RIV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.50Å | 1.50Å | |
| C1 | C3 | sing | 1.54Å | 1.54Å | |
| N2 | C4 | sing | 1.40Å | 1.40Å | |
| N2 | C12 | sing | 1.43Å | 1.43Å | |
| C3 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | O13 | doub | 1.22Å | 1.22Å | |
| O5 | C6 | sing | 1.44Å | 1.44Å | |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C9 | doub | 1.43Å | 1.43Å | Aromatic |
| C7 | N14 | sing | 1.44Å | 1.44Å | |
| C8 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| N14 | C15 | sing | 1.40Å | 1.40Å | |
| N14 | C16 | sing | 1.48Å | 1.48Å | |
| C15 | O17 | sing | 1.36Å | 1.36Å | |
| C15 | O19 | doub | 1.22Å | 1.22Å | |
| C16 | C18 | sing | 1.54Å | 1.54Å | |
| O17 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C20 | sing | 1.56Å | 1.56Å | |
| C20 | N21 | sing | 1.51Å | 1.51Å | |
| N21 | C22 | sing | 1.41Å | 1.41Å | |
| C22 | C25 | sing | 1.50Å | 1.50Å | |
| C22 | O28 | doub | 1.22Å | 1.22Å | |
| S23 | C24 | sing | 1.59Å | 1.59Å | Aromatic |
| S23 | C25 | sing | 1.63Å | 1.63Å | Aromatic |
| C24 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | CL | sing | 1.77Å | 1.77Å | |
| C25 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | H11C | sing | 1.10Å | 1.10Å | |
| C1 | H12C | sing | 1.10Å | 1.10Å | |
| C3 | H31C | sing | 1.10Å | 1.10Å | |
| C3 | H32C | sing | 1.10Å | 1.10Å | |
| C6 | H61C | sing | 1.10Å | 1.10Å | |
| C6 | H62C | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| N21 | H21 | sing | 1.00Å | 1.00Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 112.6° | 112.6° |
| C1 | N2 | C4 | 121.1° | 121.1° |
| C1 | N2 | C12 | 118.5° | 118.5° |
| N2 | C1 | H11C | 108.4° | 108.4° |
| N2 | C1 | H12C | 107.7° | 107.7° |
| C1 | C3 | O5 | 108.3° | 108.3° |
| C3 | C1 | H11C | 108.4° | 108.4° |
| C3 | C1 | H12C | 107.7° | 107.7° |
| C1 | C3 | H31C | 109.8° | 109.9° |
| C1 | C3 | H32C | 110.2° | 110.1° |
| C4 | N2 | C12 | 120.3° | 120.3° |
| N2 | C4 | C6 | 119.6° | 119.6° |
| N2 | C4 | O13 | 120.5° | 120.5° |
| N2 | C12 | C10 | 119.8° | 119.8° |
| N2 | C12 | C11 | 121.0° | 121.0° |
| C3 | O5 | C6 | 112.5° | 112.5° |
| O5 | C3 | H31C | 109.9° | 109.9° |
| O5 | C3 | H32C | 110.1° | 110.2° |
| C6 | C4 | O13 | 119.9° | 119.9° |
| C4 | C6 | O5 | 111.1° | 111.1° |
| C4 | C6 | H61C | 108.9° | 108.9° |
| C4 | C6 | H62C | 108.6° | 108.6° |
| O5 | C6 | H61C | 108.9° | 108.9° |
