X0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.40Å | |
| C3 | C9 | sing | 1.51Å | 1.50Å | |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C10 | sing | 1.35Å | 1.38Å | |
| O1 | C10 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C1 | 120.1° | 119.9° |
| C6 | C5 | C4 | 120.2° | 120.2° |
| C6 | C5 | H3 | 119.9° | 119.9° |
| C5 | C6 | H4 | 119.9° | 120.0° |
| C6 | C1 | C2 | 119.2° | 120.1° |
| C1 | C6 | H4 | 119.9° | 120.1° |
| C6 | C1 | H1 | 120.4° | 119.9° |
| C5 | C4 | C3 | 120.6° | 120.3° |
| C5 | C4 | H2 | 119.7° | 119.8° |
| C4 | C5 | H3 | 119.9° | 119.9° |
| C1 | C2 | C3 | 121.1° | 120.0° |
| C1 | C2 | N1 | 117.8° | 119.1° |
| C2 | C1 | H1 | 120.4° | 120.0° |
| C4 | C3 | C2 | 118.8° | 119.5° |
| C4 | C3 | C9 | 118.4° | 119.0° |
| C3 | C4 | H2 | 119.7° | 119.8° |
| C3 | C2 | N1 | 121.1° | 120.8° |
| C2 | C3 | C9 | 122.8° | 121.5° |
| C2 | N1 | C7 | 117.3° | 118.9° |
| C2 | N1 | H5 | 107.5° | 120.5° |
| C3 | C9 | C8 | 108.3° | 110.5° |
| C3 | C9 | H9 | 109.8° | 109.3° |
| C3 | C9 | H10 | 109.8° | 109.3° |
| N1 | C7 | C8 | 112.6° | 108.2° |
| N1 | C7 | H6 | 108.7° | 109.2° |
| N1 | C7 | H7 | 108.7° | 110.1° |
| C7 | N1 | H5 | 107.5° | 120.6° |
| C9 | C8 | C7 | 107.9° | 109.1° |
| C9 | C8 | N2 | 112.1° | 109.4° |
| C9 | C8 | H8 | 109.5° | 109.6° |
| C8 | C9 | H9 | 109.8° | 109.3° |
| C8 | C9 | H10 | 109.7° | 109.3° |
| C7 | C8 | N2 | 107.7° | 109.6° |
| C8 | C7 | H6 | 108.7° | 109.8° |
| C8 | C7 | H7 | 108.7° | 109.8° |
| C7 | C8 | H8 | 109.4° | 109.6° |
| C8 | N2 | C10 | 121.5° | 120.0° |
| N2 | C8 | H8 | 110.2° | 109.5° |
| C8 | N2 | H11 | 119.3° | 120.0° |
| N2 | C10 | O1 | 121.2° | 120.0° |
| N2 | C10 | C11 | 116.7° | 120.0° |
| C10 | N2 | H11 | 119.3° | 120.0° |
| O1 | C10 | C11 | 122.1° | 120.0° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.4° | 109.4° |
| C10 | C11 | H13 | 109.4° | 109.4° |
| H14 | C11 | H12 | 109.5° | 109.5° |
| H14 | C11 | H13 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.8° |
| H9 | C9 | H10 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C1 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.3° | 0.3° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H2 | 179.9° | 179.7° |
| C5 | C6 | C1 | H1 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.4° | 0.7° |
| C6 | C1 | C2 | N1 | 179.7° | 179.6° |
| C1 | C6 | C5 | H3 | 179.9° | 179.9° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.2° | 0.4° |
| C5 | C4 | C3 | C9 | 179.9° | 179.5° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.7° |
| C1 | C2 | C3 | N1 | 179.9° | 179.7° |
| C1 | C2 | C3 | C9 | 179.8° | 179.2° |
| C1 | C2 | N1 | C7 | 176.3° | 166.6° |
| C2 | C1 | C6 | H4 | 179.7° | 179.7° |
| C1 | C2 | N1 | H5 | 62.6° | 14.0° |
| C4 | C3 | C2 | C9 | 179.9° | 179.9° |
| C4 | C3 | C2 | N1 | 179.8° | 179.6° |
| C4 | C3 | C9 | C8 | 152.9° | 159.4° |
| C3 | C4 | C5 | H3 | 179.9° | 179.9° |
| C4 | C3 | C9 | H9 | 87.3° | 39.1° |
