RV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | N2 | sing | 1.31Å | 1.32Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| N2 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C10 | sing | 1.35Å | 1.36Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C10 | C2 | sing | 1.51Å | 1.56Å | |
| C10 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.52Å | 1.54Å | |
| C2 | C9 | sing | 1.50Å | 1.55Å | |
| C3 | N | sing | 1.48Å | 1.47Å | |
| N | S | sing | 1.67Å | 1.63Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| CL | C7 | sing | 1.74Å | 1.74Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | S | sing | 1.77Å | 1.75Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | 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 | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 120.6° | 119.5° |
| C15 | C16 | C17 | 120.7° | 121.1° |
| C16 | C15 | H6 | 119.7° | 120.2° |
| C15 | C16 | H17 | 119.7° | 119.4° |
| C15 | C14 | C13 | 123.1° | 122.0° |
| C15 | C14 | C19 | 119.0° | 119.3° |
| C14 | C15 | H6 | 119.7° | 120.3° |
| C16 | C17 | C18 | 120.7° | 121.0° |
| C16 | C17 | H7 | 119.6° | 119.5° |
| C17 | C16 | H17 | 119.7° | 119.5° |
| C14 | C13 | N2 | 124.1° | 120.2° |
| C13 | C14 | C19 | 117.8° | 118.7° |
| C14 | C13 | H5 | 118.0° | 119.9° |
| C13 | N2 | C12 | 117.5° | 122.9° |
| N2 | C13 | H5 | 117.9° | 119.9° |
| C14 | C19 | C18 | 118.0° | 119.6° |
| C14 | C19 | C11 | 118.1° | 118.2° |
| N2 | C12 | C11 | 125.3° | 121.6° |
| N2 | C12 | H18 | 117.4° | 119.2° |
| C17 | C18 | C19 | 120.9° | 119.5° |
| C18 | C17 | H7 | 119.7° | 119.5° |
| C17 | C18 | H16 | 119.5° | 120.3° |
| C18 | C19 | C11 | 123.8° | 122.2° |
| C19 | C18 | H16 | 119.6° | 120.2° |
| C19 | C11 | C12 | 117.0° | 118.4° |
| C19 | C11 | N1 | 118.9° | 120.7° |
| C12 | C11 | N1 | 124.0° | 120.9° |
| C11 | C12 | H18 | 117.3° | 119.2° |
| C11 | N1 | C10 | 129.2° | 120.0° |
| C11 | N1 | H1 | 115.4° | 120.1° |
| N1 | C10 | C2 | 116.8° | 120.0° |
| N1 | C10 | O2 | 122.4° | 120.0° |
| C10 | N1 | H1 | 115.4° | 119.9° |
| C | C1 | C2 | 115.6° | 109.4° |
| C | C1 | H11 | 107.9° | 109.5° |
| C | C1 | H12 | 107.9° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.4° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C2 | C10 | 110.7° | 108.5° |
| C1 | C2 | C3 | 111.7° | 108.6° |
| C1 | C2 | C9 | 109.2° | 108.5° |
| C2 | C1 | H11 | 107.9° | 109.4° |
| C2 | C1 | H12 | 107.9° | 109.5° |
| C2 | C10 | O2 | 120.8° | 120.0° |
| C10 | C2 | C3 | 99.0° | 108.5° |
| C10 | C2 | C9 | 112.9° | 108.5° |
| C3 | C2 | C9 | 113.0° | 114.0° |
