GNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C14 | sing | 1.74Å | 1.79Å | |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | N1 | sing | 1.49Å | 1.48Å | |
| C1 | C7 | sing | 1.54Å | 1.56Å | |
| C10 | C9 | sing | 1.51Å | 1.48Å | |
| C10 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.52Å | 1.50Å | |
| N1 | C5 | sing | 1.49Å | 1.48Å | |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C3 | O2 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.52Å | 1.51Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| 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 | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 119.3° | 120.0° |
| C15 | C16 | C10 | 120.4° | 120.0° |
| C16 | C15 | H9 | 120.3° | 120.0° |
| C15 | C16 | H10 | 119.8° | 120.0° |
| C15 | C14 | CL1 | 123.1° | 120.0° |
| C15 | C14 | C13 | 119.8° | 120.0° |
| C14 | C15 | H9 | 120.3° | 120.1° |
| C16 | C10 | C9 | 124.2° | 120.0° |
| C16 | C10 | C12 | 119.2° | 120.0° |
| C10 | C16 | H10 | 119.8° | 120.0° |
| CL1 | C14 | C13 | 117.1° | 120.0° |
| C14 | C13 | C12 | 120.9° | 120.0° |
| C14 | C13 | H7 | 119.6° | 120.0° |
| N1 | C8 | C9 | 107.7° | 109.5° |
| C8 | N1 | C1 | 112.9° | 111.0° |
| C8 | N1 | C5 | 118.5° | 111.0° |
| N1 | C8 | H3 | 109.9° | 109.5° |
| N1 | C8 | H4 | 109.9° | 109.5° |
| C8 | C9 | C10 | 108.4° | 109.5° |
| C9 | C8 | H3 | 109.9° | 109.4° |
| C9 | C8 | H4 | 109.9° | 109.5° |
| C8 | C9 | H5 | 109.7° | 109.5° |
| C8 | C9 | H6 | 109.7° | 109.5° |
| C2 | C1 | N1 | 112.4° | 107.4° |
| C2 | C1 | C7 | 112.8° | 107.9° |
| C1 | C2 | C3 | 103.0° | 107.8° |
| C1 | C2 | H15 | 111.1° | 109.8° |
| C1 | C2 | H16 | 111.0° | 109.8° |
| C2 | C1 | H19 | 109.7° | 111.9° |
| N1 | C1 | C7 | 101.6° | 104.5° |
| C1 | N1 | C5 | 99.9° | 104.2° |
| N1 | C1 | H19 | 110.6° | 112.1° |
| C1 | C7 | C6 | 105.1° | 105.1° |
| C1 | C7 | H1 | 110.6° | 110.3° |
| C1 | C7 | H2 | 110.6° | 110.4° |
| C7 | C1 | H19 | 109.5° | 112.5° |
| C9 | C10 | C12 | 116.6° | 120.0° |
| C10 | C9 | H5 | 109.8° | 109.5° |
| C10 | C9 | H6 | 109.7° | 109.5° |
| C10 | C12 | C13 | 120.4° | 120.0° |
| C10 | C12 | H8 | 119.8° | 120.0° |
| C2 | C3 | O2 | 122.8° | 121.0° |
| C2 | C3 | C4 | 113.3° | 118.0° |
| C3 | C2 | H15 | 111.1° | 109.8° |
| C3 | C2 | H16 | 111.1° | 109.8° |
| N1 | C5 | C6 | 102.3° | 104.5° |
| N1 | C5 | C4 | 114.0° | 107.4° |
| N1 | C5 | H12 | 111.4° | 112.0° |
