V0E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C10 | doub | 1.30Å | 1.28Å | |
| N3 | C11 | sing | 1.36Å | 1.39Å | |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | N2 | sing | 1.36Å | 1.38Å | |
| C11 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C9 | sing | 1.46Å | 1.48Å | |
| N2 | C17 | sing | 1.35Å | 1.39Å | |
| C18 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.47Å | 1.45Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | CL1 | sing | 1.74Å | 1.74Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | O3 | doub | 1.22Å | 1.22Å | |
| C6 | O1 | sing | 1.36Å | 1.36Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C7 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | O2 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N1 | trip | 1.14Å | 1.15Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N3 | C11 | 116.9° | 121.6° |
| N3 | C10 | N2 | 125.7° | 123.4° |
| N3 | C10 | H11 | 117.2° | 118.3° |
| N3 | C11 | C12 | 118.9° | 121.7° |
| N3 | C11 | C16 | 122.2° | 119.0° |
| C11 | C12 | C13 | 120.6° | 119.7° |
| C12 | C11 | C16 | 118.8° | 119.4° |
| C11 | C12 | H12 | 119.7° | 120.1° |
| C12 | C13 | C14 | 119.6° | 120.8° |
| C13 | C12 | H12 | 119.7° | 120.2° |
| C12 | C13 | H13 | 120.2° | 119.6° |
| C10 | N2 | C9 | 120.7° | 119.7° |
| C10 | N2 | C17 | 121.2° | 120.6° |
| N2 | C10 | H11 | 117.2° | 118.3° |
| C11 | C16 | C17 | 118.7° | 118.0° |
| C11 | C16 | C15 | 120.0° | 120.1° |
| C13 | C14 | C15 | 122.0° | 120.5° |
| C13 | C14 | CL1 | 118.6° | 119.8° |
| C14 | C13 | H13 | 120.2° | 119.6° |
| C18 | C19 | C3 | 121.8° | 120.1° |
| C19 | C18 | C6 | 119.1° | 119.9° |
| C18 | C19 | H16 | 119.1° | 120.0° |
| C19 | C18 | H15 | 120.5° | 120.1° |
| C19 | C3 | C2 | 121.1° | 120.0° |
| C19 | C3 | C4 | 118.1° | 120.1° |
| C3 | C19 | H16 | 119.1° | 119.9° |
| C9 | N2 | C17 | 118.0° | 119.7° |
| N2 | C9 | C8 | 114.2° | 109.5° |
| N2 | C9 | H10 | 108.3° | 109.5° |
| N2 | C9 | H9 | 108.3° | 109.4° |
| N2 | C17 | C16 | 115.3° | 117.4° |
| N2 | C17 | O3 | 120.8° | 121.3° |
| C18 | C6 | O1 | 124.3° | 120.0° |
| C18 | C6 | C5 | 119.9° | 120.0° |
| C6 | C18 | H15 | 120.5° | 120.1° |
| C3 | C2 | C1 | 114.5° | 109.5° |
| C2 | C3 | C4 | 120.8° | 119.9° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C3 | C2 | H1 | 108.2° | 109.5° |
| C2 | C1 | N1 | 172.4° | 180.0° |
| C1 | C2 | H2 | 108.2° | 109.5° |
| C1 | C2 | H1 | 108.2° | 109.4° |
| C17 | C16 | C15 | 121.3° | 121.9° |
| C16 | C17 | O3 | 123.9° | 121.3° |
| C16 | C15 | C14 | 119.0° | 119.5° |
| C16 | C15 | H14 | 120.5° | 120.3° |
| C15 | C14 | CL1 | 119.4° | 119.7° |
| C14 | C15 | H14 | 120.5° | 120.2° |
| C9 | C8 | C7 | 116.4° | 109.5° |
| C9 | C8 | O2 | 107.4° | 109.5° |
| C8 | C9 | H10 | 108.3° | 109.5° |
| C8 | C9 | H9 | 108.3° | 109.4° |
| C9 | C8 | H7 | 106.9° | 109.5° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| C3 | C4 | H3 | 119.5° | 120.0° |
| O1 | C6 | C5 | 115.5° | 120.0° |
| C6 | O1 | C7 | 121.9° | 117.0° |
