VRH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | N | sing | 1.42Å | 1.35Å | |
| O3 | C10 | sing | 1.43Å | 1.40Å | |
| N | C9 | sing | 1.35Å | 1.41Å | |
| C7 | O | sing | 1.43Å | 1.31Å | |
| C9 | O2 | doub | 1.21Å | 1.20Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | O1 | sing | 1.43Å | 1.41Å | |
| O | C5 | sing | 1.36Å | 1.35Å | |
| C6 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.35Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C1 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| O1 | C4 | sing | 1.36Å | 1.33Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | O3 | C10 | 114.1° | 114.0° |
| O3 | N | C9 | 113.4° | 120.0° |
| O3 | N | H9 | 123.3° | 120.0° |
| O3 | C10 | H10 | 109.5° | 109.5° |
| O3 | C10 | H11 | 109.5° | 109.5° |
| O3 | C10 | H12 | 109.5° | 109.5° |
| N | C9 | O2 | 121.7° | 120.0° |
| N | C9 | C8 | 112.2° | 120.0° |
| C9 | N | H9 | 123.3° | 120.0° |
| C7 | O | C5 | 111.0° | 117.0° |
| O | C7 | H1 | 109.5° | 109.5° |
| O | C7 | H2 | 109.5° | 109.5° |
| O | C7 | H3 | 109.5° | 109.5° |
| O2 | C9 | C8 | 126.1° | 120.0° |
| C9 | C8 | O1 | 116.0° | 109.5° |
| C9 | C8 | H4 | 107.8° | 109.5° |
| C9 | C8 | H5 | 107.8° | 109.5° |
| C8 | O1 | C4 | 107.9° | 117.0° |
| O1 | C8 | H4 | 107.8° | 109.5° |
| O1 | C8 | H5 | 107.8° | 109.5° |
| O | C5 | C6 | 119.9° | 120.1° |
| O | C5 | C4 | 119.1° | 120.1° |
| C5 | C6 | C1 | 118.9° | 120.0° |
| C6 | C5 | C4 | 120.3° | 119.9° |
| C5 | C6 | H6 | 120.5° | 120.0° |
| C6 | C1 | C | 118.9° | 119.9° |
| C6 | C1 | C2 | 120.9° | 120.1° |
| C1 | C6 | H6 | 120.6° | 120.0° |
| C5 | C4 | O1 | 115.8° | 120.1° |
| C5 | C4 | C3 | 120.3° | 119.9° |
| C | C1 | C2 | 120.2° | 119.9° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C2 | C3 | 119.7° | 120.1° |
| C1 | C2 | H8 | 120.2° | 120.0° |
| O1 | C4 | C3 | 123.5° | 120.0° |
| C4 | C3 | C2 | 119.6° | 120.0° |
| C4 | C3 | H7 | 120.2° | 120.0° |
| C2 | C3 | H7 | 120.2° | 120.0° |
| C3 | C2 | H8 | 120.2° | 119.9° |
| H1 | C7 | H2 | 109.4° | 109.4° |
| H1 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.4° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.4° | 109.5° |
| H14 | C | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | N | C9 | H9 | 180.0° | 180.0° |
| O3 | N | C9 | O2 | 147.0° | 0.0° |
| O3 | N | C9 | C8 | 32.5° | 180.0° |
| N | O3 | C10 | H10 | 180.0° | 179.9° |
| N | O3 | C10 | H11 | 60.0° | 60.0° |
| N | O3 | C10 | H12 | 60.0° | 60.0° |
| C10 | O3 | N | C9 | 69.3° | 180.0° |
| C10 | O3 | N | H9 | 110.6° | 0.0° |
| O3 | C10 | H10 | H11 | 120.0° | 120.0° |
| O3 | C10 | H10 | H12 | 120.0° | 120.1° |
