AXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.35Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.35Å | Aromatic |
| C16 | N2 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | N1 | sing | 1.47Å | 1.50Å | |
| C8 | N1 | sing | 1.47Å | 1.51Å | |
| N1 | C7 | sing | 1.47Å | 1.51Å | |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 107.7° | 107.4° |
| C15 | C14 | C13 | 107.6° | 107.4° |
| C14 | C15 | H10 | 126.2° | 126.3° |
| C15 | C14 | H20 | 126.2° | 126.3° |
| C15 | C16 | N2 | 108.0° | 108.2° |
| C16 | C15 | H10 | 126.1° | 126.3° |
| C15 | C16 | H21 | 126.0° | 125.9° |
| C14 | C13 | N2 | 108.3° | 108.2° |
| C14 | C13 | H9 | 125.8° | 125.9° |
| C13 | C14 | H20 | 126.2° | 126.3° |
| C16 | N2 | C13 | 108.4° | 108.7° |
| C16 | N2 | C10 | 125.3° | 125.6° |
| N2 | C16 | H21 | 126.0° | 125.9° |
| C13 | N2 | C10 | 126.3° | 125.6° |
| N2 | C13 | H9 | 125.9° | 125.9° |
| N2 | C10 | C11 | 111.5° | 109.5° |
| N2 | C10 | C9 | 112.3° | 109.6° |
| N2 | C10 | H8 | 107.6° | 109.5° |
| C11 | C10 | C9 | 111.4° | 109.1° |
| C10 | C11 | C12 | 110.1° | 109.3° |
| C11 | C10 | H8 | 106.9° | 109.5° |
| C10 | C11 | H16 | 109.3° | 109.5° |
| C10 | C11 | H17 | 109.3° | 109.5° |
| C10 | C9 | C8 | 111.9° | 109.3° |
| C9 | C10 | H8 | 106.8° | 109.6° |
| C10 | C9 | H14 | 108.9° | 109.5° |
| C10 | C9 | H15 | 108.8° | 109.5° |
| C11 | C12 | N1 | 108.7° | 109.5° |
| C12 | C11 | H16 | 109.3° | 109.5° |
| C12 | C11 | H17 | 109.3° | 109.5° |
| C11 | C12 | H18 | 109.7° | 109.4° |
| C11 | C12 | H19 | 109.7° | 109.5° |
| C9 | C8 | N1 | 111.5° | 109.6° |
| C9 | C8 | H6 | 109.0° | 109.5° |
| C9 | C8 | H7 | 109.0° | 109.5° |
| C8 | C9 | H14 | 108.8° | 109.5° |
| C8 | C9 | H15 | 108.9° | 109.5° |
| C12 | N1 | C8 | 111.0° | 111.2° |
| C12 | N1 | C7 | 111.7° | 111.0° |
| N1 | C12 | H18 | 109.7° | 109.4° |
| N1 | C12 | H19 | 109.7° | 109.5° |
| C8 | N1 | C7 | 112.6° | 111.0° |
| N1 | C8 | H6 | 109.0° | 109.4° |
| N1 | C8 | H7 | 109.0° | 109.5° |
| N1 | C7 | C4 | 112.0° | 109.5° |
| N1 | C7 | H4 | 108.9° | 109.5° |
| N1 | C7 | H5 | 108.8° | 109.4° |
| C7 | C4 | C3 | 120.7° | 119.9° |
| C7 | C4 | C5 | 120.1° | 120.0° |
| C4 | C7 | H4 | 108.8° | 109.5° |
| C4 | C7 | H5 | 108.8° | 109.5° |
| C3 | C4 | C5 | 119.0° | 120.1° |
| C4 | C3 | C2 | 120.5° | 119.9° |
| C4 | C3 | H13 | 119.8° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H2 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C3 | C2 | H12 | 120.0° | 119.9° |
| C2 | C3 | H13 | 119.8° | 120.0° |
| C5 | C6 | C1 | 120.3° | 120.0° |
| C6 | C5 | H2 | 119.8° | 120.0° |
| C5 | C6 | H3 | 119.9° | 120.0° |
| C2 | C1 | C6 | 119.9° | 120.0° |
| C2 | C1 | H11 | 120.1° | 120.0° |
| C1 | C2 | H12 | 120.0° | 120.0° |
| C1 | C6 | H3 | 119.8° | 120.0° |
| C6 | C1 | H11 | 120.0° | 120.0° |
| H4 | C7 | H5 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C15 | C14 | C13 | H20 | 180.0° | 179.6° |
| C14 | C15 | C16 | N2 | 0.5° | 0.4° |
