RVH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | C7 | sing | 1.37Å | 1.35Å | Aromatic |
| C7 | N3 | sing | 1.38Å | 1.37Å | |
| N3 | C8 | sing | 1.35Å | 1.36Å | |
| C8 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C18 | sing | 1.53Å | 1.53Å | |
| C9 | N4 | sing | 1.46Å | 1.45Å | |
| N4 | C13 | sing | 1.34Å | 1.35Å | |
| N4 | C10 | sing | 1.47Å | 1.46Å | |
| O1 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.48Å | 1.47Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C6 | C5 | 121.5° | 120.5° |
| C6 | C1 | C2 | 121.5° | 120.4° |
| C6 | C1 | H1 | 119.3° | 119.8° |
| C1 | C6 | H4 | 119.2° | 119.8° |
| C6 | C5 | C4 | 117.7° | 119.8° |
| C6 | C5 | H3 | 121.1° | 120.2° |
| C5 | C6 | H4 | 119.2° | 119.7° |
| C1 | C2 | C3 | 116.8° | 119.9° |
| C2 | C1 | H1 | 119.3° | 119.8° |
| C1 | C2 | H2 | 121.6° | 120.1° |
| C5 | C4 | C3 | 120.3° | 119.5° |
| C5 | C4 | N1 | 129.7° | 133.4° |
| C4 | C5 | H3 | 121.2° | 120.1° |
| C2 | C3 | C4 | 122.3° | 120.0° |
| C2 | C3 | N2 | 132.5° | 134.0° |
| C3 | C2 | H2 | 121.7° | 120.0° |
| C3 | C4 | N1 | 110.1° | 107.1° |
| C4 | C3 | N2 | 105.2° | 106.1° |
| C4 | N1 | C7 | 104.3° | 109.6° |
| C3 | N2 | C7 | 106.7° | 107.3° |
| C3 | N2 | H5 | 126.6° | 126.4° |
| N1 | C7 | N2 | 113.7° | 109.9° |
| N1 | C7 | N3 | 121.8° | 125.0° |
| N2 | C7 | N3 | 124.3° | 125.1° |
| C7 | N2 | H5 | 126.6° | 126.3° |
| C7 | N3 | C8 | 126.1° | 120.0° |
| C7 | N3 | H6 | 117.0° | 120.0° |
| N3 | C8 | O2 | 125.1° | 120.0° |
| N3 | C8 | C9 | 114.1° | 120.0° |
| C8 | N3 | H6 | 117.0° | 120.0° |
| O2 | C8 | C9 | 120.8° | 120.0° |
| C8 | C9 | C18 | 109.5° | 109.4° |
| C8 | C9 | N4 | 113.7° | 109.5° |
| C8 | C9 | H7 | 107.4° | 109.5° |
| C18 | C9 | N4 | 110.7° | 109.5° |
| C18 | C9 | H7 | 107.2° | 109.5° |
| C9 | C18 | H16 | 109.5° | 109.5° |
| C9 | C18 | H15 | 109.5° | 109.5° |
| C9 | C18 | H14 | 109.5° | 109.4° |
| C9 | N4 | C13 | 121.6° | 125.6° |
| C9 | N4 | C10 | 124.2° | 125.6° |
| N4 | C9 | H7 | 108.2° | 109.5° |
| C13 | N4 | C10 | 114.2° | 108.8° |
| N4 | C13 | O1 | 125.1° | 124.9° |
| N4 | C13 | C12 | 105.8° | 110.3° |
| N4 | C10 | C11 | 100.9° | 106.2° |
| N4 | C10 | H8 | 111.6° | 110.1° |
| N4 | C10 | H9 | 111.6° | 110.1° |
| O1 | C13 | C12 | 129.1° | 124.9° |
| C13 | C12 | C11 | 108.8° | 108.3° |
| C13 | C12 | C17 | 129.4° | 132.3° |
| C10 | C11 | C12 | 109.9° | 106.4° |
| C10 | C11 | C14 | 129.6° | 133.2° |
| C11 | C10 | H8 | 111.6° | 110.1° |
| C11 | C10 | H9 | 111.5° | 110.1° |
| C11 | C12 | C17 | 121.8° | 119.3° |
| C12 | C11 | C14 | 120.5° | 120.4° |
| C12 | C17 | C16 | 117.7° | 119.8° |
| C12 | C17 | H13 | 121.1° | 120.1° |
| C11 | C14 | C15 | 118.0° | 119.9° |
| C11 | C14 | H10 | 121.0° | 120.0° |
| C17 | C16 | C15 | 120.8° | 120.3° |
| C17 | C16 | H12 | 119.6° | 119.8° |
| C16 | C17 | H13 | 121.2° | 120.1° |
| C14 | C15 | C16 | 121.2° | 120.2° |
| C15 | C14 | H10 | 121.0° | 120.1° |