| C12 | C13 | H7 | 119.6° | 120.0° |
| C13 | C12 | H8 | 119.8° | 120.0° |
| C7 | C6 | C5 | 102.5° | 105.0° |
| C6 | C7 | H1 | 110.6° | 110.3° |
| C6 | C7 | H2 | 110.6° | 110.3° |
| C7 | C6 | H17 | 111.2° | 110.3° |
| C7 | C6 | H18 | 111.2° | 110.3° |
| O2 | C3 | C4 | 123.7° | 121.0° |
| C3 | C4 | C5 | 109.9° | 107.8° |
| C3 | C4 | H13 | 109.4° | 109.8° |
| C3 | C4 | H14 | 109.4° | 109.9° |
| C6 | C5 | C4 | 107.4° | 108.0° |
| C6 | C5 | H12 | 110.8° | 112.1° |
| C5 | C6 | H17 | 111.2° | 110.3° |
| C5 | C6 | H18 | 111.2° | 110.3° |
| C4 | C5 | H12 | 110.5° | 112.4° |
| C5 | C4 | H13 | 109.3° | 109.8° |
| C5 | C4 | H14 | 109.3° | 109.8° |
| H1 | C7 | H2 | 109.5° | 110.3° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H13 | C4 | H14 | 109.5° | 109.8° |
| H15 | C2 | H16 | 109.5° | 109.8° |
| H17 | C6 | H18 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C15 | C16 | C10 | H10 | 180.0° | 179.9° |
| C16 | C15 | C14 | CL1 | 179.1° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.3° |
| C15 | C16 | C10 | C9 | 176.9° | 180.0° |
| C15 | C16 | C10 | C12 | 0.0° | 0.3° |
| C14 | C15 | C16 | C10 | 0.3° | 0.0° |
| C15 | C14 | CL1 | C13 | 179.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.5° | 0.3° |
| C15 | C14 | C13 | H7 | 179.5° | 179.8° |
| C14 | C15 | C16 | H10 | 179.7° | 179.9° |
| C16 | C10 | C9 | C8 | 45.9° | 90.0° |
| C16 | C10 | C9 | C12 | 177.0° | 179.8° |
| C16 | C10 | C12 | C13 | 0.6° | 0.2° |
| C16 | C10 | C9 | H5 | 165.7° | 30.0° |
| C16 | C10 | C9 | H6 | 73.9° | 150.0° |
| C16 | C10 | C12 | H8 | 179.4° | 179.8° |
| C10 | C16 | C15 | H9 | 179.6° | 180.0° |
| CL1 | C14 | C13 | C12 | 178.5° | 179.9° |
| CL1 | C14 | C13 | H7 | 1.5° | 0.0° |
| CL1 | C14 | C15 | H9 | 0.9° | 0.1° |
| C14 | C13 | C12 | C10 | 0.8° | 0.1° |
| C14 | C13 | C12 | H7 | 180.0° | 179.9° |
| C14 | C13 | C12 | H8 | 179.2° | 180.0° |
| C13 | C14 | C15 | H9 | 179.9° | 179.7° |
| N1 | C8 | C9 | H3 | 119.7° | 120.0° |
| N1 | C8 | C9 | H4 | 119.7° | 120.1° |
| C8 | N1 | C1 | C2 | 53.6° | 44.8° |
| C8 | N1 | C1 | C5 | 126.8° | 119.5° |
| C8 | N1 | C1 | C7 | 174.4° | 159.2° |
| N1 | C8 | C9 | C10 | 179.5° | 180.0° |
| C8 | N1 | C5 | C6 | 176.3° | 159.3° |
| C8 | N1 | C5 | C4 | 60.7° | 44.7° |
| N1 | C8 | H3 | H4 | 120.8° | 120.0° |
| N1 | C8 | C9 | H5 | 59.6° | 60.0° |
| N1 | C8 | C9 | H6 | 60.7° | 60.0° |
