W6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | doub | 1.21Å | 1.16Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | N2 | sing | 1.35Å | 1.36Å | |
| C8 | C5 | sing | 1.51Å | 1.46Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| N2 | N1 | sing | 1.40Å | 1.30Å | |
| C5 | N1 | doub | 1.30Å | 1.23Å | |
| C5 | C4 | sing | 1.47Å | 1.46Å | |
| O1 | C4 | doub | 1.22Å | 1.18Å | |
| C4 | N | sing | 1.35Å | 1.36Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | O | sing | 1.43Å | 1.38Å | |
| O | C3 | sing | 1.43Å | 1.41Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | 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 | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | C7 | 124.8° | 120.1° |
| O2 | C6 | N2 | 117.2° | 120.1° |
| C6 | C7 | C8 | 111.4° | 109.2° |
| C7 | C6 | N2 | 118.1° | 119.8° |
| C6 | C7 | H1 | 109.0° | 109.5° |
| C6 | C7 | H2 | 109.0° | 109.5° |
| C7 | C8 | C5 | 109.1° | 109.6° |
| C8 | C7 | H1 | 109.0° | 109.5° |
| C8 | C7 | H2 | 109.0° | 109.5° |
| C7 | C8 | H3 | 109.5° | 109.4° |
| C7 | C8 | H4 | 109.6° | 109.5° |
| C6 | N2 | C9 | 120.2° | 119.8° |
| C6 | N2 | N1 | 123.7° | 120.4° |
| C8 | C5 | N1 | 126.6° | 120.9° |
| C8 | C5 | C4 | 119.7° | 119.5° |
| C5 | C8 | H3 | 109.5° | 109.4° |
| C5 | C8 | H4 | 109.5° | 109.4° |
| C9 | N2 | N1 | 116.1° | 119.8° |
| N2 | C9 | H5 | 109.5° | 109.5° |
| N2 | C9 | H6 | 109.4° | 109.4° |
| N2 | C9 | H7 | 109.4° | 109.5° |
| N2 | N1 | C5 | 119.7° | 121.1° |
| N1 | C5 | C4 | 113.4° | 119.5° |
| C5 | C4 | O1 | 120.1° | 120.0° |
| C5 | C4 | N | 114.9° | 120.0° |
| O1 | C4 | N | 125.0° | 120.0° |
| C4 | N | C1 | 122.4° | 120.0° |
| C4 | N | H14 | 118.8° | 120.0° |
| N | C1 | C | 107.4° | 109.5° |
| N | C1 | C2 | 112.6° | 109.5° |
| N | C1 | H8 | 110.2° | 109.4° |
| C1 | N | H14 | 118.8° | 120.0° |
| C | C1 | C2 | 108.1° | 109.5° |
| C | C1 | H8 | 109.4° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.4° | 109.5° |
| C1 | C2 | O | 105.1° | 109.4° |
| C2 | C1 | H8 | 109.0° | 109.4° |
| C1 | C2 | H12 | 110.6° | 109.5° |
| C1 | C2 | H13 | 110.6° | 109.5° |
| C2 | O | C3 | 113.2° | 114.0° |
| O | C2 | H12 | 110.6° | 109.5° |
| O | C2 | H13 | 110.6° | 109.5° |
| O | C3 | H9 | 109.5° | 109.5° |
| O | C3 | H10 | 109.5° | 109.5° |
| O | C3 | H11 | 109.5° | 109.4° |
| H1 | C7 | H2 | 109.5° | 109.6° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.4° | 109.5° |
| H5 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.4° | 109.5° |
| H9 | C3 | H11 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.4° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H15 | C | H16 | 109.4° | 109.5° |
| H15 | C | H17 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | C7 | N2 | 179.0° | 180.0° |
| O2 | C6 | C7 | C8 | 154.5° | 146.8° |
| O2 | C6 | N2 | C9 | 1.7° | 0.3° |
| O2 | C6 | N2 | N1 | 179.9° | 179.7° |
| O2 | C6 | C7 | H1 | 34.2° | 26.9° |
| O2 | C6 | C7 | H2 | 85.2° | 93.3° |
| C6 | C7 | C8 | H1 | 120.3° | 119.9° |
| C6 | C7 | C8 | H2 | 120.3° | 119.9° |
| C6 | C7 | C8 | C5 | 36.3° | 47.5° |
| C7 | C6 | N2 | C9 | 179.2° | 179.7° |
| C7 | C6 | N2 | N1 | 1.0° | 0.3° |
| C6 | C7 | H1 | H2 | 119.1° | 120.2° |
| C6 | C7 | C8 | H3 | 83.6° | 167.5° |
| C6 | C7 | C8 | H4 | 156.3° | 72.6° |
| C8 | C7 | C6 | N2 | 24.5° | 33.3° |
| C7 | C8 | C5 | H3 | 119.9° | 120.0° |
| C7 | C8 | C5 | H4 | 120.0° | 120.1° |
| C7 | C8 | C5 | N1 | 30.5° | 34.2° |
