9AH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C5 | N6 | trip | 1.14Å | 1.16Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 110.1° | 109.4° |
| C9 | C8 | H6 | 109.3° | 109.5° |
| C9 | C8 | H7 | 109.3° | 109.5° |
| C8 | C9 | H8 | 109.5° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C8 | C7 | N1 | 114.0° | 109.5° |
| C7 | C8 | H6 | 109.3° | 109.5° |
| C7 | C8 | H7 | 109.3° | 109.5° |
| C8 | C7 | H20 | 108.3° | 109.5° |
| C8 | C7 | H21 | 108.3° | 109.5° |
| C7 | N1 | C2 | 104.9° | 111.0° |
| C7 | N1 | C10 | 111.6° | 111.0° |
| N1 | C7 | H20 | 108.3° | 109.4° |
| N1 | C7 | H21 | 108.3° | 109.4° |
| C2 | N1 | C10 | 109.8° | 111.0° |
| N1 | C2 | C3 | 110.6° | 109.5° |
| N1 | C2 | H2 | 109.2° | 109.5° |
| N1 | C2 | H3 | 109.2° | 109.5° |
| N1 | C10 | C11 | 111.1° | 109.4° |
| N1 | C10 | H11 | 109.1° | 109.5° |
| N1 | C10 | H12 | 109.1° | 109.5° |
| C2 | C3 | C4 | 110.1° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.4° |
| C3 | C2 | H3 | 109.2° | 109.4° |
| C2 | C3 | H4 | 109.3° | 109.4° |
| C2 | C3 | H5 | 109.3° | 109.5° |
| C10 | C11 | C12 | 109.7° | 109.5° |
| C11 | C10 | H11 | 109.0° | 109.5° |
| C11 | C10 | H12 | 109.1° | 109.5° |
| C10 | C11 | H13 | 109.4° | 109.4° |
| C10 | C11 | H14 | 109.4° | 109.5° |
| C3 | C4 | C5 | 108.9° | 109.4° |
| C4 | C3 | H4 | 109.3° | 109.5° |
| C4 | C3 | H5 | 109.3° | 109.5° |
| C3 | C4 | H18 | 109.6° | 109.4° |
| C3 | C4 | H19 | 109.6° | 109.5° |
| C4 | C5 | N6 | 177.1° | 179.9° |
| C5 | C4 | H18 | 109.6° | 109.5° |
| C5 | C4 | H19 | 109.6° | 109.5° |
| C12 | C11 | H13 | 109.4° | 109.5° |
| C12 | C11 | H14 | 109.4° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H10 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H18 | C4 | H19 | 109.5° | 109.5° |
| H20 | C7 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H6 | 120.1° | 120.0° |
| C9 | C8 | C7 | H7 | 120.1° | 120.0° |
| C9 | C8 | C7 | N1 | 167.0° | 175.9° |
| C9 | C8 | H6 | H7 | 119.7° | 120.0° |
| C8 | C9 | H8 | H9 | 120.0° | 120.0° |
| C8 | C9 | H8 | H10 | 120.0° | 120.0° |
| C8 | C9 | H9 | H10 | 120.0° | 120.0° |
| C9 | C8 | C7 | H20 | 46.3° | 64.1° |
| C9 | C8 | C7 | H21 | 72.3° | 56.0° |
| C8 | C7 | N1 | H20 | 120.7° | 120.0° |
| C8 | C7 | N1 | H21 | 120.7° | 120.0° |
| C8 | C7 | N1 | C2 | 110.6° | 76.3° |
| C8 | C7 | N1 | C10 | 8.2° | 159.7° |
| C7 | C8 | H6 | H7 | 119.7° | 120.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 60.0° | 60.0° |
| C7 | C8 | C9 | H10 | 60.0° | 60.0° |
| C8 | C7 | H20 | H21 | 117.9° | 120.0° |
| C7 | N1 | C2 | C10 | 120.0° | 124.0° |
| C7 | N1 | C2 | C3 | 128.4° | 170.0° |
| C7 | N1 | C10 | C11 | 157.6° | 72.2° |
| C7 | N1 | C2 | H2 | 111.4° | 50.0° |
| C7 | N1 | C2 | H3 | 8.3° | 70.1° |
| N1 | C7 | C8 | H6 | 72.9° | 64.1° |
| N1 | C7 | C8 | H7 | 46.9° | 56.0° |
| C7 | N1 | C10 | H11 | 37.3° | 167.8° |
| C7 | N1 | C10 | H12 | 82.2° | 47.7° |
| N1 | C7 | H20 | H21 | 117.9° | 120.0° |
| N1 | C2 | C3 | H2 | 120.2° | 120.0° |
| N1 | C2 | C3 | H3 | 120.2° | 120.0° |
| C2 | N1 | C10 | C11 | 86.6° | 163.8° |
| N1 | C2 | C3 | C4 | 157.4° | 180.0° |
| N1 | C2 | H2 | H3 | 119.5° | 120.1° |
| N1 | C2 | C3 | H4 | 37.3° | 60.0° |