| C2 | C3 | N | 110.4° | 109.2° |
| C2 | C3 | H9 | 109.2° | 109.5° |
| C2 | C3 | H10 | 109.2° | 109.5° |
| C2 | C9 | C8 | 119.2° | 117.3° |
| C2 | C9 | C4 | 123.0° | 124.0° |
| C3 | N | S | 113.6° | 115.3° |
| C3 | N | H8 | 108.5° | 122.3° |
| N | C3 | H9 | 109.2° | 109.5° |
| N | C3 | H10 | 109.3° | 109.4° |
| N | S | C4 | 102.3° | 104.8° |
| N | S | O1 | 108.1° | 106.8° |
| N | S | O | 108.2° | 106.8° |
| S | N | H8 | 108.4° | 122.3° |
| C8 | C9 | C4 | 117.4° | 118.7° |
| C9 | C8 | C7 | 119.8° | 120.7° |
| C9 | C8 | H4 | 120.1° | 119.7° |
| C9 | C4 | S | 120.6° | 120.5° |
| C9 | C4 | C5 | 122.0° | 120.7° |
| C8 | C7 | CL | 118.7° | 120.0° |
| C8 | C7 | C6 | 122.0° | 120.1° |
| C7 | C8 | H4 | 120.1° | 119.6° |
| CL | C7 | C6 | 118.8° | 119.9° |
| C7 | C6 | C5 | 119.2° | 119.4° |
| C7 | C6 | H3 | 120.4° | 120.3° |
| S | C4 | C5 | 117.4° | 118.8° |
| C4 | S | O1 | 108.9° | 106.8° |
| C4 | S | O | 109.4° | 106.8° |
| C4 | C5 | C6 | 119.4° | 120.3° |
| C4 | C5 | H2 | 120.3° | 119.9° |
| O1 | S | O | 118.7° | 123.4° |
| C6 | C5 | H2 | 120.3° | 119.8° |
| C5 | C6 | H3 | 120.4° | 120.3° |
| H9 | C3 | H10 | 109.5° | 109.6° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 175.6° | 180.0° |
| C16 | C15 | C14 | C19 | 2.2° | 0.0° |
| C15 | C16 | C17 | C18 | 0.9° | 0.0° |
| C15 | C16 | C17 | H7 | 179.1° | 180.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.0° |
| C15 | C14 | C13 | C19 | 177.8° | 180.0° |
| C15 | C14 | C13 | N2 | 177.7° | 180.0° |
| C15 | C14 | C19 | C18 | 2.0° | 0.0° |
| C15 | C14 | C19 | C11 | 179.7° | 180.0° |
| C15 | C14 | C13 | H5 | 2.3° | 0.3° |
| C14 | C15 | C16 | H17 | 179.2° | 180.0° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.1° | 0.0° |
| C17 | C16 | C15 | H6 | 179.2° | 179.9° |
| C16 | C17 | C18 | H16 | 178.9° | 180.0° |
| C14 | C13 | N2 | H5 | 180.0° | 179.8° |
| C14 | C13 | N2 | C12 | 1.7° | 0.0° |
| C13 | C14 | C19 | C18 | 175.9° | 180.0° |
| C13 | C14 | C19 | C11 | 2.4° | 0.0° |
| C13 | C14 | C15 | H6 | 4.5° | 0.1° |
| N2 | C13 | C14 | C19 | 0.2° | 0.0° |
| C13 | N2 | C12 | C11 | 0.7° | 0.1° |
| C13 | N2 | C12 | H18 | 179.3° | 180.0° |
| C14 | C19 | C18 | C17 | 0.4° | 0.1° |
| C14 | C19 | C18 | C11 | 178.2° | 180.0° |
| C14 | C19 | C11 | C12 | 3.3° | 0.0° |
| C14 | C19 | C11 | N1 | 174.1° | 180.0° |
| C19 | C14 | C13 | H5 | 179.8° | 179.7° |
| C19 | C14 | C15 | H6 | 177.7° | 179.9° |
| C14 | C19 | C18 | H16 | 179.6° | 180.0° |
| N2 | C12 | C11 | C19 | 1.8° | 0.1° |
| N2 | C12 | C11 | H18 | 180.0° | 179.9° |
| N2 | C12 | C11 | N1 | 175.4° | 180.0° |
