VMN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.37Å | |
| C1 | C6 | sing | 1.41Å | 1.44Å | |
| C1 | O7 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.40Å | 1.47Å | |
| C3 | N4 | sing | 1.35Å | 1.43Å | |
| C3 | O8 | doub | 1.22Å | 1.29Å | |
| N4 | C5 | sing | 1.36Å | 1.37Å | |
| N4 | C9 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | CL16 | sing | 1.74Å | 1.71Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| O7 | H4 | sing | 0.97Å | 0.95Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.3° | 119.0° |
| C2 | C1 | O7 | 119.2° | 120.5° |
| C1 | C2 | C3 | 118.6° | 119.1° |
| C1 | C2 | H1 | 120.7° | 120.4° |
| C6 | C1 | O7 | 119.5° | 120.5° |
| C1 | C6 | C5 | 119.5° | 119.8° |
| C1 | C6 | H3 | 120.2° | 120.1° |
| C1 | O7 | H4 | 109.5° | 114.0° |
| C2 | C3 | N4 | 117.3° | 120.1° |
| C2 | C3 | O8 | 125.4° | 119.9° |
| C3 | C2 | H1 | 120.7° | 120.5° |
| N4 | C3 | O8 | 117.3° | 120.0° |
| C3 | N4 | C5 | 121.3° | 121.1° |
| C3 | N4 | C9 | 121.0° | 119.4° |
| C5 | N4 | C9 | 117.7° | 119.5° |
| N4 | C5 | C6 | 121.6° | 120.9° |
| N4 | C5 | H2 | 119.2° | 119.6° |
| N4 | C9 | C10 | 110.3° | 109.5° |
| N4 | C9 | H5 | 109.2° | 109.4° |
| N4 | C9 | H6 | 109.2° | 109.5° |
| C6 | C5 | H2 | 119.2° | 119.5° |
| C5 | C6 | H3 | 120.2° | 120.1° |
| C9 | C10 | C11 | 118.2° | 120.0° |
| C9 | C10 | C15 | 122.1° | 119.9° |
| C10 | C9 | H5 | 109.3° | 109.5° |
| C10 | C9 | H6 | 109.3° | 109.5° |
| C11 | C10 | C15 | 119.7° | 120.1° |
| C10 | C11 | C12 | 121.6° | 120.0° |
| C10 | C11 | H7 | 119.2° | 120.0° |
| C10 | C15 | C14 | 120.4° | 120.0° |
| C10 | C15 | H10 | 119.8° | 120.0° |
| C11 | C12 | C13 | 118.5° | 120.0° |
| C12 | C11 | H7 | 119.2° | 120.0° |
| C11 | C12 | H8 | 120.7° | 120.0° |
| C12 | C13 | C14 | 120.9° | 120.0° |
| C12 | C13 | CL16 | 120.5° | 120.0° |
| C13 | C12 | H8 | 120.8° | 120.0° |
| C14 | C13 | CL16 | 118.6° | 120.0° |
| C13 | C14 | C15 | 118.7° | 120.0° |
| C13 | C14 | H9 | 120.6° | 120.0° |
| C15 | C14 | H9 | 120.6° | 120.0° |
| C14 | C15 | H10 | 119.8° | 120.0° |
| H5 | C9 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 179.8° | 179.7° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | N4 | 2.4° | 0.0° |
| C1 | C2 | C3 | O8 | 179.3° | 179.9° |
| C2 | C1 | C6 | C5 | 3.6° | 0.1° |
| C2 | C1 | C6 | H3 | 176.4° | 179.9° |
| C2 | C1 | O7 | H4 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 2.8° | 0.0° |
| C1 | C6 | C5 | N4 | 1.2° | 0.1° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C1 | C2 | H1 | 177.2° | 180.0° |
| C1 | C6 | C5 | H2 | 178.8° | 179.9° |
| C6 | C1 | O7 | H4 | 0.3° | 0.3° |
