X0H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | C15 | doub | 1.37Å | 1.41Å | Aromatic |
| C11 | N10 | sing | 1.38Å | 1.52Å | |
| C11 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| N10 | C08 | sing | 1.34Å | 1.46Å | |
| C16 | C06 | sing | 1.46Å | 1.54Å | |
| O04 | C03 | doub | 1.21Å | 1.20Å | |
| C08 | O09 | doub | 1.22Å | 1.22Å | |
| C08 | C07 | sing | 1.41Å | 1.48Å | |
| C01 | O02 | sing | 1.45Å | 1.39Å | |
| C06 | C07 | doub | 1.36Å | 1.47Å | |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| C03 | C05 | sing | 1.51Å | 1.54Å | |
| C03 | O02 | sing | 1.34Å | 1.40Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | H9 | sing | 0.97Å | 1.00Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 117.3° | 120.7° |
| C13 | C12 | C11 | 121.0° | 119.8° |
| C12 | C13 | H1 | 121.3° | 119.7° |
| C13 | C12 | H10 | 119.5° | 120.1° |
| C13 | C14 | C15 | 121.9° | 120.5° |
| C14 | C13 | H1 | 121.3° | 119.6° |
| C13 | C14 | H11 | 119.1° | 119.8° |
| C12 | C11 | N10 | 119.9° | 121.0° |
| C12 | C11 | C16 | 121.1° | 119.4° |
| C11 | C12 | H10 | 119.5° | 120.1° |
| C14 | C15 | C16 | 120.6° | 119.7° |
| C14 | C15 | H2 | 119.7° | 120.1° |
| C15 | C14 | H11 | 119.0° | 119.7° |
| N10 | C11 | C16 | 119.0° | 119.6° |
| C11 | N10 | C08 | 124.7° | 121.0° |
| C11 | N10 | H9 | 117.7° | 119.6° |
| C11 | C16 | C15 | 118.0° | 119.9° |
| C11 | C16 | C06 | 119.1° | 119.0° |
| C15 | C16 | C06 | 123.0° | 121.1° |
| C16 | C15 | H2 | 119.7° | 120.1° |
| N10 | C08 | O09 | 122.4° | 119.2° |
| N10 | C08 | C07 | 115.4° | 121.6° |
| C08 | N10 | H9 | 117.7° | 119.5° |
| C16 | C06 | C07 | 120.3° | 118.5° |
| C16 | C06 | C05 | 121.6° | 120.8° |
| O04 | C03 | C05 | 121.8° | 120.0° |
| O04 | C03 | O02 | 120.5° | 120.0° |
| O09 | C08 | C07 | 122.2° | 119.1° |
| C08 | C07 | C06 | 121.6° | 120.2° |
| C08 | C07 | H8 | 119.2° | 119.9° |
| C01 | O02 | C03 | 114.2° | 117.0° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| C07 | C06 | C05 | 118.1° | 120.7° |
| C06 | C07 | H8 | 119.2° | 119.8° |
| C06 | C05 | C03 | 110.8° | 109.5° |
| C06 | C05 | H6 | 109.2° | 109.5° |
| C06 | C05 | H7 | 109.1° | 109.5° |
| C05 | C03 | O02 | 117.7° | 120.0° |
| C03 | C05 | H6 | 109.1° | 109.5° |
| C03 | C05 | H7 | 109.1° | 109.5° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.4° | 0.1° |
| C13 | C12 | C11 | N10 | 178.5° | 180.0° |
| C13 | C12 | C11 | C16 | 0.7° | 0.0° |
| C12 | C13 | C14 | H11 | 179.6° | 180.0° |
| C14 | C13 | C12 | C11 | 1.1° | 0.1° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.0° |
| C13 | C14 | C15 | H2 | 179.3° | 179.9° |
| C14 | C13 | C12 | H10 | 178.9° | 180.0° |
| C12 | C11 | N10 | C16 | 179.2° | 179.9° |
| C12 | C11 | C16 | C15 | 0.4° | 0.0° |
| C12 | C11 | N10 | C08 | 179.5° | 180.0° |
