5RX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C5 | sing | 1.51Å | 1.55Å | |
| C12 | S19 | sing | 1.81Å | 1.88Å | |
| C2 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | CL1 | sing | 1.74Å | 1.68Å | |
| O18 | C9 | doub | 1.22Å | 1.37Å | |
| S19 | C11 | sing | 1.76Å | 1.74Å | |
| N16 | C11 | doub | 1.31Å | 1.37Å | Aromatic |
| N16 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | N14 | sing | 1.37Å | 1.31Å | Aromatic |
| C9 | C6 | sing | 1.41Å | 1.33Å | |
| C9 | N15 | sing | 1.35Å | 1.35Å | |
| C6 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| N14 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| N15 | C10 | sing | 1.36Å | 1.37Å | |
| C8 | N13 | sing | 1.34Å | 1.36Å | |
| C10 | N13 | doub | 1.31Å | 1.33Å | |
| C10 | N17 | sing | 1.37Å | 1.40Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| N14 | H7 | sing | 0.97Å | 1.00Å | |
| N15 | H8 | sing | 0.97Å | 1.00Å | |
| N17 | H10 | sing | 0.97Å | 1.00Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C12 | S19 | 125.3° | 109.5° |
| C12 | C5 | C2 | 120.8° | 120.0° |
| C12 | C5 | C1 | 121.6° | 120.0° |
| C5 | C12 | H5 | 105.4° | 109.4° |
| C5 | C12 | H6 | 105.4° | 109.4° |
| C12 | S19 | C11 | 90.8° | 100.0° |
| S19 | C12 | H5 | 105.4° | 109.5° |
| S19 | C12 | H6 | 105.4° | 109.5° |
| C5 | C2 | C4 | 120.8° | 120.0° |
| C2 | C5 | C1 | 117.6° | 120.1° |
| C5 | C2 | H2 | 119.6° | 120.0° |
| C2 | C4 | C7 | 119.9° | 120.0° |
| C4 | C2 | H2 | 119.6° | 120.0° |
| C2 | C4 | H4 | 120.1° | 120.0° |
| C5 | C1 | C3 | 122.1° | 120.0° |
| C5 | C1 | H1 | 118.9° | 120.0° |
| C4 | C7 | C3 | 121.1° | 120.0° |
| C4 | C7 | CL1 | 121.4° | 120.0° |
| C7 | C4 | H4 | 120.0° | 120.0° |
| C1 | C3 | C7 | 118.5° | 120.0° |
| C3 | C1 | H1 | 118.9° | 120.0° |
| C1 | C3 | H3 | 120.7° | 119.9° |
| C3 | C7 | CL1 | 117.5° | 120.0° |
| C7 | C3 | H3 | 120.8° | 120.0° |
| O18 | C9 | C6 | 127.4° | 120.8° |
| O18 | C9 | N15 | 118.6° | 120.8° |
| S19 | C11 | N16 | 127.4° | 125.2° |
| S19 | C11 | N14 | 121.0° | 125.2° |
| C11 | N16 | C6 | 105.6° | 109.3° |
| N16 | C11 | N14 | 111.6° | 109.6° |
| N16 | C6 | C9 | 131.2° | 134.0° |
| N16 | C6 | C8 | 108.0° | 107.4° |
| C11 | N14 | C8 | 108.1° | 107.5° |
| C11 | N14 | H7 | 125.9° | 126.2° |
| C6 | C9 | N15 | 114.0° | 118.4° |
| C9 | C6 | C8 | 120.8° | 118.7° |
| C9 | N15 | C10 | 122.0° | 120.3° |
| C9 | N15 | H8 | 119.0° | 119.9° |
| C6 | C8 | N14 | 106.6° | 106.3° |
| C6 | C8 | N13 | 126.9° | 119.7° |
| N14 | C8 | N13 | 126.4° | 134.0° |
| C8 | N14 | H7 | 126.0° | 126.3° |
| N15 | C10 | N13 | 128.0° | 121.9° |
| N15 | C10 | N17 | 114.8° | 119.1° |
| C10 | N15 | H8 | 119.0° | 119.8° |
| C8 | N13 | C10 | 108.0° | 121.1° |
| N13 | C10 | N17 | 116.5° | 119.0° |
| C10 | N17 | H10 | 120.0° | 120.0° |
| C10 | N17 | H11 | 120.0° | 120.0° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H10 | N17 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C12 | S19 | H5 | 122.1° | 120.0° |
| C5 | C12 | S19 | H6 | 122.1° | 120.0° |
| C12 | C5 | C2 | C1 | 178.6° | 179.9° |
| C12 | C5 | C2 | C4 | 179.2° | 179.5° |
| C12 | C5 | C1 | C3 | 179.9° | 180.0° |
| C5 | C12 | S19 | C11 | 89.0° | 180.0° |
| C12 | C5 | C1 | H1 | 0.1° | 0.2° |
| C12 | C5 | C2 | H2 | 0.8° | 0.1° |
| C5 | C12 | H5 | H6 | 112.9° | 119.9° |
