GNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C10 | sing | 1.74Å | 1.73Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C2 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 1.01Å | 1.00Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C10 | C11 | 120.3° | 120.1° |
| CL1 | C10 | C9 | 118.0° | 120.0° |
| C10 | C11 | C6 | 119.9° | 120.0° |
| C11 | C10 | C9 | 121.7° | 119.9° |
| C10 | C11 | H5 | 120.1° | 120.0° |
| C11 | C6 | C5 | 123.9° | 120.0° |
| C11 | C6 | C7 | 117.9° | 120.0° |
| C6 | C11 | H5 | 120.1° | 120.0° |
| C10 | C9 | C8 | 117.5° | 120.0° |
| C10 | C9 | H8 | 121.3° | 120.0° |
| C6 | C5 | N1 | 114.2° | 109.5° |
| C5 | C6 | C7 | 118.2° | 120.0° |
| C6 | C5 | H3 | 108.3° | 109.5° |
| C6 | C5 | H4 | 108.3° | 109.5° |
| C5 | N1 | C1 | 112.2° | 111.0° |
| C5 | N1 | C3 | 111.1° | 111.0° |
| N1 | C5 | H3 | 108.3° | 109.5° |
| N1 | C5 | H4 | 108.3° | 109.5° |
| C6 | C7 | C8 | 120.6° | 120.0° |
| C6 | C7 | H6 | 119.7° | 120.0° |
| C9 | C8 | C7 | 122.4° | 120.0° |
| C9 | C8 | H7 | 118.8° | 120.1° |
| C8 | C9 | H8 | 121.2° | 119.9° |
| C8 | C7 | H6 | 119.8° | 120.0° |
| C7 | C8 | H7 | 118.8° | 119.9° |
| N1 | C1 | C2 | 111.3° | 109.3° |
| C1 | N1 | C3 | 108.7° | 110.9° |
| N1 | C1 | H14 | 109.0° | 109.5° |
| N1 | C1 | H15 | 109.0° | 109.5° |
| C1 | C2 | N2 | 111.4° | 109.4° |
| C2 | C1 | H14 | 109.0° | 109.5° |
| C2 | C1 | H15 | 109.0° | 109.5° |
| C1 | C2 | H16 | 109.0° | 109.5° |
| C1 | C2 | H17 | 109.0° | 109.5° |
| N1 | C3 | C4 | 112.0° | 109.4° |
| N1 | C3 | H12 | 108.8° | 109.5° |
| N1 | C3 | H13 | 108.8° | 109.5° |
| C3 | C4 | N2 | 112.5° | 109.4° |
| C3 | C4 | H1 | 108.7° | 109.5° |
| C3 | C4 | H2 | 108.7° | 109.5° |
| C4 | C3 | H12 | 108.8° | 109.5° |
| C4 | C3 | H13 | 108.8° | 109.5° |
| C2 | N2 | C4 | 110.1° | 110.8° |
| C2 | N2 | H10 | 109.3° | 111.0° |
| N2 | C2 | H16 | 109.0° | 109.5° |
| N2 | C2 | H17 | 109.0° | 109.5° |
| N2 | C4 | H1 | 108.7° | 109.5° |
| N2 | C4 | H2 | 108.7° | 109.5° |
| C4 | N2 | H10 | 109.3° | 111.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.4° | 109.5° |
| H16 | C2 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C10 | C11 | C9 | 178.6° | 179.9° |
| CL1 | C10 | C11 | C6 | 178.6° | 180.0° |
| CL1 | C10 | C9 | C8 | 179.8° | 179.8° |
| CL1 | C10 | C11 | H5 | 1.4° | 0.0° |
| CL1 | C10 | C9 | H8 | 0.2° | 0.1° |
| C10 | C11 | C6 | H5 | 180.0° | 180.0° |
| C10 | C11 | C6 | C5 | 178.8° | 179.9° |
| C10 | C11 | C6 | C7 | 0.1° | 0.3° |
| C11 | C10 | C9 | C8 | 1.2° | 0.2° |
| C11 | C10 | C9 | H8 | 178.8° | 180.0° |
| C6 | C11 | C10 | C9 | 0.0° | 0.0° |
| C11 | C6 | C5 | C7 | 178.7° | 179.7° |
| C11 | C6 | C5 | N1 | 120.4° | 89.7° |
| C11 | C6 | C7 | C8 | 1.4° | 0.3° |
| C11 | C6 | C5 | H3 | 118.9° | 30.3° |
| C11 | C6 | C5 | H4 | 0.3° | 150.3° |
| C11 | C6 | C7 | H6 | 178.6° | 179.8° |
| C10 | C9 | C8 | H8 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 2.6° | 0.1° |
| C9 | C10 | C11 | H5 | 180.0° | 179.9° |
| C10 | C9 | C8 | H7 | 177.4° | 179.8° |
| C6 | C5 | N1 | H3 | 120.7° | 120.0° |
| C6 | C5 | N1 | H4 | 120.7° | 120.0° |
| C5 | C6 | C7 | C8 | 179.8° | 180.0° |
| C6 | C5 | N1 | C1 | 165.2° | 66.2° |
| C6 | C5 | N1 | C3 | 72.9° | 170.0° |