| C12 | C11 | C16 | C06 | 179.9° | 180.0° |
| C11 | C12 | C13 | H1 | 178.9° | 179.7° |
| C12 | C11 | N10 | H9 | 0.5° | 0.0° |
| C14 | C15 | C16 | C11 | 1.0° | 0.0° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | C06 | 179.3° | 180.0° |
| C15 | C14 | C13 | H1 | 179.6° | 179.7° |
| N10 | C11 | C16 | C15 | 179.6° | 179.9° |
| C11 | N10 | C08 | H9 | 180.0° | 179.9° |
| N10 | C11 | C16 | C06 | 0.8° | 0.0° |
| C11 | N10 | C08 | O09 | 179.1° | 179.9° |
| C11 | N10 | C08 | C07 | 0.1° | 0.1° |
| N10 | C11 | C12 | H10 | 1.5° | 0.1° |
| C11 | C16 | C15 | C06 | 179.6° | 180.0° |
| C16 | C11 | N10 | C08 | 0.3° | 0.1° |
| C11 | C16 | C06 | C07 | 1.1° | 0.0° |
| C11 | C16 | C06 | C05 | 179.7° | 180.0° |
| C11 | C16 | C15 | H2 | 178.9° | 180.0° |
| C16 | C11 | N10 | H9 | 179.7° | 180.0° |
| C16 | C11 | C12 | H10 | 179.3° | 180.0° |
| C15 | C16 | C06 | C07 | 179.3° | 180.0° |
| C15 | C16 | C06 | C05 | 0.7° | 0.0° |
| C16 | C15 | C14 | H11 | 179.3° | 180.0° |
| N10 | C08 | O09 | C07 | 179.1° | 179.9° |
| N10 | C08 | C07 | C06 | 0.4° | 0.0° |
| N10 | C08 | C07 | H8 | 179.6° | 179.9° |
| C16 | C06 | C07 | C08 | 0.9° | 0.0° |
| C16 | C06 | C07 | C05 | 178.6° | 180.0° |
| C16 | C06 | C05 | C03 | 78.3° | 85.0° |
| C06 | C16 | C15 | H2 | 0.7° | 0.1° |
| C16 | C06 | C05 | H6 | 41.9° | 155.0° |
| C16 | C06 | C05 | H7 | 161.5° | 35.0° |
| C16 | C06 | C07 | H8 | 179.1° | 180.0° |
| O04 | C03 | O02 | C01 | 42.4° | 0.0° |
| O04 | C03 | C05 | C06 | 6.0° | 0.0° |
| O04 | C03 | C05 | O02 | 179.6° | 180.0° |
| O04 | C03 | C05 | H6 | 126.2° | 120.0° |
| O04 | C03 | C05 | H7 | 114.2° | 120.1° |
| O09 | C08 | C07 | C06 | 178.7° | 180.0° |
| O09 | C08 | C07 | H8 | 1.3° | 0.0° |
| O09 | C08 | N10 | H9 | 0.9° | 0.0° |
| C08 | C07 | C06 | H8 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 179.5° | 180.0° |
| C07 | C08 | N10 | H9 | 179.9° | 180.0° |
| C01 | O02 | C03 | C05 | 137.2° | 180.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C07 | C06 | C05 | C03 | 100.3° | 95.0° |
| C07 | C06 | C05 | H6 | 139.5° | 25.0° |
| C07 | C06 | C05 | H7 | 19.9° | 145.0° |
| C06 | C05 | C03 | H6 | 120.2° | 120.0° |
| C06 | C05 | C03 | H7 | 120.2° | 120.1° |
| C06 | C05 | C03 | O02 | 173.6° | 180.0° |
| C06 | C05 | H6 | H7 | 119.4° | 120.0° |
| C05 | C06 | C07 | H8 | 0.5° | 0.0° |
| C03 | C05 | H6 | H7 | 119.4° | 120.0° |
| C03 | O02 | C01 | H3 | 180.0° | 180.0° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| C03 | O02 | C01 | H5 | 60.0° | 60.0° |
| O02 | C03 | C05 | H6 | 53.4° | 60.0° |
| O02 | C03 | C05 | H7 | 66.2° | 60.0° |
| H1 | C13 | C12 | H10 | 1.1° | 0.2° |
| H1 | C13 | C14 | H11 | 0.4° | 0.3° |
| H2 | C15 | C14 | H11 | 0.7° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