| O3 | C10 | H11 | H12 | 120.0° | 120.0° |
| N | C9 | O2 | C8 | 179.5° | 180.0° |
| N | C9 | C8 | O1 | 174.4° | 180.0° |
| N | C9 | C8 | H4 | 64.6° | 60.0° |
| N | C9 | C8 | H5 | 53.5° | 60.0° |
| C7 | O | C5 | C6 | 60.1° | 0.0° |
| C7 | O | C5 | C4 | 129.4° | 180.0° |
| O | C7 | H1 | H2 | 120.0° | 120.0° |
| O | C7 | H1 | H3 | 120.0° | 120.0° |
| O | C7 | H2 | H3 | 120.0° | 120.0° |
| O2 | C9 | C8 | O1 | 5.1° | 0.0° |
| O2 | C9 | C8 | H4 | 115.8° | 120.0° |
| O2 | C9 | C8 | H5 | 126.1° | 120.0° |
| O2 | C9 | N | H9 | 32.9° | 180.0° |
| C9 | C8 | O1 | H4 | 121.0° | 120.0° |
| C9 | C8 | O1 | H5 | 120.9° | 120.0° |
| C9 | C8 | O1 | C4 | 136.4° | 180.0° |
| C9 | C8 | H4 | H5 | 117.0° | 119.9° |
| C8 | C9 | N | H9 | 147.5° | 0.0° |
| C8 | O1 | C4 | C5 | 55.4° | 180.0° |
| C8 | O1 | C4 | C3 | 117.3° | 0.0° |
| O1 | C8 | H4 | H5 | 117.0° | 120.0° |
| O | C5 | C6 | C4 | 170.4° | 180.0° |
| O | C5 | C6 | C1 | 164.7° | 180.0° |
| O | C5 | C4 | O1 | 23.0° | 0.0° |
| O | C5 | C4 | C3 | 164.0° | 180.0° |
| C5 | O | C7 | H1 | 180.0° | 180.0° |
| C5 | O | C7 | H2 | 60.0° | 60.1° |
| C5 | O | C7 | H3 | 60.0° | 60.0° |
| O | C5 | C6 | H6 | 15.3° | 0.0° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 177.3° | 179.7° |
| C5 | C6 | C1 | C2 | 1.5° | 0.0° |
| C6 | C5 | C4 | O1 | 166.5° | 180.0° |
| C6 | C5 | C4 | C3 | 6.5° | 0.0° |
| C1 | C6 | C5 | C4 | 5.7° | 0.0° |
| C6 | C1 | C | C2 | 178.8° | 179.7° |
| C6 | C1 | C2 | C3 | 1.8° | 0.0° |
| C6 | C1 | C2 | H8 | 178.2° | 180.0° |
| C6 | C1 | C | H13 | 90.6° | 89.7° |
| C6 | C1 | C | H14 | 149.4° | 30.3° |
| C6 | C1 | C | H15 | 29.4° | 150.3° |
| C5 | C4 | O1 | C3 | 172.8° | 180.0° |
| C5 | C4 | C3 | C2 | 3.1° | 0.0° |
| C4 | C5 | C6 | H6 | 174.3° | 180.0° |
| C5 | C4 | C3 | H7 | 177.0° | 179.9° |
| C | C1 | C2 | C3 | 179.4° | 179.7° |
| C | C1 | C6 | H6 | 2.7° | 0.3° |
| C | C1 | C2 | H8 | 0.6° | 0.3° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H8 | 180.0° | 180.0° |
| C2 | C1 | C6 | H6 | 178.5° | 180.0° |
| C1 | C2 | C3 | H7 | 178.9° | 179.9° |
| C2 | C1 | C | H13 | 90.6° | 90.0° |
| C2 | C1 | C | H14 | 29.4° | 150.0° |
| C2 | C1 | C | H15 | 149.4° | 30.0° |
| O1 | C4 | C3 | C2 | 169.4° | 180.0° |
| C4 | O1 | C8 | H4 | 15.5° | 60.0° |
| C4 | O1 | C8 | H5 | 102.6° | 60.0° |
| O1 | C4 | C3 | H7 | 10.6° | 0.0° |
| C4 | C3 | C2 | H7 | 180.0° | 179.9° |
| C4 | C3 | C2 | H8 | 178.9° | 180.0° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
| H7 | C3 | C2 | H8 | 1.1° | 0.1° |
| H10 | C10 | H11 | H12 | 120.0° | 119.9° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
