° |
| C10 | C6 | N1 | H1 | 7.0° | 34.7° |
| C10 | C6 | C7 | H2 | 179.7° | 179.8° |
| N2 | C10 | C6 | C7 | 0.1° | 0.5° |
| C10 | N2 | C9 | C8 | 0.2° | 0.6° |
| C10 | N2 | C9 | H4 | 179.8° | 179.5° |
| C6 | C7 | C8 | H2 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 0.3° | 0.2° |
| C7 | C6 | N1 | H1 | 173.4° | 145.3° |
| C6 | C7 | C8 | H3 | 179.7° | 179.7° |
| C7 | C6 | C10 | H17 | 179.9° | 180.0° |
| N2 | C9 | C8 | C7 | 0.0° | 0.1° |
| N2 | C9 | C8 | H4 | 180.0° | 180.0° |
| N2 | C9 | C8 | H3 | 180.0° | 180.0° |
| C9 | N2 | C10 | H17 | 179.8° | 179.7° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | H2 | 179.7° | 180.0° |
| H2 | C7 | C8 | H3 | 0.3° | 0.0° |
| H3 | C8 | C9 | H4 | 0.0° | 0.0° |
| H5 | C1 | C2 | H12 | 70.0° | 175.0° |
| H5 | C1 | C | H14 | 60.1° | 180.0° |
| H5 | C1 | C | H15 | 179.9° | 60.1° |
| H5 | C1 | C | H16 | 60.0° | 59.9° |
| H6 | C1 | C2 | H12 | 169.8° | 65.1° |
| H6 | C1 | C | H14 | 60.1° | 60.0° |
| H6 | C1 | C | H15 | 59.9° | 180.0° |
| H6 | C1 | C | H16 | 179.9° | 60.0° |
| H7 | C4 | H8 | H9 | 120.0° | 119.9° |
| H7 | C4 | C3 | H10 | 59.7° | 60.0° |
| H7 | C4 | C3 | H11 | 59.7° | 60.0° |
| H8 | C4 | C3 | H10 | 60.2° | 59.9° |
| H8 | C4 | C3 | H11 | 179.7° | 180.0° |
| H9 | C4 | C3 | H10 | 179.7° | 180.0° |
| H9 | C4 | C3 | H11 | 60.3° | 60.0° |
| H10 | C3 | C2 | H12 | 38.5° | 175.0° |
| H11 | C3 | C2 | H12 | 80.9° | 65.0° |
| H12 | C2 | N | H13 | 163.7° | 145.0° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