| C6 | C5 | C4 | 120.1° | 119.9° |
| C6 | C5 | H4 | 120.0° | 120.1° |
| O1 | C7 | C8 | 104.0° | 109.5° |
| O1 | C7 | H5 | 110.8° | 109.4° |
| O1 | C7 | H6 | 110.8° | 109.5° |
| C7 | C8 | O2 | 110.9° | 109.5° |
| C8 | C7 | H5 | 110.8° | 109.5° |
| C8 | C7 | H6 | 110.8° | 109.5° |
| C7 | C8 | H7 | 106.9° | 109.5° |
| O2 | C8 | H7 | 108.0° | 109.5° |
| C8 | O2 | H8 | 109.5° | 114.0° |
| C5 | C4 | H3 | 119.5° | 120.0° |
| C4 | C5 | H4 | 120.0° | 120.0° |
| H2 | C2 | H1 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H10 | C9 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N3 | C11 | C12 | 179.9° | 179.7° |
| N3 | C10 | N2 | H11 | 180.0° | 179.7° |
| C10 | N3 | C11 | C16 | 0.5° | 0.0° |
| N3 | C10 | N2 | C9 | 178.3° | 179.7° |
| N3 | C10 | N2 | C17 | 1.3° | 0.9° |
| N3 | C11 | C12 | C16 | 179.7° | 179.6° |
| N3 | C11 | C12 | C13 | 179.2° | 179.7° |
| C11 | N3 | C10 | N2 | 1.1° | 0.6° |
| N3 | C11 | C16 | C17 | 0.2° | 0.3° |
| N3 | C11 | C16 | C15 | 179.3° | 179.7° |
| N3 | C11 | C12 | H12 | 0.8° | 0.4° |
| C11 | N3 | C10 | H11 | 178.9° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C17 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C13 | C12 | C11 | C16 | 0.4° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C12 | C13 | C14 | CL1 | 179.7° | 180.0° |
| C10 | N2 | C9 | C17 | 177.0° | 179.4° |
| C10 | N2 | C17 | C16 | 0.9° | 0.6° |
| C10 | N2 | C9 | C8 | 76.7° | 89.4° |
| C10 | N2 | C17 | O3 | 179.4° | 179.5° |
| C10 | N2 | C9 | H10 | 162.6° | 150.5° |
| C10 | N2 | C9 | H9 | 44.0° | 30.5° |
| C11 | C16 | C17 | N2 | 0.4° | 0.0° |
| C11 | C16 | C17 | C15 | 179.5° | 180.0° |
| C11 | C16 | C15 | C14 | 0.0° | 0.0° |
| C11 | C16 | C17 | O3 | 179.9° | 179.9° |
| C16 | C11 | C12 | H12 | 179.6° | 180.0° |
| C11 | C16 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.1° |
| C13 | C14 | C15 | CL1 | 179.4° | 179.9° |
| C14 | C13 | C12 | H12 | 179.9° | 179.9° |
| C13 | C14 | C15 | H14 | 179.7° | 180.0° |
| C18 | C19 | C3 | H16 | 180.0° | 180.0° |
| C19 | C18 | C6 | H15 | 180.0° | 180.0° |
| C18 | C19 | C3 | C2 | 178.8° | 180.0° |
| C18 | C19 | C3 | C4 | 0.5° | 0.3° |
| C19 | C18 | C6 | O1 | 176.6° | 180.0° |
| C19 | C18 | C6 | C5 | 2.8° | 0.3° |
| C3 | C19 | C18 | C6 | 1.2° | 0.0° |
| C19 | C3 | C2 | C4 | 178.3° | 179.6° |
| C19 | C3 | C2 | C1 | 123.4° | 90.3° |
| C19 | C3 | C4 | C5 | 0.7° | 0.4° |
| C19 | C3 | C2 | H2 | 115.8° | 149.7° |
| C19 | C3 | C2 | H1 | 2.7° | 29.7° |
| C19 | C3 | C4 | H3 | 179.3° | 179.7° |
| C3 | C19 | C18 | H15 | 178.7° | 180.0° |
| C9 | N2 | C17 | C16 | 177.9° | 180.0° |
| N2 | C9 | C8 | H10 | 120.7° | 120.1° |
| N2 | C9 | C8 | H9 | 120.7° | 119.9° |
| C9 | N2 | C17 | O3 | 2.4° | 0.1° |
| N2 | C9 | C8 | C7 | 3.4° | 180.0° |
| N2 | C9 | C8 | O2 | 128.4° | 60.0° |
| N2 | C9 | H10 | H9 | 117.8° | 120.0° |
| N2 | C9 | C8 | H7 | 115.9° | 60.0° |
| C9 | N2 | C10 | H11 | 1.7° | 0.0° |
| N2 | C17 | C16 | O3 | 179.7° | 179.9° |
| N2 | C17 | C16 | C15 | 179.1° | 180.0° |