| C8 | N1 | C5 | H12 | 65.2° | 79.2° |
| C8 | N1 | C1 | H19 | 69.5° | 78.6° |
| C9 | C8 | N1 | C1 | 177.7° | 177.6° |
| C8 | C9 | C10 | H5 | 119.8° | 120.0° |
| C8 | C9 | C10 | H6 | 119.8° | 120.0° |
| C8 | C9 | C10 | C12 | 137.1° | 90.2° |
| C9 | C8 | N1 | C5 | 61.5° | 67.0° |
| C9 | C8 | H3 | H4 | 120.8° | 120.0° |
| C8 | C9 | H5 | H6 | 120.5° | 120.0° |
| C2 | C1 | N1 | C7 | 120.8° | 114.5° |
| C2 | C1 | N1 | H19 | 123.0° | 123.4° |
| C2 | C1 | C7 | H19 | 122.5° | 124.0° |
| C1 | C2 | C3 | H15 | 118.9° | 119.6° |
| C1 | C2 | C3 | H16 | 118.9° | 119.6° |
| C2 | C1 | N1 | C5 | 73.2° | 74.8° |
| C2 | C1 | C7 | C6 | 95.7° | 90.2° |
| C1 | C2 | C3 | O2 | 120.4° | 134.4° |
| C1 | C2 | C3 | C4 | 55.0° | 45.5° |
| C2 | C1 | C7 | H1 | 23.7° | 151.0° |
| C2 | C1 | C7 | H2 | 145.1° | 28.8° |
| C1 | C2 | H15 | H16 | 123.0° | 120.9° |
| N1 | C1 | C7 | H19 | 116.9° | 121.9° |
| N1 | C1 | C2 | C3 | 71.1° | 58.1° |
| N1 | C1 | C7 | C6 | 24.9° | 24.0° |
| C1 | N1 | C5 | C6 | 53.3° | 39.8° |
| C1 | N1 | C5 | C4 | 62.3° | 74.8° |
| N1 | C1 | C7 | H1 | 144.3° | 94.9° |
| N1 | C1 | C7 | H2 | 94.3° | 142.9° |
| C1 | N1 | C8 | H3 | 62.6° | 62.4° |
| C1 | N1 | C8 | H4 | 58.0° | 57.6° |
| C1 | N1 | C5 | H12 | 171.8° | 161.3° |
| N1 | C1 | C2 | H15 | 47.9° | 177.7° |
| N1 | C1 | C2 | H16 | 170.0° | 61.4° |
| C7 | C1 | C2 | C3 | 43.1° | 54.1° |
| C7 | C1 | N1 | C5 | 47.6° | 39.7° |
| C1 | C7 | C6 | H1 | 119.3° | 118.9° |
| C1 | C7 | C6 | H2 | 119.3° | 119.0° |
| C1 | C7 | C6 | C5 | 6.8° | 0.0° |
| C1 | C7 | H1 | H2 | 122.0° | 122.3° |
| C7 | C1 | C2 | H15 | 162.1° | 65.5° |
| C7 | C1 | C2 | H16 | 75.8° | 173.6° |
| C1 | C7 | C6 | H17 | 125.7° | 118.9° |
| C1 | C7 | C6 | H18 | 112.0° | 118.8° |
| C9 | C10 | C12 | C13 | 177.7° | 180.0° |
| C10 | C9 | C8 | H3 | 60.8° | 60.0° |
| C10 | C9 | C8 | H4 | 59.8° | 60.0° |
| C10 | C9 | H5 | H6 | 120.5° | 120.0° |
| C9 | C10 | C12 | H8 | 2.3° | 0.0° |
| C9 | C10 | C16 | H10 | 3.0° | 0.1° |
| C10 | C12 | C13 | H8 | 180.0° | 180.0° |
| C12 | C10 | C9 | H5 | 17.2° | 149.8° |
| C12 | C10 | C9 | H6 | 103.1° | 29.8° |
| C10 | C12 | C13 | H7 | 179.2° | 180.0° |
| C12 | C10 | C16 | H10 | 180.0° | 179.7° |
| C2 | C3 | O2 | C4 | 174.9° | 179.9° |
| C2 | C3 | C4 | C5 | 49.1° | 45.5° |
| C2 | C3 | C4 | H13 | 70.9° | 165.1° |
| C2 | C3 | C4 | H14 | 169.2° | 74.1° |
| C3 | C2 | H15 | H16 | 123.1° | 120.8° |