| C14 | C15 | H11 | 119.4° | 119.8° |
| C16 | C15 | H11 | 119.4° | 120.0° |
| C15 | C16 | H12 | 119.6° | 119.8° |
| H8 | C10 | H9 | 109.5° | 110.1° |
| H16 | C18 | H15 | 109.5° | 109.5° |
| H16 | C18 | H14 | 109.4° | 109.5° |
| H15 | C18 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C6 | C5 | H4 | 180.0° | 179.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C1 | C6 | C5 | C4 | 0.1° | 0.6° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C6 | C1 | C2 | H2 | 179.8° | 179.8° |
| C1 | C6 | C5 | H3 | 179.9° | 179.7° |
| C5 | C6 | C1 | C2 | 0.2° | 0.6° |
| C6 | C5 | C4 | H3 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | N1 | 179.8° | 179.7° |
| C5 | C6 | C1 | H1 | 179.8° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | N2 | 180.0° | 180.0° |
| C2 | C1 | C6 | H4 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | N1 | 179.8° | 180.0° |
| C5 | C4 | C3 | N2 | 179.9° | 180.0° |
| C5 | C4 | N1 | C7 | 178.8° | 180.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | N2 | 179.8° | 179.9° |
| C2 | C3 | C4 | N1 | 180.0° | 180.0° |
| C2 | C3 | N2 | C7 | 178.9° | 180.0° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C2 | C3 | N2 | H5 | 1.1° | 0.1° |
| C3 | C4 | N1 | C7 | 0.9° | 0.0° |
| C4 | C3 | N2 | C7 | 1.3° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 179.9° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C4 | C3 | N2 | H5 | 178.6° | 180.0° |
| N1 | C4 | C3 | N2 | 0.3° | 0.0° |
| C4 | N1 | C7 | N2 | 1.9° | 0.0° |
| C4 | N1 | C7 | N3 | 177.8° | 179.9° |
| N1 | C4 | C5 | H3 | 0.2° | 0.0° |
| C3 | N2 | C7 | N1 | 2.1° | 0.0° |
| C3 | N2 | C7 | H5 | 180.0° | 179.9° |
| C3 | N2 | C7 | N3 | 177.9° | 180.0° |
| N2 | C3 | C2 | H2 | 0.1° | 0.2° |
| N1 | C7 | N2 | N3 | 175.8° | 179.9° |
| N1 | C7 | N3 | C8 | 170.3° | 180.0° |
| N1 | C7 | N2 | H5 | 177.9° | 180.0° |
| N1 | C7 | N3 | H6 | 9.7° | 0.1° |
| N2 | C7 | N3 | C8 | 14.2° | 0.1° |
| N2 | C7 | N3 | H6 | 165.8° | 180.0° |
| C7 | N3 | C8 | H6 | 180.0° | 179.9° |
| C7 | N3 | C8 | O2 | 1.2° | 0.1° |
| C7 | N3 | C8 | C9 | 176.7° | 180.0° |
| N3 | C7 | N2 | H5 | 2.1° | 0.1° |
| N3 | C8 | O2 | C9 | 177.8° | 179.9° |
| N3 | C8 | C9 | C18 | 63.2° | 60.1° |
| N3 | C8 | C9 | N4 | 172.5° | 180.0° |
| N3 | C8 | C9 | H7 | 52.8° | 59.9° |
| O2 | C8 | C9 | C18 | 114.8° | 120.0° |
| O2 | C8 | C9 | N4 | 9.5° | 0.1° |
| O2 | C8 | C9 | H7 | 129.2° | 119.9° |
| O2 | C8 | N3 | H6 | 178.8° | 180.0° |
| C8 | C9 | C18 | N4 | 126.1° | 120.0° |
| C8 | C9 | C18 | H7 | 116.1° | 120.0° |
| C8 | C9 | N4 | H7 | 119.1° | 120.0° |
| C8 | C9 | N4 | C13 | 103.9° | 59.9° |
| C8 | C9 | N4 | C10 | 78.8° | 120.1° |
| C8 | C9 | C18 | H16 | 180.0° | 60.0° |
| C8 | C9 | C18 | H15 | 60.0° | 60.0° |
| C8 | C9 | C18 | H14 | 60.0° | 180.0° |
| C9 | C8 | N3 | H6 | 3.3° | 0.1° |
| C18 | C9 | N4 | H7 | 117.1° | 120.0° |
| C18 | C9 | N4 | C13 | 132.4° | 60.0° |