| C15 | C14 | C13 | N2 | 0.7° | 0.1° |
| C15 | C14 | C13 | H9 | 179.3° | 179.7° |
| C14 | C15 | C16 | H21 | 179.5° | 180.0° |
| C16 | C15 | C14 | C13 | 0.8° | 0.3° |
| C15 | C16 | N2 | H21 | 180.0° | 179.6° |
| C15 | C16 | N2 | C13 | 0.1° | 0.4° |
| C15 | C16 | N2 | C10 | 178.9° | 179.6° |
| C16 | C15 | C14 | H20 | 179.2° | 179.9° |
| C14 | C13 | N2 | C16 | 0.4° | 0.2° |
| C14 | C13 | N2 | H9 | 180.0° | 179.8° |
| C14 | C13 | N2 | C10 | 178.4° | 179.8° |
| C13 | C14 | C15 | H10 | 179.2° | 179.9° |
| C16 | N2 | C13 | C10 | 178.8° | 180.0° |
| C16 | N2 | C10 | C11 | 104.1° | 60.0° |
| C16 | N2 | C10 | C9 | 130.1° | 59.7° |
| C16 | N2 | C10 | H8 | 12.8° | 179.9° |
| C16 | N2 | C13 | H9 | 179.6° | 180.0° |
| N2 | C16 | C15 | H10 | 179.5° | 179.8° |
| C13 | N2 | C10 | C11 | 74.6° | 120.0° |
| C13 | N2 | C10 | C9 | 51.3° | 120.3° |
| C13 | N2 | C10 | H8 | 168.6° | 0.1° |
| N2 | C13 | C14 | H20 | 179.3° | 179.7° |
| C13 | N2 | C16 | H21 | 179.9° | 180.0° |
| N2 | C10 | C11 | C9 | 126.4° | 119.9° |
| N2 | C10 | C11 | H8 | 117.3° | 120.1° |
| N2 | C10 | C9 | H8 | 117.7° | 120.2° |
| N2 | C10 | C11 | C12 | 177.3° | 177.6° |
| N2 | C10 | C9 | C8 | 176.7° | 177.6° |
| C10 | N2 | C13 | H9 | 1.6° | 0.0° |
| N2 | C10 | C9 | H14 | 62.9° | 57.6° |
| N2 | C10 | C9 | H15 | 56.3° | 62.5° |
| N2 | C10 | C11 | H16 | 62.6° | 57.6° |
| N2 | C10 | C11 | H17 | 57.2° | 62.4° |
| C10 | N2 | C16 | H21 | 1.1° | 0.0° |
| C11 | C10 | C9 | H8 | 116.4° | 119.9° |
| C10 | C11 | C12 | H16 | 120.1° | 119.9° |
| C10 | C11 | C12 | H17 | 120.1° | 120.0° |
| C11 | C10 | C9 | C8 | 50.8° | 57.6° |
| C10 | C11 | C12 | N1 | 61.4° | 59.2° |
| C11 | C10 | C9 | H14 | 171.2° | 62.3° |
| C11 | C10 | C9 | H15 | 69.5° | 177.6° |
| C10 | C11 | H16 | H17 | 119.7° | 120.0° |
| C10 | C11 | C12 | H18 | 178.8° | 60.8° |
| C10 | C11 | C12 | H19 | 58.5° | 179.2° |
| C9 | C10 | C11 | C12 | 56.3° | 57.6° |
| C10 | C9 | C8 | H14 | 120.4° | 120.0° |
| C10 | C9 | C8 | H15 | 120.4° | 120.0° |
| C10 | C9 | C8 | N1 | 50.9° | 59.2° |
| C10 | C9 | C8 | H6 | 69.4° | 179.2° |
| C10 | C9 | C8 | H7 | 171.2° | 60.8° |
| C10 | C9 | H14 | H15 | 118.9° | 120.1° |
| C9 | C10 | C11 | H16 | 63.8° | 62.3° |
| C9 | C10 | C11 | H17 | 176.4° | 177.6° |
| C11 | C12 | N1 | H18 | 119.9° | 119.9° |
| C11 | C12 | N1 | H19 | 119.9° | 120.0° |
| C11 | C12 | N1 | C8 | 62.0° | 61.7° |
| C11 | C12 | N1 | C7 | 171.5° | 174.2° |
| C12 | C11 | C10 | H8 | 60.1° | 62.3° |
| C12 | C11 | H16 | H17 | 119.8° | 120.1° |
| C11 | C12 | H18 | H19 | 120.4° | 120.0° |
| C9 | C8 | N1 | C12 | 56.9° | 61.7° |
| C9 | C8 | N1 | H6 | 120.3° | 120.0° |
| C9 | C8 | N1 | H7 | 120.3° | 120.1° |
| C9 | C8 | N1 | C7 | 177.0° | 174.2° |
| C9 | C8 | H6 | H7 | 119.1° | 120.0° |
| C8 | C9 | C10 | H8 | 65.6° | 62.2° |
| C8 | C9 | H14 | H15 | 118.9° | 120.1° |
| C12 | N1 | C8 | C7 | 126.1° | 124.1° |
| C12 | N1 | C7 | C4 | 173.9° | 65.8° |