| C12 | N2 | C13 | H5 | 178.3° | 179.7° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | C11 | 178.6° | 180.0° |
| C18 | C17 | C16 | H17 | 179.1° | 180.0° |
| C18 | C19 | C11 | C12 | 174.9° | 179.9° |
| C18 | C19 | C11 | N1 | 7.7° | 0.0° |
| C19 | C18 | C17 | H7 | 179.0° | 180.0° |
| C19 | C11 | C12 | N1 | 177.2° | 180.0° |
| C19 | C11 | N1 | C10 | 97.3° | 159.9° |
| C19 | C11 | N1 | H1 | 82.7° | 20.4° |
| C11 | C19 | C18 | H16 | 1.4° | 0.0° |
| C19 | C11 | C12 | H18 | 178.2° | 180.0° |
| C12 | C11 | N1 | C10 | 79.8° | 20.2° |
| C12 | C11 | N1 | H1 | 100.2° | 159.5° |
| C11 | N1 | C10 | H1 | 180.0° | 179.7° |
| C11 | N1 | C10 | C2 | 174.6° | 177.9° |
| C11 | N1 | C10 | O2 | 4.8° | 2.0° |
| N1 | C11 | C12 | H18 | 4.6° | 0.1° |
| N1 | C10 | C2 | C1 | 29.1° | 61.6° |
| N1 | C10 | C2 | O2 | 179.4° | 180.0° |
| N1 | C10 | C2 | C3 | 88.3° | 56.2° |
| N1 | C10 | C2 | C9 | 151.9° | 179.4° |
| C | C1 | C2 | H11 | 120.9° | 120.0° |
| C | C1 | C2 | H12 | 120.9° | 120.0° |
| C | C1 | C2 | C10 | 164.2° | 176.5° |
| C | C1 | C2 | C3 | 55.0° | 65.7° |
| C | C1 | C2 | C9 | 70.8° | 58.8° |
| C | C1 | H11 | H12 | 117.2° | 120.1° |
| 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 | C10 | C3 | 117.4° | 117.8° |
| C1 | C2 | C10 | C9 | 122.8° | 117.7° |
| C1 | C2 | C10 | O2 | 150.3° | 118.4° |
| C1 | C2 | C3 | C9 | 123.7° | 121.1° |
| C1 | C2 | C3 | N | 173.2° | 178.0° |
| C1 | C2 | C9 | C8 | 39.6° | 33.6° |
| C1 | C2 | C9 | C4 | 147.3° | 146.9° |
| C1 | C2 | C3 | H9 | 66.6° | 62.0° |
| C1 | C2 | C3 | H10 | 53.1° | 58.2° |
| C2 | C1 | H11 | H12 | 117.2° | 120.0° |
| C2 | C1 | C | H13 | 180.0° | 174.2° |
| C2 | C1 | C | H14 | 60.0° | 54.2° |
| C2 | C1 | C | H15 | 60.0° | 65.8° |
| C10 | C2 | C3 | C9 | 119.7° | 121.1° |
| C10 | C2 | C3 | N | 70.1° | 64.3° |
| C10 | C2 | C9 | C8 | 84.0° | 84.1° |
| C10 | C2 | C9 | C4 | 89.1° | 95.4° |
| C2 | C10 | N1 | H1 | 5.4° | 2.4° |
| C10 | C2 | C3 | H9 | 50.0° | 55.7° |
| C10 | C2 | C3 | H10 | 169.7° | 175.9° |
| C10 | C2 | C1 | H11 | 74.8° | 63.5° |
| C10 | C2 | C1 | H12 | 43.3° | 56.5° |
| O2 | C10 | C2 | C3 | 92.3° | 123.8° |
| O2 | C10 | C2 | C9 | 27.4° | 0.7° |
| O2 | C10 | N1 | H1 | 175.2° | 177.6° |
| C2 | C3 | N | H9 | 120.1° | 120.0° |
| C2 | C3 | N | H10 | 120.1° | 119.9° |
| C2 | C3 | N | S | 71.1° | 65.6° |
| C3 | C2 | C9 | C8 | 164.7° | 154.8° |
| C3 | C2 | C9 | C4 | 22.2° | 25.7° |
| C2 | C3 | N | H8 | 49.5° | 114.3° |
| C2 | C3 | H9 | H10 | 119.5° | 120.2° |
| C3 | C2 | C1 | H11 | 175.9° | 54.3° |
| C3 | C2 | C1 | H12 | 65.9° | 174.3° |