| C3 | C2 | C1 | H19 | 165.4° | 178.4° |
| N1 | C5 | C6 | C7 | 36.5° | 24.0° |
| N1 | C5 | C4 | C3 | 53.7° | 58.2° |
| N1 | C5 | C6 | C4 | 120.3° | 114.1° |
| N1 | C5 | C6 | H12 | 118.9° | 121.5° |
| N1 | C5 | C4 | H12 | 126.4° | 123.7° |
| C5 | N1 | C8 | H3 | 178.8° | 52.9° |
| C5 | N1 | C8 | H4 | 58.2° | 172.9° |
| N1 | C5 | C4 | H13 | 66.3° | 177.7° |
| N1 | C5 | C4 | H14 | 173.8° | 61.5° |
| N1 | C5 | C6 | H17 | 155.4° | 142.9° |
| N1 | C5 | C6 | H18 | 82.3° | 94.9° |
| C5 | N1 | C1 | H19 | 163.7° | 161.8° |
| C7 | C6 | C5 | H17 | 118.9° | 118.8° |
| C7 | C6 | C5 | H18 | 118.9° | 118.9° |
| C7 | C6 | C5 | C4 | 83.8° | 90.1° |
| C6 | C7 | H1 | H2 | 122.0° | 122.1° |
| C7 | C6 | C5 | H12 | 155.4° | 145.6° |
| C7 | C6 | H17 | H18 | 123.2° | 122.3° |
| C6 | C7 | C1 | H19 | 141.9° | 145.9° |
| O2 | C3 | C4 | C5 | 126.2° | 134.4° |
| O2 | C3 | C4 | H13 | 113.7° | 14.9° |
| O2 | C3 | C4 | H14 | 6.2° | 106.0° |
| O2 | C3 | C2 | H15 | 120.6° | 14.8° |
| O2 | C3 | C2 | H16 | 1.5° | 106.0° |
| C3 | C4 | C5 | C6 | 58.8° | 54.0° |
| C3 | C4 | C5 | H13 | 120.1° | 119.5° |
| C3 | C4 | C5 | H14 | 120.1° | 119.6° |
| C3 | C4 | C5 | H12 | 179.8° | 178.2° |
| C3 | C4 | H13 | H14 | 119.8° | 120.9° |
| C4 | C3 | C2 | H15 | 63.9° | 165.1° |
| C4 | C3 | C2 | H16 | 173.9° | 74.1° |
| C6 | C5 | C4 | H12 | 121.0° | 124.1° |
| C5 | C6 | C7 | H1 | 112.5° | 118.9° |
| C5 | C6 | C7 | H2 | 126.1° | 119.0° |
| C6 | C5 | C4 | H13 | 178.9° | 65.5° |
| C6 | C5 | C4 | H14 | 61.2° | 173.7° |
| C5 | C6 | H17 | H18 | 123.2° | 122.2° |
| C5 | C4 | H13 | H14 | 119.8° | 120.9° |
| C4 | C5 | C6 | H17 | 35.1° | 28.7° |
| C4 | C5 | C6 | H18 | 157.4° | 151.0° |
| H1 | C7 | C6 | H17 | 6.4° | 122.2° |
| H1 | C7 | C6 | H18 | 128.7° | 0.1° |
| H1 | C7 | C1 | H19 | 98.8° | 27.0° |
| H2 | C7 | C6 | H17 | 115.0° | 0.2° |
| H2 | C7 | C6 | H18 | 7.3° | 122.2° |
| H2 | C7 | C1 | H19 | 22.6° | 95.2° |
| H3 | C8 | C9 | H5 | 179.4° | 60.0° |
| H3 | C8 | C9 | H6 | 59.0° | 180.0° |
| H4 | C8 | C9 | H5 | 60.1° | 180.0° |
| H4 | C8 | C9 | H6 | 179.6° | 60.1° |
| H7 | C13 | C12 | H8 | 0.8° | 0.1° |
| H9 | C15 | C16 | H10 | 0.3° | 0.0° |
| H12 | C5 | C4 | H13 | 60.1° | 58.6° |
| H12 | C5 | C4 | H14 | 59.8° | 62.2° |
| H12 | C5 | C6 | H17 | 85.7° | 95.6° |
| H12 | C5 | C6 | H18 | 36.5° | 26.7° |
| H15 | C2 | C1 | H19 | 75.6° | 58.8° |
| H16 | C2 | C1 | H19 | 46.5° | 62.1° |
