XM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.45Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.48Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.48Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.48Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.45Å | Aromatic |
| C4 | C9 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.39Å | 1.50Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.54Å | 1.55Å | |
| C8 | C9 | sing | 1.54Å | 1.52Å | |
| C8 | N10 | sing | 1.47Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N10 | H101 | sing | 1.01Å | 1.00Å | |
| N10 | H102 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.3° | 119.9° |
| C1 | C2 | C3 | 117.8° | 120.0° |
| C2 | C1 | H1 | 118.8° | 120.0° |
| C1 | C2 | H2 | 121.1° | 120.0° |
| C1 | C6 | C5 | 118.0° | 120.2° |
| C6 | C1 | H1 | 118.8° | 120.0° |
| C1 | C6 | H6 | 121.0° | 119.9° |
| C2 | C3 | C4 | 122.2° | 120.2° |
| C3 | C2 | H2 | 121.1° | 120.0° |
| C2 | C3 | H3 | 118.9° | 119.9° |
| C3 | C4 | C5 | 118.7° | 119.8° |
| C3 | C4 | C9 | 129.5° | 130.4° |
| C4 | C3 | H3 | 118.9° | 119.9° |
| C5 | C4 | C9 | 111.8° | 109.8° |
| C4 | C5 | C6 | 121.0° | 119.9° |
| C4 | C5 | C7 | 108.5° | 109.7° |
| C4 | C9 | C8 | 104.5° | 105.2° |
| C4 | C9 | H91C | 110.7° | 110.3° |
| C4 | C9 | H92C | 110.7° | 110.3° |
| C6 | C5 | C7 | 130.6° | 130.4° |
| C5 | C6 | H6 | 121.0° | 119.9° |
| C5 | C7 | C8 | 106.4° | 105.2° |
| C5 | C7 | H71C | 110.2° | 110.3° |
| C5 | C7 | H72C | 110.2° | 110.3° |
| C7 | C8 | C9 | 108.7° | 102.4° |
| C7 | C8 | N10 | 110.3° | 110.8° |
| C8 | C7 | H71C | 110.3° | 110.3° |
| C8 | C7 | H72C | 110.3° | 110.3° |
| C7 | C8 | H8 | 110.4° | 110.8° |
| C9 | C8 | N10 | 104.4° | 110.8° |
| C8 | C9 | H91C | 110.7° | 110.3° |
| C8 | C9 | H92C | 110.7° | 110.3° |
| C9 | C8 | H8 | 110.8° | 110.8° |
| N10 | C8 | H8 | 112.1° | 110.9° |
| C8 | N10 | H101 | 109.5° | 111.0° |
| C8 | N10 | H102 | 109.5° | 111.1° |
| H91C | C9 | H92C | 109.5° | 110.4° |
| H71C | C7 | H72C | 109.4° | 110.3° |
| H101 | N10 | H102 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C1 | C2 | C3 | H3 | 179.1° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 179.9° | 180.0° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | C9 | 179.6° | 180.0° |
| C3 | C2 | C1 | H1 | 179.4° | 179.8° |
| C3 | C4 | C5 | C9 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | C7 | 179.7° | 180.0° |
| C3 | C4 | C9 | C8 | 178.5° | 162.8° |
| C4 | C3 | C2 | H2 | 179.1° | 180.0° |
| C3 | C4 | C9 | H91C | 62.3° | 43.9° |
| C3 | C4 | C9 | H92C | 59.3° | 78.3° |
| C4 | C5 | C6 | C7 | 179.9° | 179.9° |
| C4 | C5 | C7 | C8 | 1.7° | 17.2° |
| C5 | C4 | C9 | C8 | 1.7° | 17.2° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.3° | 180.0° |
| C5 | C4 | C9 | H91C | 117.5° | 136.1° |
| C5 | C4 | C9 | H92C | 120.9° | 101.7° |
| C4 | C5 | C7 | H71C | 121.3° | 101.8° |
| C4 | C5 | C7 | H72C | 117.8° | 136.1° |
| C9 | C4 | C5 | C6 | 180.0° | 180.0° |
| C9 | C4 | C5 | C7 | 0.0° | 0.0° |
| C4 | C9 | C8 | C7 | 2.7° | 26.4° |
| C4 | C9 | C8 | H91C | 119.2° | 118.9° |
| C4 | C9 | C8 | H92C | 119.2° | 118.9° |
| C4 | C9 | C8 | N10 | 114.9° | 144.5° |
| C9 | C4 | C3 | H3 | 0.4° | 0.0° |
| C4 | C9 | H91C | H92C | 122.3° | 122.2° |
| C4 | C9 | C8 | H8 | 124.2° | 91.9° |
| C6 | C5 | C7 | C8 | 178.3° | 162.7° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C6 | C5 | C7 | H71C | 58.8° | 78.3° |
| C6 | C5 | C7 | H72C | 62.1° | 43.8° |
| C5 | C7 | C8 | H71C | 119.5° | 118.9° |
| C5 | C7 | C8 | H72C | 119.5° | 118.9° |
| C5 | C7 | C8 | C9 | 2.8° | 26.3° |
| C5 | C7 | C8 | N10 | 111.0° | 144.5° |
| C7 | C5 | C6 | H6 | 0.1° | 0.1° |
| C5 | C7 | H71C | H72C | 121.4° | 122.1° |
| C5 | C7 | C8 | H8 | 124.6° | 91.8° |
| C7 | C8 | C9 | N10 | 117.7° | 118.2° |
| C7 | C8 | C9 | H8 | 121.5° | 118.2° |
| C7 | C8 | N10 | H8 | 123.4° | 123.6° |
| C7 | C8 | C9 | H91C | 116.4° | 145.3° |
| C7 | C8 | C9 | H92C | 122.0° | 92.6° |
| C8 | C7 | H71C | H72C | 121.4° | 122.1° |
| C7 | C8 | N10 | H101 | 180.0° | 180.0° |
| C7 | C8 | N10 | H102 | 60.0° | 56.1° |
| C9 | C8 | N10 | H8 | 120.0° | 123.5° |
| C8 | C9 | H91C | H92C | 122.3° | 122.1° |
| C9 | C8 | C7 | H71C | 122.3° | 92.6° |
| C9 | C8 | C7 | H72C | 116.7° | 145.3° |
| C9 | C8 | N10 | H101 | 63.4° | 67.1° |
| C9 | C8 | N10 | H102 | 56.6° | 56.9° |
| N10 | C8 | C9 | H91C | 125.9° | 96.5° |
| N10 | C8 | C9 | H92C | 4.3° | 25.6° |
| N10 | C8 | C7 | H71C | 8.5° | 25.6° |
| N10 | C8 | C7 | H72C | 129.4° | 96.5° |
| C8 | N10 | H101 | H102 | 120.0° | 124.0° |
| H1 | C1 | C2 | H2 | 0.6° | 0.3° |
| H1 | C1 | C6 | H6 | 0.2° | 0.2° |
| H2 | C2 | C3 | H3 | 0.9° | 0.0° |
| H91C | C9 | C8 | H8 | 5.0° | 27.0° |
| H92C | C9 | C8 | H8 | 116.5° | 149.2° |
| H71C | C7 | C8 | H8 | 115.9° | 149.2° |
| H72C | C7 | C8 | H8 | 5.1° | 27.1° |
| H8 | C8 | N10 | H101 | 56.6° | 56.4° |
| H8 | C8 | N10 | H102 | 176.6° | 179.6° |
