KQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.54Å | 1.53Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C23 | C19 | sing | 1.54Å | 1.55Å | |
| C25 | C19 | sing | 1.54Å | 1.55Å | |
| C19 | N7 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | N8 | sing | 1.47Å | 1.51Å | |
| N8 | C21 | sing | 1.47Å | 1.46Å | |
| N8 | C22 | sing | 1.47Å | 1.46Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| N7 | H11 | sing | 1.01Å | 1.00Å | |
| N7 | H12 | sing | 1.01Å | 1.00Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 89.1° | 87.1° |
| C24 | C23 | C19 | 89.1° | 87.1° |
| C24 | C23 | H9 | 114.3° | 113.6° |
| C24 | C23 | H10 | 114.3° | 113.7° |
| C23 | C24 | H16 | 114.3° | 113.6° |
| C23 | C24 | H17 | 114.3° | 113.6° |
| C24 | C25 | C19 | 89.0° | 87.0° |
| C24 | C25 | H14 | 114.3° | 113.7° |
| C24 | C25 | H15 | 114.3° | 113.7° |
| C25 | C24 | H16 | 114.3° | 113.7° |
| C25 | C24 | H17 | 114.3° | 113.6° |
| C23 | C19 | C25 | 87.7° | 87.2° |
| C23 | C19 | N7 | 123.7° | 113.6° |
| C23 | C19 | C20 | 108.0° | 113.7° |
| C19 | C23 | H9 | 114.3° | 113.6° |
| C19 | C23 | H10 | 114.3° | 113.6° |
| C25 | C19 | N7 | 123.1° | 113.6° |
| C25 | C19 | C20 | 111.1° | 113.6° |
| C19 | C25 | H14 | 114.3° | 113.6° |
| C19 | C25 | H15 | 114.3° | 113.6° |
| N7 | C19 | C20 | 102.5° | 112.8° |
| C19 | N7 | H11 | 109.5° | 111.0° |
| C19 | N7 | H12 | 109.5° | 111.0° |
| C19 | C20 | N8 | 116.1° | 109.5° |
| C19 | C20 | H1 | 107.8° | 109.4° |
| C19 | C20 | H2 | 107.8° | 109.5° |
| C20 | N8 | C21 | 111.8° | 111.1° |
| C20 | N8 | C22 | 111.8° | 111.0° |
| N8 | C20 | H1 | 107.8° | 109.5° |
| N8 | C20 | H2 | 107.8° | 109.5° |
| C21 | N8 | C22 | 109.9° | 111.0° |
| N8 | C21 | H3 | 109.5° | 109.5° |
| N8 | C21 | H4 | 109.5° | 109.5° |
| N8 | C21 | H5 | 109.5° | 109.4° |
| N8 | C22 | H6 | 109.5° | 109.5° |
| N8 | C22 | H7 | 109.5° | 109.5° |
| N8 | C22 | H8 | 109.5° | 109.5° |
| H1 | C20 | H2 | 109.4° | 109.4° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H3 | C21 | H5 | 109.4° | 109.4° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H8 | 109.5° | 109.4° |
| H7 | C22 | H8 | 109.5° | 109.4° |
| H9 | C23 | H10 | 109.4° | 112.8° |
| H11 | N7 | H12 | 109.4° | 111.0° |
| H14 | C25 | H15 | 109.5° | 112.8° |
| H16 | C24 | H17 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H16 | 116.4° | 114.5° |
| C23 | C24 | C25 | H17 | 116.4° | 114.5° |
| C24 | C23 | C19 | H9 | 116.4° | 114.6° |
| C24 | C23 | C19 | H10 | 116.4° | 114.7° |
| C23 | C24 | C25 | C19 | 17.1° | 25.4° |
| C24 | C23 | C19 | N7 | 112.2° | 89.1° |
| C24 | C23 | C19 | C20 | 128.3° | 140.1° |
| C24 | C23 | H9 | H10 | 129.7° | 131.3° |
| C23 | C24 | C25 | H14 | 133.4° | 89.1° |
| C23 | C24 | C25 | H15 | 99.3° | 140.0° |
| C23 | C24 | H16 | H17 | 129.7° | 131.2° |
| C24 | C25 | C19 | H14 | 116.4° | 114.6° |
| C24 | C25 | C19 | H15 | 116.4° | 114.6° |
| C24 | C25 | C19 | N7 | 112.7° | 89.1° |
| C24 | C25 | C19 | C20 | 125.3° | 140.1° |
| C25 | C24 | C23 | H9 | 99.3° | 140.0° |
| C25 | C24 | C23 | H10 | 133.4° | 89.2° |
| C24 | C25 | H14 | H15 | 129.7° | 131.4° |
| C25 | C24 | H16 | H17 | 129.7° | 131.3° |
| C23 | C19 | C25 | N7 | 129.5° | 114.6° |