| C12 | N1 | C7 | H4 | 65.7° | 54.2° |
| C12 | N1 | C7 | H5 | 53.6° | 174.2° |
| C12 | N1 | C8 | H6 | 63.4° | 178.2° |
| C12 | N1 | C8 | H7 | 177.2° | 58.3° |
| N1 | C12 | C11 | H16 | 58.7° | 60.8° |
| N1 | C12 | C11 | H17 | 178.5° | 179.1° |
| N1 | C12 | H18 | H19 | 120.4° | 120.0° |
| C8 | N1 | C7 | C4 | 48.3° | 170.0° |
| C8 | N1 | C7 | H4 | 168.7° | 69.9° |
| C8 | N1 | C7 | H5 | 72.1° | 50.1° |
| N1 | C8 | H6 | H7 | 119.1° | 120.0° |
| N1 | C8 | C9 | H14 | 171.2° | 60.7° |
| N1 | C8 | C9 | H15 | 69.5° | 179.2° |
| C8 | N1 | C12 | H18 | 178.2° | 58.2° |
| C8 | N1 | C12 | H19 | 57.9° | 178.3° |
| N1 | C7 | C4 | H4 | 120.4° | 120.0° |
| N1 | C7 | C4 | H5 | 120.4° | 120.0° |
| N1 | C7 | C4 | C3 | 67.6° | 90.0° |
| N1 | C7 | C4 | C5 | 107.8° | 90.2° |
| N1 | C7 | H4 | H5 | 118.8° | 120.0° |
| C7 | N1 | C8 | H6 | 62.7° | 54.2° |
| C7 | N1 | C8 | H7 | 56.7° | 65.8° |
| C7 | N1 | C12 | H18 | 51.7° | 65.8° |
| C7 | N1 | C12 | H19 | 68.6° | 54.2° |
| C7 | C4 | C3 | C5 | 175.4° | 179.7° |
| C7 | C4 | C3 | C2 | 176.6° | 179.8° |
| C7 | C4 | C5 | C6 | 176.8° | 179.7° |
| C7 | C4 | C5 | H2 | 3.2° | 0.3° |
| C4 | C7 | H4 | H5 | 118.8° | 120.0° |
| C7 | C4 | C3 | H13 | 3.4° | 0.3° |
| C4 | C3 | C2 | H13 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.3° | 0.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | H2 | 178.7° | 180.0° |
| C3 | C4 | C7 | H4 | 52.8° | 30.0° |
| C3 | C4 | C7 | H5 | 172.1° | 150.0° |
| C4 | C3 | C2 | H12 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 1.2° | 0.1° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C5 | C4 | C7 | H4 | 131.8° | 149.7° |
| C5 | C4 | C7 | H5 | 12.6° | 29.7° |
| C5 | C4 | C3 | H13 | 178.8° | 180.0° |
| C3 | C2 | C1 | H12 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 1.4° | 0.0° |
| C3 | C2 | C1 | H11 | 178.6° | 179.9° |
| C5 | C6 | C1 | C2 | 1.3° | 0.0° |
| C5 | C6 | C1 | H3 | 180.0° | 180.0° |
| C5 | C6 | C1 | H11 | 178.8° | 179.9° |
| C2 | C1 | C6 | H11 | 180.0° | 179.9° |
| C2 | C1 | C6 | H3 | 178.7° | 180.0° |
| C1 | C2 | C3 | H13 | 179.9° | 180.0° |
| C1 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C1 | C2 | H12 | 178.6° | 179.9° |
| H2 | C5 | C6 | H3 | 0.1° | 0.0° |
| H3 | C6 | C1 | H11 | 1.3° | 0.1° |
| H6 | C8 | C9 | H14 | 50.9° | 59.3° |
| H6 | C8 | C9 | H15 | 170.2° | 60.8° |
| H7 | C8 | C9 | H14 | 68.4° | 179.2° |
| H7 | C8 | C9 | H15 | 50.8° | 59.1° |
| H8 | C10 | C9 | H14 | 54.8° | 177.8° |
| H8 | C10 | C9 | H15 | 174.1° | 57.7° |
| H8 | C10 | C11 | H16 | 179.8° | 177.7° |
| H8 | C10 | C11 | H17 | 60.1° | 57.7° |
| H9 | C13 | C14 | H20 | 0.7° | 0.1° |
| H10 | C15 | C14 | H20 | 0.8° | 0.3° |
| H10 | C15 | C16 | H21 | 0.5° | 0.2° |
| H11 | C1 | C2 | H12 | 1.4° | 0.0° |
| H12 | C2 | C3 | H13 | 0.1° | 0.1° |
| H16 | C11 | C12 | H18 | 61.2° | 179.2° |
| H16 | C11 | C12 | H19 | 178.6° | 59.2° |
| H17 | C11 | C12 | H18 | 58.7° | 59.2° |
| H17 | C11 | C12 | H19 | 61.6° | 60.8° |