| C4 | C3 | C9 | H10 | 33.1° | 80.3° |
| C3 | C2 | N1 | C7 | 3.6° | 13.1° |
| C2 | C3 | C9 | C8 | 27.0° | 20.7° |
| C2 | C3 | C4 | H2 | 179.9° | 180.0° |
| C2 | C3 | C9 | H9 | 92.8° | 141.0° |
| C2 | C3 | C9 | H10 | 146.8° | 99.6° |
| C3 | C2 | N1 | H5 | 117.5° | 166.3° |
| C3 | C2 | C1 | H1 | 179.6° | 179.6° |
| N1 | C2 | C3 | C9 | 0.1° | 0.5° |
| C2 | N1 | C7 | H5 | 121.1° | 179.3° |
| C2 | N1 | C7 | C8 | 34.5° | 44.0° |
| C2 | N1 | C7 | H6 | 155.0° | 75.4° |
| C2 | N1 | C7 | H7 | 86.0° | 164.0° |
| N1 | C2 | C1 | H1 | 0.3° | 0.1° |
| C3 | C9 | C8 | H9 | 119.8° | 120.3° |
| C3 | C9 | C8 | H10 | 119.8° | 120.3° |
| C3 | C9 | C8 | C7 | 54.5° | 51.1° |
| C3 | C9 | C8 | N2 | 173.0° | 171.0° |
| C9 | C3 | C4 | H2 | 0.1° | 0.1° |
| C3 | C9 | C8 | H8 | 64.5° | 68.9° |
| C3 | C9 | H9 | H10 | 120.5° | 119.4° |
| N1 | C7 | C8 | C9 | 60.9° | 62.7° |
| N1 | C7 | C8 | H6 | 120.4° | 119.0° |
| N1 | C7 | C8 | H7 | 120.5° | 120.1° |
| N1 | C7 | C8 | N2 | 178.0° | 177.5° |
| N1 | C7 | H6 | H7 | 118.6° | 120.8° |
| N1 | C7 | C8 | H8 | 58.2° | 57.3° |
| C9 | C8 | C7 | N2 | 121.2° | 119.8° |
| C9 | C8 | C7 | H8 | 119.1° | 120.0° |
| C9 | C8 | N2 | H8 | 122.2° | 120.2° |
| C9 | C8 | N2 | C10 | 165.4° | 155.4° |
| C9 | C8 | C7 | H6 | 178.7° | 56.3° |
| C9 | C8 | C7 | H7 | 59.6° | 177.2° |
| C8 | C9 | H9 | H10 | 120.5° | 119.5° |
| C9 | C8 | N2 | H11 | 14.5° | 24.6° |
| C7 | C8 | N2 | H8 | 119.2° | 120.2° |
| C7 | C8 | N2 | C10 | 76.0° | 85.0° |
| C8 | C7 | H6 | H7 | 118.6° | 120.8° |
| C7 | C8 | C9 | H9 | 65.3° | 171.4° |
| C7 | C8 | C9 | H10 | 174.3° | 69.1° |
| C8 | C7 | N1 | H5 | 86.6° | 135.3° |
| C7 | C8 | N2 | H11 | 104.0° | 95.0° |
| C8 | N2 | C10 | H11 | 180.0° | 180.0° |
| C8 | N2 | C10 | O1 | 0.5° | 0.0° |
| C8 | N2 | C10 | C11 | 179.7° | 180.0° |
| N2 | C8 | C7 | H6 | 57.5° | 63.5° |
| N2 | C8 | C7 | H7 | 61.6° | 57.4° |
| N2 | C8 | C9 | H9 | 53.1° | 68.8° |
| N2 | C8 | C9 | H10 | 67.2° | 50.7° |
| N2 | C10 | O1 | C11 | 179.8° | 179.9° |
| N2 | C10 | C11 | H14 | 179.8° | 90.0° |
| N2 | C10 | C11 | H12 | 60.2° | 150.0° |
| N2 | C10 | C11 | H13 | 59.8° | 30.0° |
| C10 | N2 | C8 | H8 | 43.2° | 35.3° |
| O1 | C10 | C11 | H14 | 0.0° | 90.0° |
| O1 | C10 | C11 | H12 | 120.0° | 30.1° |
| O1 | C10 | C11 | H13 | 120.0° | 150.1° |
| O1 | C10 | N2 | H11 | 179.5° | 180.0° |
| C10 | C11 | H14 | H12 | 120.0° | 120.0° |
| C10 | C11 | H14 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H13 | 119.9° | 120.0° |
| C11 | C10 | N2 | H11 | 0.3° | 0.0° |
| H2 | C4 | C5 | H3 | 0.1° | 0.4° |
| H3 | C5 | C6 | H4 | 0.2° | 0.1° |
| H4 | C6 | C1 | H1 | 0.3° | 0.1° |
| H14 | C11 | H12 | H13 | 120.0° | 120.0° |
| H6 | C7 | C8 | H8 | 62.3° | 176.3° |
| H6 | C7 | N1 | H5 | 33.9° | 105.3° |
| H7 | C7 | C8 | H8 | 178.7° | 62.8° |
| H7 | C7 | N1 | H5 | 152.9° | 15.3° |
| H8 | C8 | C9 | H9 | 175.7° | 51.4° |
| H8 | C8 | C9 | H10 | 55.4° | 170.9° |
| H8 | C8 | N2 | H11 | 136.7° | 144.8° |