| C23 | C19 | C25 | C20 | 108.4° | 114.6° |
| C23 | C19 | N7 | C20 | 121.9° | 131.2° |
| C23 | C19 | C20 | N8 | 132.6° | 178.4° |
| C23 | C19 | C20 | H1 | 11.6° | 58.4° |
| C23 | C19 | C20 | H2 | 106.5° | 61.5° |
| C19 | C23 | H9 | H10 | 129.7° | 131.2° |
| C23 | C19 | N7 | H11 | 180.0° | 178.5° |
| C23 | C19 | N7 | H12 | 60.0° | 57.6° |
| C23 | C19 | C25 | H14 | 133.2° | 89.1° |
| C23 | C19 | C25 | H15 | 99.5° | 140.1° |
| C19 | C23 | C24 | H16 | 99.3° | 89.2° |
| C19 | C23 | C24 | H17 | 133.5° | 140.0° |
| C25 | C19 | N7 | C20 | 125.9° | 131.2° |
| C25 | C19 | C20 | N8 | 38.0° | 80.8° |
| C25 | C19 | C20 | H1 | 83.0° | 39.2° |
| C25 | C19 | C20 | H2 | 158.9° | 159.1° |
| C25 | C19 | C23 | H9 | 99.5° | 140.0° |
| C25 | C19 | C23 | H10 | 133.3° | 89.2° |
| C25 | C19 | N7 | H11 | 67.9° | 80.9° |
| C25 | C19 | N7 | H12 | 172.2° | 155.2° |
| C19 | C25 | H14 | H15 | 129.7° | 131.2° |
| C19 | C25 | C24 | H16 | 99.3° | 89.1° |
| C19 | C25 | C24 | H17 | 133.4° | 140.0° |
| N7 | C19 | C20 | N8 | 95.4° | 50.3° |
| N7 | C19 | C20 | H1 | 143.6° | 170.3° |
| N7 | C19 | C20 | H2 | 25.6° | 69.7° |
| N7 | C19 | C23 | H9 | 131.4° | 25.5° |
| N7 | C19 | C23 | H10 | 4.2° | 156.3° |
| C19 | N7 | H11 | H12 | 120.0° | 123.9° |
| N7 | C19 | C25 | H14 | 3.7° | 156.3° |
| N7 | C19 | C25 | H15 | 131.0° | 25.5° |
| C19 | C20 | N8 | H1 | 121.0° | 120.0° |
| C19 | C20 | N8 | H2 | 121.0° | 120.0° |
| C19 | C20 | N8 | C21 | 127.3° | 66.1° |
| C19 | C20 | N8 | C22 | 109.0° | 170.0° |
| C19 | C20 | H1 | H2 | 117.0° | 119.9° |
| C20 | C19 | C23 | H9 | 12.0° | 105.4° |
| C20 | C19 | C23 | H10 | 115.2° | 25.4° |
| C20 | C19 | N7 | H11 | 58.0° | 50.3° |
| C20 | C19 | N7 | H12 | 61.9° | 73.6° |
| C20 | C19 | C25 | H14 | 118.3° | 25.5° |
| C20 | C19 | C25 | H15 | 8.9° | 105.3° |
| C20 | N8 | C21 | C22 | 124.8° | 123.9° |
| N8 | C20 | H1 | H2 | 116.9° | 120.0° |
| C20 | N8 | C21 | H3 | 180.0° | 59.9° |
| C20 | N8 | C21 | H4 | 60.0° | 180.0° |
| C20 | N8 | C21 | H5 | 60.0° | 60.0° |
| C20 | N8 | C22 | H6 | 180.0° | 60.0° |
| C20 | N8 | C22 | H7 | 60.0° | 180.0° |
| C20 | N8 | C22 | H8 | 60.0° | 60.0° |
| C21 | N8 | C20 | H1 | 6.3° | 53.9° |
| C21 | N8 | C20 | H2 | 111.7° | 173.9° |
| N8 | C21 | H3 | H4 | 120.0° | 120.1° |
| N8 | C21 | H3 | H5 | 120.0° | 120.0° |
| N8 | C21 | H4 | H5 | 120.0° | 120.0° |
| C21 | N8 | C22 | H6 | 55.3° | 176.1° |
| C21 | N8 | C22 | H7 | 64.8° | 56.0° |
| C21 | N8 | C22 | H8 | 175.3° | 63.9° |
| C22 | N8 | C20 | H1 | 130.0° | 70.0° |
| C22 | N8 | C20 | H2 | 12.0° | 50.0° |
| C22 | N8 | C21 | H3 | 55.2° | 64.0° |
| C22 | N8 | C21 | H4 | 175.2° | 56.1° |
| C22 | N8 | C21 | H5 | 64.7° | 176.0° |
| N8 | C22 | H6 | H7 | 120.0° | 120.0° |
| N8 | C22 | H6 | H8 | 120.0° | 120.0° |
| N8 | C22 | H7 | H8 | 120.0° | 120.0° |
| H3 | C21 | H4 | H5 | 120.0° | 119.9° |
| H6 | C22 | H7 | H8 | 120.0° | 119.9° |
| H9 | C23 | C24 | H16 | 144.3° | 25.4° |
| H9 | C23 | C24 | H17 | 17.1° | 105.5° |
| H10 | C23 | C24 | H16 | 17.1° | 156.2° |
| H10 | C23 | C24 | H17 | 110.2° | 25.4° |
| H14 | C25 | C24 | H16 | 17.0° | 156.3° |
| H14 | C25 | C24 | H17 | 110.2° | 25.4° |
| H15 | C25 | C24 | H16 | 144.3° | 25.4° |
| H15 | C25 | C24 | H17 | 17.1° | 105.5° |