| O5 | C6 | H62C | 108.6° | 108.6° |
| C8 | C7 | C9 | 118.6° | 118.6° |
| C8 | C7 | N14 | 119.4° | 119.4° |
| C7 | C8 | C10 | 120.6° | 120.6° |
| C7 | C8 | H8 | 119.7° | 119.7° |
| C9 | C7 | N14 | 122.0° | 122.0° |
| C7 | C9 | C11 | 120.8° | 120.8° |
| C7 | C9 | H9 | 119.6° | 119.6° |
| C7 | N14 | C15 | 127.4° | 127.4° |
| C7 | N14 | C16 | 125.2° | 125.2° |
| C8 | C10 | C12 | 121.1° | 121.1° |
| C10 | C8 | H8 | 119.7° | 119.7° |
| C8 | C10 | H10 | 119.5° | 119.5° |
| C9 | C11 | C12 | 119.7° | 119.7° |
| C11 | C9 | H9 | 119.6° | 119.6° |
| C9 | C11 | H11 | 120.2° | 120.2° |
| C10 | C12 | C11 | 119.2° | 119.2° |
| C12 | C10 | H10 | 119.4° | 119.4° |
| C12 | C11 | H11 | 120.1° | 120.1° |
| C15 | N14 | C16 | 107.4° | 107.4° |
| N14 | C15 | O17 | 113.5° | 113.5° |
| N14 | C15 | O19 | 124.2° | 124.2° |
| N14 | C16 | C18 | 102.9° | 102.9° |
| N14 | C16 | H161 | 111.7° | 111.7° |
| N14 | C16 | H162 | 113.1° | 113.1° |
| O17 | C15 | O19 | 122.3° | 122.3° |
| C15 | O17 | C18 | 108.0° | 108.0° |
| C16 | C18 | O17 | 107.3° | 107.3° |
| C16 | C18 | C20 | 112.7° | 112.7° |
| C18 | C16 | H161 | 111.7° | 111.7° |
| C18 | C16 | H162 | 113.1° | 113.1° |
| C16 | C18 | H18 | 109.6° | 109.7° |
| O17 | C18 | C20 | 112.0° | 112.0° |
| O17 | C18 | H18 | 110.5° | 110.4° |
| C18 | C20 | N21 | 117.0° | 117.0° |
| C20 | C18 | H18 | 104.7° | 104.7° |
| C18 | C20 | H201 | 107.0° | 107.0° |
| C18 | C20 | H202 | 105.3° | 105.3° |
| C20 | N21 | C22 | 120.4° | 120.4° |
| N21 | C20 | H201 | 107.0° | 107.0° |
| N21 | C20 | H202 | 105.3° | 105.3° |
| C20 | N21 | H21 | 119.8° | 119.8° |
| N21 | C22 | C25 | 121.8° | 121.8° |
| N21 | C22 | O28 | 119.6° | 119.6° |
| C22 | N21 | H21 | 119.8° | 119.8° |
| C25 | C22 | O28 | 118.5° | 118.5° |
| C22 | C25 | S23 | 124.6° | 124.6° |
| C22 | C25 | C27 | 126.7° | 126.7° |
| C24 | S23 | C25 | 98.7° | 98.7° |
| S23 | C24 | C26 | 108.9° | 108.9° |
| S23 | C24 | CL | 125.2° | 125.2° |
| S23 | C25 | C27 | 108.7° | 108.7° |
| C26 | C24 | CL | 125.9° | 125.9° |
| C24 | C26 | C27 | 112.3° | 112.3° |
| C24 | C26 | H26 | 123.8° | 123.8° |
| C25 | C27 | C26 | 111.3° | 111.3° |
| C25 | C27 | H27 | 124.3° | 124.3° |
| C27 | C26 | H26 | 123.9° | 123.9° |
| C26 | C27 | H27 | 124.3° | 124.3° |
| H11C | C1 | H12C | 112.0° | 112.0° |
| H31C | C3 | H32C | 108.6° | 108.5° |
| H61C | C6 | H62C | 110.7° | 110.7° |
