5RV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C11 | sing | 1.37Å | 1.39Å | |
| C11 | N17 | doub | 1.32Å | 1.34Å | |
| C11 | N15 | sing | 1.36Å | 1.35Å | |
| N17 | C10 | sing | 1.34Å | 1.34Å | |
| N15 | C9 | sing | 1.37Å | 1.34Å | |
| C10 | O20 | doub | 1.22Å | 1.36Å | |
| C10 | C8 | sing | 1.46Å | 1.37Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | N16 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N18 | sing | 1.36Å | 1.37Å | Aromatic |
| N16 | C12 | sing | 1.37Å | 1.31Å | Aromatic |
| N18 | C12 | doub | 1.31Å | 1.36Å | Aromatic |
| C12 | S21 | sing | 1.76Å | 1.72Å | |
| S21 | C13 | sing | 1.81Å | 1.85Å | |
| N14 | C1 | trip | 1.14Å | 1.16Å | |
| C13 | C7 | sing | 1.51Å | 1.53Å | |
| C1 | C6 | sing | 1.43Å | 1.41Å | |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| N15 | H7 | sing | 0.97Å | 1.00Å | |
| N16 | H8 | sing | 0.97Å | 1.00Å | |
| N19 | H10 | sing | 0.97Å | 1.00Å | |
| N19 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C11 | N17 | 114.8° | 118.7° |
| N19 | C11 | N15 | 118.2° | 118.8° |
| C11 | N19 | H10 | 120.0° | 120.1° |
| C11 | N19 | H11 | 120.0° | 119.9° |
| N17 | C11 | N15 | 127.0° | 122.5° |
| C11 | N17 | C10 | 117.6° | 121.3° |
| C11 | N15 | C9 | 114.4° | 120.5° |
| C11 | N15 | H7 | 122.8° | 119.8° |
| N17 | C10 | O20 | 117.7° | 120.7° |
| N17 | C10 | C8 | 119.3° | 118.6° |
| N15 | C9 | C8 | 121.8° | 118.9° |
| N15 | C9 | N16 | 126.4° | 134.6° |
| C9 | N15 | H7 | 122.8° | 119.7° |
| O20 | C10 | C8 | 123.0° | 120.7° |
| C10 | C8 | C9 | 119.9° | 118.2° |
| C10 | C8 | N18 | 134.8° | 134.3° |
| C8 | C9 | N16 | 111.8° | 106.6° |
| C9 | C8 | N18 | 105.3° | 107.5° |
| C9 | N16 | C12 | 103.2° | 107.5° |
| C9 | N16 | H8 | 128.4° | 126.3° |
| C8 | N18 | C12 | 105.7° | 109.1° |
| N16 | C12 | N18 | 114.0° | 109.3° |
| N16 | C12 | S21 | 125.6° | 125.4° |
| C12 | N16 | H8 | 128.4° | 126.2° |
| N18 | C12 | S21 | 120.5° | 125.3° |
| C12 | S21 | C13 | 99.4° | 100.1° |
| S21 | C13 | C7 | 123.4° | 109.5° |
| S21 | C13 | H5 | 105.9° | 109.5° |
| S21 | C13 | H6 | 105.9° | 109.5° |
| N14 | C1 | C6 | 177.0° | 179.9° |
| C13 | C7 | C6 | 124.7° | 120.1° |
| C13 | C7 | C5 | 118.7° | 120.1° |
| C7 | C13 | H5 | 105.9° | 109.5° |
| C7 | C13 | H6 | 105.9° | 109.5° |
| C1 | C6 | C7 | 121.2° | 120.2° |
| C1 | C6 | C4 | 116.2° | 120.1° |
| C6 | C7 | C5 | 116.6° | 119.9° |
| C7 | C6 | C4 | 122.6° | 119.7° |
| C7 | C5 | C3 | 121.1° | 120.1° |
| C7 | C5 | H4 | 119.4° | 120.0° |
| C6 | C4 | C2 | 119.6° | 119.8° |
| C6 | C4 | H3 | 120.2° | 120.0° |
| C5 | C3 | C2 | 121.2° | 120.3° |
| C5 | C3 | H2 | 119.4° | 119.8° |
| C3 | C5 | H4 | 119.4° | 119.9° |
| C4 | C2 | C3 | 118.9° | 120.2° |
| C4 | C2 | H1 | 120.5° | 119.9° |
| C2 | C4 | H3 | 120.2° | 120.1° |
| C3 | C2 | H1 | 120.5° | 119.9° |
| C2 | C3 | H2 | 119.4° | 119.9° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H10 | N19 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C11 | N17 | N15 | 179.9° | 179.8° |
| N19 | C11 | N17 | C10 | 179.8° | 180.0° |
| N19 | C11 | N15 | C9 | 180.0° | 180.0° |
| N19 | C11 | N15 | H7 | 0.0° | 0.1° |
| C11 | N19 | H10 | H11 | 179.9° | 180.0° |
| N17 | C11 | N15 | C9 | 0.1° | 0.2° |
| C11 | N17 | C10 | O20 | 179.7° | 179.9° |
| C11 | N17 | C10 | C8 | 0.1° | 0.1° |
| N17 | C11 | N15 | H7 | 179.8° | 179.9° |