| C17 | N2 | C9 | C8 | 106.3° | 90.0° |
| C17 | N2 | C9 | H10 | 14.4° | 30.1° |
| C17 | N2 | C9 | H9 | 133.0° | 150.1° |
| C17 | N2 | C10 | H11 | 178.7° | 179.4° |
| C18 | C6 | O1 | C5 | 174.0° | 179.7° |
| C18 | C6 | O1 | C7 | 51.1° | 0.3° |
| C18 | C6 | C5 | C4 | 2.6° | 0.2° |
| C18 | C6 | C5 | H4 | 177.4° | 179.7° |
| C6 | C18 | C19 | H16 | 178.7° | 180.0° |
| C3 | C2 | C1 | H2 | 120.7° | 120.1° |
| C3 | C2 | C1 | H1 | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 179.1° | 180.0° |
| C3 | C2 | C1 | N1 | 153.2° | 10.3° |
| C3 | C2 | H2 | H1 | 117.7° | 120.0° |
| C2 | C3 | C4 | H3 | 0.9° | 0.1° |
| C2 | C3 | C19 | H16 | 1.2° | 0.0° |
| C1 | C2 | C3 | C4 | 58.3° | 90.1° |
| C1 | C2 | H2 | H1 | 117.7° | 119.9° |
| C17 | C16 | C15 | C14 | 179.5° | 180.0° |
| C17 | C16 | C15 | H14 | 0.5° | 0.0° |
| C16 | C15 | C14 | H14 | 180.0° | 179.9° |
| C16 | C15 | C14 | CL1 | 179.7° | 180.0° |
| C15 | C16 | C17 | O3 | 0.6° | 0.1° |
| C15 | C14 | C13 | H13 | 179.7° | 180.0° |
| CL1 | C14 | C13 | H13 | 0.3° | 0.1° |
| CL1 | C14 | C15 | H14 | 0.3° | 0.0° |
| C9 | C8 | C7 | O1 | 133.4° | 175.0° |
| C9 | C8 | C7 | O2 | 123.2° | 120.0° |
| C9 | C8 | C7 | H7 | 119.3° | 120.0° |
| C9 | C8 | O2 | H7 | 115.0° | 120.0° |
| C9 | C8 | C7 | H5 | 107.5° | 65.0° |
| C9 | C8 | C7 | H6 | 14.3° | 55.0° |
| C8 | C9 | H10 | H9 | 117.9° | 120.0° |
| C9 | C8 | O2 | H8 | 180.0° | 60.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.1° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 62.4° | 30.0° |
| C4 | C3 | C2 | H1 | 179.0° | 150.0° |
| C3 | C4 | C5 | H4 | 179.2° | 179.9° |
| C4 | C3 | C19 | H16 | 179.5° | 179.7° |
| C6 | O1 | C7 | C8 | 161.9° | 180.0° |
| O1 | C6 | C5 | C4 | 176.9° | 179.9° |
| O1 | C6 | C5 | H4 | 3.1° | 0.0° |
| C6 | O1 | C7 | H5 | 78.9° | 60.0° |
| C6 | O1 | C7 | H6 | 42.8° | 59.9° |
| O1 | C6 | C18 | H15 | 3.4° | 0.0° |
| C5 | C6 | O1 | C7 | 134.9° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | H3 | 179.2° | 180.0° |
| C5 | C6 | C18 | H15 | 177.2° | 179.7° |
| O1 | C7 | C8 | H5 | 119.1° | 120.0° |
| O1 | C7 | C8 | H6 | 119.1° | 120.1° |
| O1 | C7 | C8 | O2 | 103.4° | 65.0° |
| O1 | C7 | H5 | H6 | 122.5° | 120.0° |
| O1 | C7 | C8 | H7 | 14.1° | 55.0° |
| C7 | C8 | O2 | H7 | 116.8° | 120.0° |
| C8 | C7 | H5 | H6 | 122.5° | 120.0° |
| C7 | C8 | C9 | H10 | 117.3° | 60.0° |
| C7 | C8 | C9 | H9 | 124.1° | 60.0° |
| C7 | C8 | O2 | H8 | 51.8° | 60.0° |
| O2 | C8 | C7 | H5 | 15.7° | 55.0° |
| O2 | C8 | C7 | H6 | 137.5° | 175.0° |
| O2 | C8 | C9 | H10 | 7.7° | 60.0° |
| O2 | C8 | C9 | H9 | 110.9° | 179.9° |
| N1 | C1 | C2 | H2 | 86.1° | 109.7° |
| N1 | C1 | C2 | H1 | 32.4° | 130.3° |
| H3 | C4 | C5 | H4 | 0.8° | 0.1° |
| H5 | C7 | C8 | H7 | 133.2° | 175.0° |
| H6 | C7 | C8 | H7 | 105.1° | 65.0° |
| H10 | C9 | C8 | H7 | 123.4° | 180.0° |
| H9 | C9 | C8 | H7 | 4.8° | 59.9° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| H16 | C19 | C18 | H15 | 1.3° | 0.0° |
| H7 | C8 | O2 | H8 | 65.0° | 180.0° |