| H161 | C16 | H162 | 104.5° | 104.5° |
| H201 | C20 | H202 | 115.6° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | H11C | 120.0° | 120.0° |
| N2 | C1 | C3 | H12C | 118.7° | 118.6° |
| C1 | N2 | C4 | C12 | 179.7° | 179.7° |
| N2 | C1 | C3 | O5 | 44.5° | 44.5° |
| C1 | N2 | C4 | C6 | 0.2° | 0.2° |
| C1 | N2 | C4 | O13 | 179.9° | 179.9° |
| C1 | N2 | C12 | C10 | 90.9° | 90.9° |
| C1 | N2 | C12 | C11 | 88.9° | 88.9° |
| N2 | C1 | H11C | H12C | 118.7° | 118.7° |
| N2 | C1 | C3 | H31C | 164.5° | 164.5° |
| N2 | C1 | C3 | H32C | 76.0° | 76.0° |
| C3 | C1 | N2 | C4 | 12.3° | 12.3° |
| C3 | C1 | N2 | C12 | 168.0° | 168.0° |
| C1 | C3 | O5 | H31C | 120.0° | 120.0° |
| C1 | C3 | O5 | H32C | 120.5° | 120.5° |
| C1 | C3 | O5 | C6 | 68.9° | 68.9° |
| C3 | C1 | H11C | H12C | 118.7° | 118.7° |
| C1 | C3 | H31C | H32C | 120.5° | 120.5° |
| N2 | C4 | C6 | O13 | 179.9° | 179.9° |
| N2 | C4 | C6 | O5 | 19.8° | 19.8° |
| C4 | N2 | C12 | C10 | 88.8° | 88.8° |
| C4 | N2 | C12 | C11 | 91.3° | 91.3° |
| C4 | N2 | C1 | H11C | 107.7° | 107.7° |
| C4 | N2 | C1 | H12C | 130.9° | 130.9° |
| N2 | C4 | C6 | H61C | 100.2° | 100.2° |
| N2 | C4 | C6 | H62C | 139.2° | 139.2° |
| C12 | N2 | C4 | C6 | 179.6° | 179.6° |
| C12 | N2 | C4 | O13 | 0.4° | 0.4° |
| N2 | C12 | C10 | C8 | 179.6° | 179.6° |
| N2 | C12 | C11 | C9 | 179.9° | 179.9° |
| N2 | C12 | C10 | C11 | 179.9° | 179.9° |
| C12 | N2 | C1 | H11C | 72.1° | 72.1° |
| C12 | N2 | C1 | H12C | 49.3° | 49.4° |
| N2 | C12 | C10 | H10 | 0.4° | 0.4° |
| N2 | C12 | C11 | H11 | 0.1° | 0.1° |
| C3 | O5 | C6 | C4 | 55.8° | 55.8° |
| O5 | C3 | C1 | H11C | 75.5° | 75.5° |
| O5 | C3 | C1 | H12C | 163.2° | 163.1° |
| O5 | C3 | H31C | H32C | 120.5° | 120.5° |
| C3 | O5 | C6 | H61C | 64.2° | 64.2° |
| C3 | O5 | C6 | H62C | 175.1° | 175.1° |
| C4 | C6 | O5 | H61C | 120.0° | 120.0° |
| C4 | C6 | O5 | H62C | 119.3° | 119.3° |
| C4 | C6 | H61C | H62C | 119.4° | 119.4° |
| O13 | C4 | C6 | O5 | 160.1° | 160.1° |
| O13 | C4 | C6 | H61C | 79.9° | 79.9° |
| O13 | C4 | C6 | H62C | 40.8° | 40.8° |
| C6 | O5 | C3 | H31C | 171.1° | 171.0° |
| C6 | O5 | C3 | H32C | 51.6° | 51.5° |
| O5 | C6 | H61C | H62C | 119.3° | 119.3° |
| C8 | C7 | C9 | N14 | 179.4° | 179.4° |
| C7 | C8 | C10 | H8 | 180.0° | 180.0° |
| C8 | C7 | C9 | C11 | 0.6° | 0.6° |
| C7 | C8 | C10 | C12 | 0.3° | 0.3° |
| C8 | C7 | N14 | C15 | 179.5° | 179.5° |