| C6 | C5 | H3 | H4 | 117.9° | 120.0° |
| C5 | C6 | C11 | H5 | 1.2° | 0.0° |
| C5 | C6 | C7 | H6 | 0.2° | 0.1° |
| N1 | C5 | C6 | C7 | 58.4° | 90.0° |
| C5 | N1 | C1 | C3 | 123.3° | 123.9° |
| C5 | N1 | C1 | C2 | 179.2° | 176.8° |
| C5 | N1 | C3 | C4 | 179.2° | 176.8° |
| N1 | C5 | H3 | H4 | 117.8° | 120.0° |
| C5 | N1 | C3 | H12 | 60.4° | 56.9° |
| C5 | N1 | C3 | H13 | 58.8° | 63.2° |
| C5 | N1 | C1 | H14 | 58.9° | 56.9° |
| C5 | N1 | C1 | H15 | 60.5° | 63.2° |
| C6 | C7 | C8 | C9 | 2.8° | 0.1° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | H3 | 62.4° | 150.0° |
| C7 | C6 | C5 | H4 | 179.0° | 30.1° |
| C7 | C6 | C11 | H5 | 179.9° | 179.7° |
| C6 | C7 | C8 | H7 | 177.3° | 180.0° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C9 | C8 | C7 | H6 | 177.2° | 180.0° |
| C7 | C8 | C9 | H8 | 177.4° | 180.0° |
| N1 | C1 | C2 | H14 | 120.3° | 120.0° |
| N1 | C1 | C2 | H15 | 120.3° | 120.0° |
| C1 | N1 | C3 | C4 | 56.8° | 59.3° |
| N1 | C1 | C2 | N2 | 57.7° | 58.4° |
| C1 | N1 | C5 | H3 | 44.5° | 53.8° |
| C1 | N1 | C5 | H4 | 74.1° | 173.8° |
| C1 | N1 | C3 | H12 | 63.6° | 179.3° |
| C1 | N1 | C3 | H13 | 177.2° | 60.6° |
| N1 | C1 | H14 | H15 | 119.2° | 120.1° |
| N1 | C1 | C2 | H16 | 62.6° | 178.4° |
| N1 | C1 | C2 | H17 | 178.0° | 61.6° |
| C2 | C1 | N1 | C3 | 57.5° | 59.3° |
| C1 | C2 | N2 | H16 | 120.3° | 119.9° |
| C1 | C2 | N2 | H17 | 120.3° | 120.0° |
| C1 | C2 | N2 | C4 | 54.2° | 59.3° |
| C1 | C2 | N2 | H10 | 174.2° | 176.8° |
| C2 | C1 | H14 | H15 | 119.1° | 120.1° |
| C1 | C2 | H16 | H17 | 119.1° | 120.1° |
| N1 | C3 | C4 | H12 | 120.4° | 120.0° |
| N1 | C3 | C4 | H13 | 120.4° | 120.0° |
| N1 | C3 | C4 | N2 | 56.1° | 58.4° |
| N1 | C3 | C4 | H1 | 176.5° | 61.5° |
| N1 | C3 | C4 | H2 | 64.4° | 178.4° |
| C3 | N1 | C5 | H3 | 166.4° | 70.0° |
| C3 | N1 | C5 | H4 | 47.8° | 50.0° |
| N1 | C3 | H12 | H13 | 118.8° | 120.1° |
| C3 | N1 | C1 | H14 | 177.8° | 179.3° |
| C3 | N1 | C1 | H15 | 62.8° | 60.6° |
| C3 | C4 | N2 | C2 | 53.7° | 59.3° |
| C3 | C4 | N2 | H1 | 120.5° | 120.0° |
| C3 | C4 | N2 | H2 | 120.5° | 119.9° |
| C3 | C4 | H1 | H2 | 118.6° | 120.0° |
| C3 | C4 | N2 | H10 | 173.8° | 176.8° |
| C4 | C3 | H12 | H13 | 118.8° | 120.0° |
| C2 | N2 | C4 | H10 | 120.1° | 123.8° |
| C2 | N2 | C4 | H1 | 174.1° | 60.7° |
| C2 | N2 | C4 | H2 | 66.8° | 179.3° |
| N2 | C2 | C1 | H14 | 178.0° | 178.4° |
| N2 | C2 | C1 | H15 | 62.6° | 61.5° |
| N2 | C2 | H16 | H17 | 119.1° | 120.1° |
| N2 | C4 | H1 | H2 | 118.6° | 120.0° |
| N2 | C4 | C3 | H12 | 64.3° | 178.4° |
| N2 | C4 | C3 | H13 | 176.5° | 61.5° |
| C4 | N2 | C2 | H16 | 66.1° | 179.3° |
| C4 | N2 | C2 | H17 | 174.5° | 60.7° |
| H1 | C4 | N2 | H10 | 65.8° | 63.2° |
| H1 | C4 | C3 | H12 | 56.2° | 58.4° |
| H1 | C4 | C3 | H13 | 63.1° | 178.5° |
| H2 | C4 | N2 | H10 | 53.3° | 56.9° |
| H2 | C4 | C3 | H12 | 175.2° | 61.6° |
| H2 | C4 | C3 | H13 | 56.0° | 58.4° |
| H6 | C7 | C8 | H7 | 2.8° | 0.0° |
| H7 | C8 | C9 | H8 | 2.6° | 0.0° |
| H10 | N2 | C2 | H16 | 53.9° | 56.9° |
| H10 | N2 | C2 | H17 | 65.4° | 63.2° |
| H14 | C1 | C2 | H16 | 57.7° | 61.7° |
| H14 | C1 | C2 | H17 | 61.7° | 58.4° |
| H15 | C1 | C2 | H16 | 177.1° | 58.4° |
| H15 | C1 | C2 | H17 | 57.7° | 178.5° |