| C9 | C2 | C3 | N | 49.5° | 56.8° |
| C2 | C9 | C8 | C4 | 173.5° | 179.5° |
| C2 | C9 | C8 | C7 | 167.7° | 179.1° |
| C2 | C9 | C4 | S | 12.7° | 1.5° |
| C2 | C9 | C4 | C5 | 170.1° | 178.8° |
| C2 | C9 | C8 | H4 | 12.3° | 0.9° |
| C9 | C2 | C3 | H9 | 169.7° | 176.8° |
| C9 | C2 | C3 | H10 | 70.6° | 63.0° |
| C9 | C2 | C1 | H11 | 50.1° | 178.8° |
| C9 | C2 | C1 | H12 | 168.3° | 61.2° |
| C3 | N | S | H8 | 120.6° | 179.9° |
| C3 | N | S | C4 | 54.9° | 39.0° |
| C3 | N | S | O1 | 60.0° | 74.0° |
| C3 | N | S | O | 170.3° | 152.1° |
| N | C3 | H9 | H10 | 119.6° | 120.0° |
| N | S | C4 | C9 | 25.9° | 6.8° |
| N | S | C4 | O1 | 114.2° | 113.1° |
| N | S | C4 | O | 114.5° | 113.1° |
| N | S | C4 | C5 | 156.7° | 173.5° |
| N | S | O1 | O | 123.6° | 124.2° |
| S | N | C3 | H9 | 168.8° | 174.4° |
| S | N | C3 | H10 | 49.1° | 54.3° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | CL | 166.8° | 179.8° |
| C9 | C8 | C7 | C6 | 5.0° | 0.1° |
| C8 | C9 | C4 | S | 174.1° | 179.0° |
| C8 | C9 | C4 | C5 | 3.1° | 0.7° |
| C4 | C9 | C8 | C7 | 5.8° | 0.4° |
| C9 | C4 | S | C5 | 177.4° | 179.7° |
| C9 | C4 | S | O1 | 88.3° | 106.2° |
| C9 | C4 | S | O | 140.5° | 120.0° |
| C9 | C4 | C5 | C6 | 0.5° | 0.4° |
| C9 | C4 | C5 | H2 | 179.5° | 179.6° |
| C4 | C9 | C8 | H4 | 174.3° | 179.5° |
| C8 | C7 | CL | C6 | 172.1° | 180.0° |
| C8 | C7 | C6 | C5 | 1.3° | 0.4° |
| C8 | C7 | C6 | H3 | 178.7° | 179.6° |
| CL | C7 | C6 | C5 | 170.6° | 179.5° |
| CL | C7 | C6 | H3 | 9.5° | 0.4° |
| CL | C7 | C8 | H4 | 13.2° | 0.1° |
| C7 | C6 | C5 | C4 | 1.5° | 0.2° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 178.5° | 179.9° |
| C6 | C7 | C8 | H4 | 175.0° | 179.9° |
| C4 | S | O1 | O | 126.0° | 124.1° |
| S | C4 | C5 | C6 | 177.8° | 179.3° |
| S | C4 | C5 | H2 | 2.2° | 0.7° |
| C4 | S | N | H8 | 65.7° | 140.9° |
| C5 | C4 | S | O1 | 89.1° | 73.5° |
| C5 | C4 | S | O | 42.2° | 60.3° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | H3 | 178.5° | 179.8° |
| O1 | S | N | H8 | 179.4° | 106.0° |
| O | S | N | H8 | 49.7° | 27.8° |
| H2 | C5 | C6 | H3 | 1.5° | 0.1° |
| H6 | C15 | C16 | H17 | 0.8° | 0.0° |
| H7 | C17 | C18 | H16 | 1.1° | 0.0° |
| H7 | C17 | C16 | H17 | 0.8° | 0.0° |
| H8 | N | C3 | H9 | 70.6° | 5.6° |
| H8 | N | C3 | H10 | 169.6° | 125.8° |
| H11 | C1 | C | H13 | 59.1° | 65.8° |
| H11 | C1 | C | H14 | 60.9° | 174.1° |
| H11 | C1 | C | H15 | 179.1° | 54.1° |
| H12 | C1 | C | H13 | 59.1° | 54.2° |
| H12 | C1 | C | H14 | 179.1° | 65.8° |
| H12 | C1 | C | H15 | 60.9° | 174.2° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