| C8 | C7 | N14 | C16 | 1.1° | 1.1° |
| C8 | C7 | C9 | H9 | 179.4° | 179.4° |
| C7 | C8 | C10 | H10 | 179.7° | 179.7° |
| C9 | C7 | C8 | C10 | 0.1° | 0.1° |
| C7 | C9 | C11 | H9 | 180.0° | 180.0° |
| C7 | C9 | C11 | C12 | 0.6° | 0.6° |
| C9 | C7 | N14 | C15 | 1.1° | 1.1° |
| C9 | C7 | N14 | C16 | 178.3° | 178.3° |
| C9 | C7 | C8 | H8 | 179.9° | 179.9° |
| C7 | C9 | C11 | H11 | 179.4° | 179.4° |
| N14 | C7 | C8 | C10 | 179.3° | 179.3° |
| N14 | C7 | C9 | C11 | 178.9° | 178.9° |
| C7 | N14 | C15 | C16 | 179.5° | 179.5° |
| C7 | N14 | C15 | O17 | 178.4° | 178.4° |
| C7 | N14 | C15 | O19 | 1.0° | 1.0° |
| C7 | N14 | C16 | C18 | 176.0° | 176.0° |
| N14 | C7 | C8 | H8 | 0.7° | 0.7° |
| N14 | C7 | C9 | H9 | 1.1° | 1.1° |
| C7 | N14 | C16 | H161 | 64.0° | 64.0° |
| C7 | N14 | C16 | H162 | 53.6° | 53.6° |
| C8 | C10 | C12 | H10 | 180.0° | 180.0° |
| C8 | C10 | C12 | C11 | 0.2° | 0.2° |
| C9 | C11 | C12 | C10 | 0.2° | 0.2° |
| C9 | C11 | C12 | H11 | 180.0° | 180.0° |
| C12 | C10 | C8 | H8 | 179.8° | 179.8° |
| C10 | C12 | C11 | H11 | 179.8° | 179.8° |
| C12 | C11 | C9 | H9 | 179.4° | 179.4° |
| C11 | C12 | C10 | H10 | 179.8° | 179.7° |
| N14 | C15 | O17 | O19 | 179.5° | 179.5° |
| C15 | N14 | C16 | C18 | 4.5° | 4.5° |
| N14 | C15 | O17 | C18 | 6.7° | 6.7° |
| C15 | N14 | C16 | H161 | 115.5° | 115.5° |
| C15 | N14 | C16 | H162 | 126.9° | 126.9° |
| C16 | N14 | C15 | O17 | 1.1° | 1.1° |
| C16 | N14 | C15 | O19 | 179.5° | 179.5° |
| N14 | C16 | C18 | H161 | 120.0° | 120.0° |
| N14 | C16 | C18 | H162 | 122.4° | 122.4° |
| N14 | C16 | C18 | O17 | 8.4° | 8.4° |
| N14 | C16 | C18 | C20 | 132.1° | 132.1° |
| N14 | C16 | H161 | H162 | 122.6° | 122.6° |
| N14 | C16 | C18 | H18 | 111.6° | 111.6° |
| C15 | O17 | C18 | C16 | 9.3° | 9.3° |
| C15 | O17 | C18 | C20 | 133.5° | 133.5° |
| C15 | O17 | C18 | H18 | 110.2° | 110.2° |
| O19 | C15 | O17 | C18 | 173.8° | 173.8° |
| C16 | C18 | O17 | C20 | 124.2° | 124.2° |
| C16 | C18 | O17 | H18 | 119.5° | 119.5° |
| C16 | C18 | C20 | H18 | 119.1° | 119.2° |
| C16 | C18 | C20 | N21 | 62.8° | 62.8° |
| C18 | C16 | H161 | H162 | 122.7° | 122.7° |
| C16 | C18 | C20 | H201 | 57.2° | 57.2° |
| C16 | C18 | C20 | H202 | 179.2° | 179.2° |
| O17 | C18 | C20 | H18 | 119.7° | 119.7° |
| O17 | C18 | C20 | N21 | 58.4° | 58.4° |
| O17 | C18 | C16 | H161 | 111.6° | 111.6° |
| O17 | C18 | C16 | H162 | 130.7° | 130.7° |