| C18 | C9 | N4 | C10 | 44.9° | 120.0° |
| C9 | C18 | H16 | H15 | 120.0° | 120.0° |
| C9 | C18 | H16 | H14 | 120.0° | 120.0° |
| C9 | C18 | H15 | H14 | 120.0° | 119.9° |
| C9 | N4 | C13 | C10 | 177.6° | 179.9° |
| C9 | N4 | C13 | O1 | 3.3° | 0.2° |
| C9 | N4 | C13 | C12 | 177.2° | 180.0° |
| C9 | N4 | C10 | C11 | 177.5° | 180.0° |
| C9 | N4 | C10 | H8 | 63.8° | 60.8° |
| C9 | N4 | C10 | H9 | 59.0° | 60.8° |
| N4 | C9 | C18 | H16 | 53.9° | 180.0° |
| N4 | C9 | C18 | H15 | 173.9° | 60.0° |
| N4 | C9 | C18 | H14 | 66.1° | 60.0° |
| N4 | C13 | O1 | C12 | 179.3° | 179.8° |
| C13 | N4 | C10 | C11 | 4.9° | 0.0° |
| N4 | C13 | C12 | C11 | 3.2° | 0.0° |
| N4 | C13 | C12 | C17 | 176.9° | 180.0° |
| C13 | N4 | C9 | H7 | 15.3° | 179.9° |
| C13 | N4 | C10 | H8 | 113.7° | 119.2° |
| C13 | N4 | C10 | H9 | 123.5° | 119.2° |
| C10 | N4 | C13 | O1 | 174.3° | 179.8° |
| C10 | N4 | C13 | C12 | 5.2° | 0.0° |
| N4 | C10 | C11 | H8 | 118.6° | 119.2° |
| N4 | C10 | C11 | H9 | 118.6° | 119.2° |
| N4 | C10 | C11 | C12 | 2.6° | 0.0° |
| N4 | C10 | C11 | C14 | 177.6° | 180.0° |
| C10 | N4 | C9 | H7 | 162.1° | 0.0° |
| N4 | C10 | H8 | H9 | 124.0° | 121.6° |
| O1 | C13 | C12 | C11 | 176.2° | 179.8° |
| O1 | C13 | C12 | C17 | 3.6° | 0.2° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | C17 | 179.9° | 180.0° |
| C13 | C12 | C11 | C14 | 179.6° | 180.0° |
| C13 | C12 | C17 | C16 | 179.7° | 180.0° |
| C13 | C12 | C17 | H13 | 0.3° | 0.0° |
| C10 | C11 | C12 | C14 | 179.9° | 180.0° |
| C10 | C11 | C12 | C17 | 179.9° | 180.0° |
| C10 | C11 | C14 | C15 | 180.0° | 180.0° |
| C10 | C11 | C14 | H10 | 0.0° | 0.0° |
| C11 | C10 | H8 | H9 | 124.0° | 121.6° |
| C11 | C12 | C17 | C16 | 0.2° | 0.0° |
| C12 | C11 | C14 | C15 | 0.2° | 0.0° |
| C12 | C11 | C14 | H10 | 179.8° | 180.0° |
| C12 | C11 | C10 | H8 | 116.0° | 119.2° |
| C12 | C11 | C10 | H9 | 121.2° | 119.2° |
| C11 | C12 | C17 | H13 | 179.8° | 180.0° |
| C17 | C12 | C11 | C14 | 0.2° | 0.0° |
| C12 | C17 | C16 | H13 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 0.1° | 0.0° |
| C12 | C17 | C16 | H12 | 179.9° | 180.0° |
| C11 | C14 | C15 | H10 | 180.0° | 180.0° |
| C11 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C11 | C10 | H8 | 63.8° | 60.8° |
| C14 | C11 | C10 | H9 | 59.0° | 60.8° |
| C11 | C14 | C15 | H11 | 179.9° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | H12 | 179.9° | 180.0° |
| C16 | C15 | C14 | H10 | 179.9° | 180.0° |
| C15 | C16 | C17 | H13 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.2° |
| H1 | C1 | C6 | H4 | 0.1° | 0.4° |
| H3 | C5 | C6 | H4 | 0.0° | 0.4° |
| H7 | C9 | C18 | H16 | 63.9° | 60.0° |
| H7 | C9 | C18 | H15 | 56.1° | 180.0° |
| H7 | C9 | C18 | H14 | 176.1° | 60.0° |
| H10 | C14 | C15 | H11 | 0.1° | 0.0° |
| H11 | C15 | C16 | H12 | 0.1° | 0.0° |
| H12 | C16 | C17 | H13 | 0.1° | 0.0° |
| H16 | C18 | H15 | H14 | 120.0° | 120.0° |