| C7 | C8 | C5 | C4 | 143.6° | 145.9° |
| C8 | C7 | H1 | H2 | 119.1° | 120.2° |
| C7 | C8 | H3 | H4 | 120.2° | 120.0° |
| C6 | N2 | C9 | N1 | 178.3° | 180.0° |
| C6 | N2 | N1 | C5 | 12.4° | 19.1° |
| N2 | C6 | C7 | H1 | 144.8° | 153.2° |
| N2 | C6 | C7 | H2 | 95.8° | 86.6° |
| C6 | N2 | C9 | H5 | 178.3° | 180.0° |
| C6 | N2 | C9 | H6 | 58.3° | 60.0° |
| C6 | N2 | C9 | H7 | 61.7° | 60.0° |
| C8 | C5 | N1 | N2 | 5.4° | 0.2° |
| C8 | C5 | N1 | C4 | 174.4° | 179.9° |
| C8 | C5 | C4 | O1 | 50.1° | 0.1° |
| C8 | C5 | C4 | N | 131.8° | 180.0° |
| C5 | C8 | C7 | H1 | 156.6° | 167.4° |
| C5 | C8 | C7 | H2 | 83.9° | 72.4° |
| C5 | C8 | H3 | H4 | 120.1° | 119.9° |
| C9 | N2 | N1 | C5 | 169.3° | 160.9° |
| N2 | C9 | H5 | H6 | 120.0° | 119.9° |
| N2 | C9 | H5 | H7 | 120.0° | 120.0° |
| N2 | C9 | H6 | H7 | 120.0° | 120.0° |
| N2 | N1 | C5 | C4 | 169.0° | 179.9° |
| N1 | N2 | C9 | H5 | 0.0° | 0.0° |
| N1 | N2 | C9 | H6 | 120.0° | 120.0° |
| N1 | N2 | C9 | H7 | 120.0° | 120.0° |
| N1 | C5 | C4 | O1 | 124.7° | 180.0° |
| N1 | C5 | C4 | N | 53.3° | 0.1° |
| N1 | C5 | C8 | H3 | 89.4° | 154.2° |
| N1 | C5 | C8 | H4 | 150.5° | 85.8° |
| C5 | C4 | O1 | N | 177.8° | 180.0° |
| C5 | C4 | N | C1 | 179.7° | 180.0° |
| C4 | C5 | C8 | H3 | 96.5° | 25.9° |
| C4 | C5 | C8 | H4 | 23.6° | 94.1° |
| C5 | C4 | N | H14 | 0.3° | 0.0° |
| O1 | C4 | N | C1 | 2.4° | 0.0° |
| O1 | C4 | N | H14 | 177.6° | 180.0° |
| C4 | N | C1 | H14 | 180.0° | 180.0° |
| C4 | N | C1 | C | 82.2° | 85.0° |
| C4 | N | C1 | C2 | 36.7° | 155.0° |
| C4 | N | C1 | H8 | 158.7° | 35.1° |
| N | C1 | C | C2 | 121.8° | 120.0° |
| N | C1 | C | H8 | 119.6° | 120.0° |
| N | C1 | C2 | H8 | 122.6° | 119.9° |
| N | C1 | C2 | O | 109.3° | 65.0° |
| N | C1 | C2 | H12 | 131.4° | 55.0° |
| N | C1 | C2 | H13 | 10.0° | 175.0° |
| N | C1 | C | H15 | 180.0° | 60.0° |
| N | C1 | C | H16 | 60.0° | 180.0° |
| N | C1 | C | H17 | 60.0° | 60.0° |
| C | C1 | C2 | H8 | 118.8° | 120.0° |
| C | C1 | C2 | O | 132.1° | 55.0° |
| C | C1 | C2 | H12 | 12.8° | 175.0° |
| C | C1 | C2 | H13 | 108.6° | 65.0° |
| C | C1 | N | H14 | 97.8° | 95.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H17 | 119.9° | 120.0° |
| C1 | C2 | O | H12 | 119.3° | 120.0° |
| C1 | C2 | O | H13 | 119.3° | 120.0° |
| C1 | C2 | O | C3 | 51.4° | 180.0° |
| C1 | C2 | H12 | H13 | 122.0° | 120.1° |
| C2 | C1 | N | H14 | 143.2° | 25.0° |
| C2 | C1 | C | H15 | 58.2° | 60.0° |
| C2 | C1 | C | H16 | 178.2° | 60.0° |
| C2 | C1 | C | H17 | 61.8° | 180.0° |
| O | C2 | C1 | H8 | 13.3° | 175.1° |
| C2 | O | C3 | H9 | 180.0° | 60.0° |
| C2 | O | C3 | H10 | 60.0° | 60.0° |
| C2 | O | C3 | H11 | 60.0° | 180.0° |
| O | C2 | H12 | H13 | 122.0° | 120.0° |
| O | C3 | H9 | H10 | 120.0° | 120.0° |
| O | C3 | H9 | H11 | 120.0° | 120.0° |
| O | C3 | H10 | H11 | 120.0° | 119.9° |
| C3 | O | C2 | H12 | 67.9° | 60.0° |
| C3 | O | C2 | H13 | 170.7° | 60.0° |
| H1 | C7 | C8 | H3 | 36.7° | 72.7° |
| H1 | C7 | C8 | H4 | 83.4° | 47.3° |
| H2 | C7 | C8 | H3 | 156.1° | 47.6° |
| H2 | C7 | C8 | H4 | 36.0° | 167.5° |
| H5 | C9 | H6 | H7 | 120.0° | 120.1° |
| H8 | C1 | C2 | H12 | 106.0° | 65.0° |
| H8 | C1 | C2 | H13 | 132.6° | 55.1° |
| H8 | C1 | N | H14 | 21.3° | 144.9° |
| H8 | C1 | C | H15 | 60.4° | 180.0° |
| H8 | C1 | C | H16 | 59.6° | 60.0° |
| H8 | C1 | C | H17 | 179.6° | 60.0° |
| H9 | C3 | H10 | H11 | 120.0° | 120.0° |
| H15 | C | H16 | H17 | 120.0° | 120.0° |