| O17 | C18 | C20 | H201 | 178.3° | 178.3° |
| O17 | C18 | C20 | H202 | 58.1° | 58.1° |
| C18 | C20 | N21 | H201 | 120.0° | 120.0° |
| C18 | C20 | N21 | H202 | 116.5° | 116.5° |
| C18 | C20 | N21 | C22 | 109.5° | 109.5° |
| C20 | C18 | C16 | H161 | 12.1° | 12.1° |
| C20 | C18 | C16 | H162 | 105.5° | 105.5° |
| C18 | C20 | H201 | H202 | 116.9° | 116.9° |
| C18 | C20 | N21 | H21 | 70.5° | 70.5° |
| C20 | N21 | C22 | H21 | 180.0° | 180.0° |
| C20 | N21 | C22 | C25 | 177.2° | 177.2° |
| C20 | N21 | C22 | O28 | 1.5° | 1.5° |
| N21 | C20 | C18 | H18 | 178.1° | 178.1° |
| N21 | C20 | H201 | H202 | 116.8° | 116.8° |
| N21 | C22 | C25 | O28 | 178.7° | 178.7° |
| N21 | C22 | C25 | S23 | 168.3° | 168.3° |
| N21 | C22 | C25 | C27 | 12.5° | 12.5° |
| C22 | N21 | C20 | H201 | 10.5° | 10.5° |
| C22 | N21 | C20 | H202 | 134.0° | 134.0° |
| C22 | C25 | S23 | C24 | 179.7° | 179.7° |
| C22 | C25 | S23 | C27 | 179.3° | 179.3° |
| C22 | C25 | C27 | C26 | 179.7° | 179.7° |
| C25 | C22 | N21 | H21 | 2.8° | 2.8° |
| C22 | C25 | C27 | H27 | 0.3° | 0.3° |
| O28 | C22 | C25 | S23 | 13.0° | 13.0° |
| O28 | C22 | C25 | C27 | 166.2° | 166.2° |
| O28 | C22 | N21 | H21 | 178.6° | 178.6° |
| S23 | C24 | C26 | CL | 179.4° | 179.4° |
| C24 | S23 | C25 | C27 | 0.3° | 0.3° |
| S23 | C24 | C26 | C27 | 0.0° | 0.0° |
| S23 | C24 | C26 | H26 | 180.0° | 180.0° |
| C25 | S23 | C24 | C26 | 0.2° | 0.2° |
| C25 | S23 | C24 | CL | 179.2° | 179.2° |
| S23 | C25 | C27 | C26 | 0.3° | 0.3° |
| S23 | C25 | C27 | H27 | 179.7° | 179.7° |
| C24 | C26 | C27 | C25 | 0.2° | 0.2° |
| C24 | C26 | C27 | H26 | 180.0° | 180.0° |
| C24 | C26 | C27 | H27 | 179.8° | 179.8° |
| CL | C24 | C26 | C27 | 179.4° | 179.4° |
| CL | C24 | C26 | H26 | 0.6° | 0.6° |
| C25 | C27 | C26 | H27 | 180.0° | 180.0° |
| C25 | C27 | C26 | H26 | 179.8° | 179.8° |
| H11C | C1 | C3 | H31C | 44.5° | 44.6° |
| H11C | C1 | C3 | H32C | 164.1° | 164.0° |
| H12C | C1 | C3 | H31C | 76.8° | 76.9° |
| H12C | C1 | C3 | H32C | 42.7° | 42.6° |
| H8 | C8 | C10 | H10 | 0.2° | 0.3° |
| H9 | C9 | C11 | H11 | 0.6° | 0.6° |
| H161 | C16 | C18 | H18 | 128.4° | 128.4° |
| H162 | C16 | C18 | H18 | 10.7° | 10.7° |
| H18 | C18 | C20 | H201 | 61.9° | 61.9° |
| H18 | C18 | C20 | H202 | 61.6° | 61.6° |
| H201 | C20 | N21 | H21 | 169.5° | 169.5° |
| H202 | C20 | N21 | H21 | 46.0° | 46.0° |
| H26 | C26 | C27 | H27 | 0.2° | 0.2° |