| O7 | C1 | C2 | C3 | 177.0° | 179.7° |
| O7 | C1 | C6 | C5 | 176.2° | 179.8° |
| O7 | C1 | C2 | H1 | 3.1° | 0.3° |
| O7 | C1 | C6 | H3 | 3.8° | 0.2° |
| C2 | C3 | N4 | O8 | 177.2° | 180.0° |
| C2 | C3 | N4 | C5 | 7.1° | 0.0° |
| C2 | C3 | N4 | C9 | 170.4° | 180.0° |
| C3 | N4 | C5 | C9 | 177.6° | 180.0° |
| C3 | N4 | C5 | C6 | 6.7° | 0.1° |
| C3 | N4 | C9 | C10 | 112.5° | 90.0° |
| N4 | C3 | C2 | H1 | 177.7° | 180.0° |
| C3 | N4 | C5 | H2 | 173.3° | 179.9° |
| C3 | N4 | C9 | H5 | 127.4° | 150.0° |
| C3 | N4 | C9 | H6 | 7.7° | 30.0° |
| O8 | C3 | N4 | C5 | 175.7° | 179.9° |
| O8 | C3 | N4 | C9 | 6.7° | 0.0° |
| O8 | C3 | C2 | H1 | 0.7° | 0.0° |
| N4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | N4 | C9 | C10 | 65.2° | 90.0° |
| N4 | C5 | C6 | H3 | 178.8° | 179.9° |
| C5 | N4 | C9 | H5 | 55.0° | 30.0° |
| C5 | N4 | C9 | H6 | 174.7° | 150.0° |
| C9 | N4 | C5 | C6 | 171.0° | 180.0° |
| N4 | C9 | C10 | H5 | 120.1° | 120.0° |
| N4 | C9 | C10 | H6 | 120.1° | 120.0° |
| N4 | C9 | C10 | C11 | 139.1° | 90.0° |
| N4 | C9 | C10 | C15 | 40.7° | 90.3° |
| C9 | N4 | C5 | H2 | 9.0° | 0.0° |
| N4 | C9 | H5 | H6 | 119.6° | 120.0° |
| C9 | C10 | C11 | C15 | 179.8° | 179.7° |
| C9 | C10 | C11 | C12 | 179.6° | 180.0° |
| C9 | C10 | C15 | C14 | 178.5° | 179.7° |
| C10 | C9 | H5 | H6 | 119.7° | 120.0° |
| C9 | C10 | C11 | H7 | 0.4° | 0.0° |
| C9 | C10 | C15 | H10 | 1.5° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.5° | 0.0° |
| C11 | C10 | C15 | C14 | 1.3° | 0.5° |
| C11 | C10 | C9 | H5 | 19.0° | 30.0° |
| C11 | C10 | C9 | H6 | 100.8° | 150.0° |
| C10 | C11 | C12 | H8 | 178.5° | 180.0° |
| C11 | C10 | C15 | H10 | 178.7° | 179.7° |
| C15 | C10 | C11 | C12 | 0.5° | 0.2° |
| C10 | C15 | C14 | C13 | 2.1° | 0.5° |
| C10 | C15 | C14 | H10 | 180.0° | 179.7° |
| C15 | C10 | C9 | H5 | 160.8° | 149.7° |
| C15 | C10 | C9 | H6 | 79.4° | 29.7° |
| C15 | C10 | C11 | H7 | 179.4° | 179.7° |
| C10 | C15 | C14 | H9 | 177.9° | 179.7° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C11 | C12 | C13 | CL16 | 178.7° | 180.0° |
| C12 | C13 | C14 | CL16 | 178.1° | 180.0° |
| C12 | C13 | C14 | C15 | 1.1° | 0.2° |
| C13 | C12 | C11 | H7 | 178.5° | 180.0° |
| C12 | C13 | C14 | H9 | 178.9° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 179.7° |
| C14 | C13 | C12 | H8 | 179.4° | 180.0° |
| C13 | C14 | C15 | H10 | 177.9° | 179.7° |
| CL16 | C13 | C14 | C15 | 177.0° | 179.7° |
| CL16 | C13 | C12 | H8 | 1.3° | 0.0° |
| CL16 | C13 | C14 | H9 | 3.0° | 0.0° |
| H2 | C5 | C6 | H3 | 1.2° | 0.1° |
| H7 | C11 | C12 | H8 | 1.5° | 0.0° |
| H9 | C14 | C15 | H10 | 2.1° | 0.0° |