| N17 | C11 | N19 | H10 | 0.0° | 0.0° |
| N17 | C11 | N19 | H11 | 180.0° | 180.0° |
| N15 | C11 | N17 | C10 | 0.3° | 0.2° |
| C11 | N15 | C9 | H7 | 180.0° | 179.9° |
| C11 | N15 | C9 | C8 | 0.2° | 0.1° |
| C11 | N15 | C9 | N16 | 179.5° | 179.9° |
| N15 | C11 | N19 | H10 | 179.9° | 179.8° |
| N15 | C11 | N19 | H11 | 0.1° | 0.2° |
| N17 | C10 | O20 | C8 | 179.9° | 180.0° |
| N17 | C10 | C8 | C9 | 0.2° | 0.3° |
| N17 | C10 | C8 | N18 | 179.9° | 179.9° |
| N15 | C9 | C8 | C10 | 0.4° | 0.3° |
| N15 | C9 | C8 | N16 | 179.4° | 179.9° |
| N15 | C9 | C8 | N18 | 179.7° | 180.0° |
| N15 | C9 | N16 | C12 | 179.6° | 179.9° |
| N15 | C9 | N16 | H8 | 0.4° | 0.1° |
| O20 | C10 | C8 | C9 | 179.9° | 179.7° |
| O20 | C10 | C8 | N18 | 0.1° | 0.1° |
| C10 | C8 | C9 | N18 | 179.9° | 179.7° |
| C10 | C8 | C9 | N16 | 179.8° | 179.8° |
| C10 | C8 | N18 | C12 | 179.8° | 179.7° |
| C8 | C9 | N16 | C12 | 0.2° | 0.1° |
| C9 | C8 | N18 | C12 | 0.3° | 0.1° |
| C8 | C9 | N15 | H7 | 179.8° | 179.8° |
| C8 | C9 | N16 | H8 | 179.8° | 180.0° |
| N16 | C9 | C8 | N18 | 0.3° | 0.1° |
| C9 | N16 | C12 | H8 | 180.0° | 179.9° |
| C9 | N16 | C12 | N18 | 0.0° | 0.0° |
| C9 | N16 | C12 | S21 | 180.0° | 180.0° |
| N16 | C9 | N15 | H7 | 0.5° | 0.1° |
| C8 | N18 | C12 | N16 | 0.2° | 0.0° |
| C8 | N18 | C12 | S21 | 179.8° | 179.9° |
| N16 | C12 | N18 | S21 | 180.0° | 180.0° |
| N16 | C12 | S21 | C13 | 89.3° | 180.0° |
| N18 | C12 | S21 | C13 | 90.7° | 0.0° |
| N18 | C12 | N16 | H8 | 180.0° | 180.0° |
| C12 | S21 | C13 | C7 | 44.1° | 180.0° |
| C12 | S21 | C13 | H5 | 77.8° | 60.0° |
| C12 | S21 | C13 | H6 | 166.0° | 60.0° |
| S21 | C12 | N16 | H8 | 0.1° | 0.1° |
| S21 | C13 | C7 | H5 | 121.9° | 120.0° |
| S21 | C13 | C7 | H6 | 121.9° | 120.0° |
| S21 | C13 | C7 | C6 | 80.2° | 90.0° |
| S21 | C13 | C7 | C5 | 101.2° | 90.3° |
| S21 | C13 | H5 | H6 | 113.7° | 120.0° |
| N14 | C1 | C6 | C7 | 91.4° | 34.7° |
| N14 | C1 | C6 | C4 | 88.1° | 145.4° |
| C13 | C7 | C6 | C1 | 1.0° | 0.0° |
| C13 | C7 | C6 | C5 | 178.6° | 179.7° |
| C13 | C7 | C6 | C4 | 179.5° | 179.9° |
| C13 | C7 | C5 | C3 | 179.5° | 179.9° |
| C13 | C7 | C5 | H4 | 0.5° | 0.0° |
| C7 | C13 | H5 | H6 | 113.7° | 120.0° |
| C1 | C6 | C7 | C4 | 179.5° | 179.9° |
| C1 | C6 | C7 | C5 | 179.6° | 179.7° |
| C1 | C6 | C4 | C2 | 180.0° | 180.0° |
| C1 | C6 | C4 | H3 | 0.0° | 0.1° |
| C6 | C7 | C5 | C3 | 0.8° | 0.3° |
| C7 | C6 | C4 | C2 | 0.5° | 0.1° |
| C7 | C6 | C4 | H3 | 179.5° | 180.0° |
| C6 | C7 | C5 | H4 | 179.2° | 179.7° |
| C6 | C7 | C13 | H5 | 157.9° | 150.0° |
| C6 | C7 | C13 | H6 | 41.7° | 30.0° |
| C5 | C7 | C6 | C4 | 0.9° | 0.3° |
| C7 | C5 | C3 | H4 | 180.0° | 180.0° |
| C7 | C5 | C3 | C2 | 0.3° | 0.0° |
| C7 | C5 | C3 | H2 | 179.6° | 179.9° |
| C5 | C7 | C13 | H5 | 20.7° | 29.8° |
| C5 | C7 | C13 | H6 | 136.9° | 149.7° |
| C6 | C4 | C2 | H3 | 180.0° | 179.9° |
| C6 | C4 | C2 | C3 | 0.0° | 0.2° |
| C6 | C4 | C2 | H1 | 179.9° | 180.0° |
| C5 | C3 | C2 | C4 | 0.1° | 0.2° |
| C5 | C3 | C2 | H2 | 180.0° | 180.0° |
| C5 | C3 | C2 | H1 | 179.9° | 180.0° |
| C4 | C2 | C3 | H1 | 180.0° | 179.7° |
| C4 | C2 | C3 | H2 | 179.9° | 179.8° |
| C3 | C2 | C4 | H3 | 180.0° | 179.7° |
| C2 | C3 | C5 | H4 | 179.7° | 180.0° |
| H1 | C2 | C3 | H2 | 0.1° | 0.1° |
| H1 | C2 | C4 | H3 | 0.0° | 0.1° |
| H2 | C3 | C5 | H4 | 0.3° | 0.0° |