| N1 | C2 | C3 | H5 | 82.5° | 60.0° |
| C2 | N1 | C10 | H11 | 153.2° | 43.8° |
| C2 | N1 | C10 | H12 | 33.7° | 76.2° |
| C2 | N1 | C7 | H20 | 10.1° | 163.7° |
| C2 | N1 | C7 | H21 | 128.7° | 43.7° |
| C10 | N1 | C2 | C3 | 111.6° | 66.0° |
| N1 | C10 | C11 | H11 | 120.3° | 120.0° |
| N1 | C10 | C11 | H12 | 120.2° | 120.0° |
| N1 | C10 | C11 | C12 | 148.7° | 175.0° |
| C10 | N1 | C2 | H2 | 8.5° | 174.0° |
| C10 | N1 | C2 | H3 | 128.3° | 53.9° |
| N1 | C10 | H11 | H12 | 119.3° | 120.0° |
| N1 | C10 | C11 | H13 | 91.2° | 64.9° |
| N1 | C10 | C11 | H14 | 28.7° | 55.0° |
| C10 | N1 | C7 | H20 | 128.9° | 39.7° |
| C10 | N1 | C7 | H21 | 112.5° | 80.3° |
| C2 | C3 | C4 | H4 | 120.1° | 120.0° |
| C2 | C3 | C4 | H5 | 120.1° | 120.0° |
| C2 | C3 | C4 | C5 | 99.5° | 180.0° |
| C3 | C2 | H2 | H3 | 119.5° | 119.9° |
| C2 | C3 | H4 | H5 | 119.7° | 120.0° |
| C2 | C3 | C4 | H18 | 20.5° | 60.0° |
| C2 | C3 | C4 | H19 | 140.6° | 60.0° |
| C10 | C11 | C12 | H13 | 120.1° | 120.0° |
| C10 | C11 | C12 | H14 | 120.0° | 120.0° |
| C11 | C10 | H11 | H12 | 119.2° | 120.0° |
| C10 | C11 | H13 | H14 | 119.9° | 119.9° |
| C10 | C11 | C12 | H15 | 180.0° | 60.0° |
| C10 | C11 | C12 | H16 | 60.0° | 60.0° |
| C10 | C11 | C12 | H17 | 60.0° | 180.0° |
| C3 | C4 | C5 | H18 | 119.9° | 120.0° |
| C3 | C4 | C5 | H19 | 119.9° | 120.0° |
| C3 | C4 | C5 | N6 | 150.8° | 164.4° |
| C4 | C3 | C2 | H2 | 82.4° | 60.0° |
| C4 | C3 | C2 | H3 | 37.2° | 60.0° |
| C4 | C3 | H4 | H5 | 119.7° | 120.0° |
| C3 | C4 | H18 | H19 | 120.2° | 120.0° |
| C5 | C4 | C3 | H4 | 140.5° | 60.0° |
| C5 | C4 | C3 | H5 | 20.6° | 60.0° |
| C5 | C4 | H18 | H19 | 120.3° | 120.1° |
| C12 | C11 | C10 | H11 | 28.5° | 55.1° |
| C12 | C11 | C10 | H12 | 91.0° | 65.0° |
| C12 | C11 | H13 | H14 | 119.9° | 120.1° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| N6 | C5 | C4 | H18 | 89.3° | 44.5° |
| N6 | C5 | C4 | H19 | 30.9° | 75.6° |
| H2 | C2 | C3 | H4 | 157.5° | 180.0° |
| H2 | C2 | C3 | H5 | 37.7° | 60.0° |
| H3 | C2 | C3 | H4 | 82.9° | 60.1° |
| H3 | C2 | C3 | H5 | 157.3° | 180.0° |
| H4 | C3 | C4 | H18 | 99.6° | 180.0° |
| H4 | C3 | C4 | H19 | 20.6° | 60.0° |
| H5 | C3 | C4 | H18 | 140.6° | 60.0° |
| H5 | C3 | C4 | H19 | 99.3° | 180.0° |
| H6 | C8 | C9 | H8 | 59.9° | 60.0° |
| H6 | C8 | C9 | H9 | 60.1° | 60.0° |
| H6 | C8 | C9 | H10 | 179.9° | 180.0° |
| H6 | C8 | C7 | H20 | 166.4° | 55.9° |
| H6 | C8 | C7 | H21 | 47.8° | 176.0° |
| H7 | C8 | C9 | H8 | 59.9° | 60.0° |
| H7 | C8 | C9 | H9 | 180.0° | 180.0° |
| H7 | C8 | C9 | H10 | 60.1° | 60.0° |
| H7 | C8 | C7 | H20 | 73.8° | 175.9° |
| H7 | C8 | C7 | H21 | 167.6° | 64.0° |
| H8 | C9 | H9 | H10 | 120.0° | 120.0° |
| H11 | C10 | C11 | H13 | 148.5° | 175.1° |
| H11 | C10 | C11 | H14 | 91.6° | 65.0° |
| H12 | C10 | C11 | H13 | 29.0° | 55.0° |
| H12 | C10 | C11 | H14 | 148.9° | 175.0° |
| H13 | C11 | C12 | H15 | 59.9° | 179.9° |
| H13 | C11 | C12 | H16 | 180.0° | 60.0° |
| H13 | C11 | C12 | H17 | 60.0° | 60.0° |
| H14 | C11 | C12 | H15 | 60.0° | 60.0° |
| H14 | C11 | C12 | H16 | 60.0° | 180.0° |
| H14 | C11 | C12 | H17 | 179.9° | 60.0° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