| S19 | C12 | C5 | C2 | 119.1° | 89.9° |
| S19 | C12 | C5 | C1 | 62.3° | 89.9° |
| C12 | S19 | C11 | N16 | 93.3° | 0.3° |
| C12 | S19 | C11 | N14 | 84.8° | 180.0° |
| S19 | C12 | H5 | H6 | 112.9° | 120.0° |
| C5 | C2 | C4 | H2 | 180.0° | 179.4° |
| C5 | C2 | C4 | C7 | 0.8° | 0.9° |
| C2 | C5 | C1 | C3 | 1.2° | 0.1° |
| C2 | C5 | C1 | H1 | 178.8° | 179.7° |
| C5 | C2 | C4 | H4 | 179.2° | 180.0° |
| C2 | C5 | C12 | H5 | 118.8° | 150.0° |
| C2 | C5 | C12 | H6 | 3.0° | 30.1° |
| C4 | C2 | C5 | C1 | 0.6° | 0.6° |
| C2 | C4 | C7 | H4 | 180.0° | 179.2° |
| C2 | C4 | C7 | C3 | 1.4° | 0.6° |
| C2 | C4 | C7 | CL1 | 179.5° | 180.0° |
| C5 | C1 | C3 | H1 | 180.0° | 179.8° |
| C5 | C1 | C3 | C7 | 0.6° | 0.2° |
| C1 | C5 | C2 | H2 | 179.4° | 179.9° |
| C5 | C1 | C3 | H3 | 179.4° | 179.8° |
| C1 | C5 | C12 | H5 | 59.8° | 30.1° |
| C1 | C5 | C12 | H6 | 175.6° | 150.0° |
| C4 | C7 | C3 | C1 | 0.8° | 0.0° |
| C4 | C7 | C3 | CL1 | 179.1° | 179.4° |
| C7 | C4 | C2 | H2 | 179.3° | 179.7° |
| C4 | C7 | C3 | H3 | 179.3° | 180.0° |
| C1 | C3 | C7 | H3 | 180.0° | 180.0° |
| C1 | C3 | C7 | CL1 | 179.8° | 179.5° |
| C7 | C3 | C1 | H1 | 179.4° | 180.0° |
| C3 | C7 | C4 | H4 | 178.6° | 179.7° |
| CL1 | C7 | C3 | H3 | 0.2° | 0.5° |
| CL1 | C7 | C4 | H4 | 0.5° | 0.8° |
| O18 | C9 | C6 | N16 | 0.6° | 0.3° |
| O18 | C9 | C6 | N15 | 179.2° | 179.9° |
| O18 | C9 | C6 | C8 | 179.2° | 179.9° |
| O18 | C9 | N15 | C10 | 176.4° | 180.0° |
| O18 | C9 | N15 | H8 | 3.6° | 0.0° |
| S19 | C11 | N16 | N14 | 178.3° | 179.7° |
| S19 | C11 | N16 | C6 | 178.2° | 179.9° |
| S19 | C11 | N14 | C8 | 179.3° | 180.0° |
| C11 | S19 | C12 | H5 | 148.9° | 60.0° |
| C11 | S19 | C12 | H6 | 33.1° | 60.0° |
| S19 | C11 | N14 | H7 | 0.7° | 0.2° |
| C11 | N16 | C6 | C9 | 177.8° | 179.9° |
| C11 | N16 | C6 | C8 | 2.4° | 0.4° |
| N16 | C11 | N14 | C8 | 2.3° | 0.3° |
| N16 | C11 | N14 | H7 | 177.7° | 180.0° |
| C6 | N16 | C11 | N14 | 0.1° | 0.4° |
| N16 | C6 | C9 | C8 | 179.8° | 179.7° |
| N16 | C6 | C9 | N15 | 179.8° | 179.7° |
| N16 | C6 | C8 | N14 | 3.8° | 0.2° |
| N16 | C6 | C8 | N13 | 179.9° | 179.7° |
| C11 | N14 | C8 | C6 | 3.7° | 0.0° |
| C11 | N14 | C8 | H7 | 180.0° | 179.8° |
| C11 | N14 | C8 | N13 | 179.8° | 180.0° |
| C9 | C6 | C8 | N14 | 176.4° | 180.0° |
| C6 | C9 | N15 | C10 | 2.9° | 0.1° |
| C9 | C6 | C8 | N13 | 0.3° | 0.0° |
| C6 | C9 | N15 | H8 | 177.1° | 180.0° |
| N15 | C9 | C6 | C8 | 0.0° | 0.0° |
| C9 | N15 | C10 | H8 | 180.0° | 180.0° |
| C9 | N15 | C10 | N13 | 6.9° | 0.1° |
| C9 | N15 | C10 | N17 | 177.1° | 179.9° |
| C6 | C8 | N14 | N13 | 176.1° | 179.9° |
| C6 | C8 | N13 | C10 | 3.1° | 0.1° |
| C6 | C8 | N14 | H7 | 176.3° | 179.8° |
| N14 | C8 | N13 | C10 | 178.5° | 180.0° |
| N15 | C10 | N13 | C8 | 6.4° | 0.0° |
| N15 | C10 | N13 | N17 | 170.1° | 180.0° |
| N15 | C10 | N17 | H10 | 171.4° | 180.0° |
| N15 | C10 | N17 | H11 | 8.6° | 0.1° |
| C8 | N13 | C10 | N17 | 176.5° | 180.0° |
| N13 | C8 | N14 | H7 | 0.2° | 0.3° |
| N13 | C10 | N15 | H8 | 173.1° | 180.0° |
| N13 | C10 | N17 | H10 | 0.0° | 0.1° |
| N13 | C10 | N17 | H11 | 180.0° | 180.0° |
| N17 | C10 | N15 | H8 | 2.9° | 0.1° |
| C10 | N17 | H10 | H11 | 180.0° | 179.9° |
| H1 | C1 | C3 | H3 | 0.6° | 0.0° |
| H2 | C2 | C4 | H4 | 0.7° | 0.5° |
