RT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C14 | doub | 1.21Å | 1.22Å | |
| O26 | S25 | doub | 1.42Å | 1.45Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | N15 | sing | 1.35Å | 1.34Å | |
| C13 | S12 | sing | 1.81Å | 1.77Å | |
| S25 | C19 | sing | 1.76Å | 1.63Å | |
| S25 | N28 | sing | 1.66Å | 1.60Å | |
| S25 | O27 | doub | 1.42Å | 1.44Å | |
| O22 | C11 | doub | 1.22Å | 1.22Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.36Å | |
| C16 | C17 | doub | 1.39Å | 1.48Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | S12 | sing | 1.76Å | 1.69Å | |
| C11 | N7 | sing | 1.35Å | 1.34Å | |
| C8 | N7 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| N7 | C1 | sing | 1.40Å | 1.38Å | |
| C17 | CL24 | sing | 1.74Å | 1.79Å | |
| C10 | C6 | sing | 1.51Å | 1.51Å | |
| C1 | C6 | doub | 1.38Å | 1.48Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.48Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| CL29 | C2 | sing | 1.74Å | 1.80Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | CL30 | sing | 1.74Å | 1.77Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H110 | sing | 1.09Å | 1.10Å | |
| C10 | H210 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H113 | sing | 1.09Å | 1.10Å | |
| C13 | H213 | sing | 1.09Å | 1.10Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C18 | H18A | sing | 1.08Å | 1.08Å | |
| N28 | H128 | sing | 0.97Å | 1.00Å | |
| N28 | H228 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C14 | C13 | 117.3° | 120.0° |
| O23 | C14 | N15 | 123.3° | 120.0° |
| O26 | S25 | C19 | 110.8° | 106.4° |
| O26 | S25 | N28 | 107.3° | 106.4° |
| O26 | S25 | O27 | 110.8° | 123.1° |
| C21 | C20 | C19 | 122.5° | 120.1° |
| C20 | C21 | C16 | 120.6° | 119.9° |
| C21 | C20 | H20 | 118.7° | 119.9° |
| C20 | C21 | H21 | 119.7° | 120.1° |
| C20 | C19 | S25 | 120.0° | 119.9° |
| C20 | C19 | C18 | 118.7° | 120.2° |
| C19 | C20 | H20 | 118.8° | 119.9° |
| C21 | C16 | N15 | 121.0° | 120.1° |
| C21 | C16 | C17 | 117.8° | 119.9° |
| C16 | C21 | H21 | 119.7° | 120.0° |
| C13 | C14 | N15 | 119.4° | 120.0° |
| C14 | C13 | S12 | 115.2° | 109.5° |
| C14 | C13 | H113 | 107.6° | 109.5° |
| C14 | C13 | H213 | 106.3° | 109.5° |
| C14 | N15 | C16 | 122.3° | 119.9° |
| C14 | N15 | HN15 | 118.9° | 120.1° |
| C13 | S12 | C11 | 118.5° | 100.0° |
| S12 | C13 | H113 | 107.6° | 109.5° |
| S12 | C13 | H213 | 106.3° | 109.5° |
| C19 | S25 | N28 | 107.0° | 107.2° |
| C19 | S25 | O27 | 109.6° | 106.4° |
| S25 | C19 | C18 | 121.3° | 119.9° |
| N28 | S25 | O27 | 111.3° | 106.4° |
| S25 | N28 | H128 | 109.5° | 120.0° |
| S25 | N28 | H228 | 109.5° | 120.0° |
| O22 | C11 | S12 | 118.4° | 120.0° |
| O22 | C11 | N7 | 118.8° | 120.0° |
| C19 | C18 | C17 | 120.7° | 120.0° |
| C19 | C18 | H18A | 119.6° | 120.0° |
| N15 | C16 | C17 | 121.2° | 120.0° |
| C16 | N15 | HN15 | 118.9° | 120.0° |
| C16 | C17 | C18 | 119.7° | 119.9° |
| C16 | C17 | CL24 | 119.9° | 120.1° |
| C8 | C9 | C10 | 114.2° | 108.8° |
| C9 | C8 | N7 | 106.2° | 107.8° |
| C8 | C9 | H19 | 108.0° | 109.5° |
| C8 | C9 | H29 | 106.8° | 109.6° |
| C9 | C8 | H18 | 110.6° | 109.8° |
| C9 | C8 | H28 | 111.3° | 109.8° |
| C9 | C10 | C6 | 110.6° | 110.5° |
| C9 | C10 | H110 | 109.1° | 109.3° |
| C9 | C10 | H210 | 108.8° | 109.2° |
| C10 | C9 | H19 | 107.9° | 109.6° |
| C10 | C9 | H29 | 106.9° | 109.6° |
| S12 | C11 | N7 | 122.7° | 120.0° |
| C11 | N7 | C8 | 124.5° | 120.6° |
| C11 | N7 | C1 | 122.2° | 120.6° |
| C8 | N7 | C1 | 113.3° | 118.9° |
| N7 | C8 | H18 | 110.6° | 109.8° |
| N7 | C8 | H28 | 111.3° | 109.8° |
| C18 | C17 | CL24 | 120.3° | 120.0° |
| C17 | C18 | H18A | 119.7° | 120.0° |
| N7 | C1 | C6 | 117.0° | 120.8° |
| N7 | C1 | C2 | 123.9° | 119.2° |
| C10 | C6 | C1 | 122.8° | 121.5° |
| C10 | C6 | C5 | 119.0° | 118.9° |
| C6 | C10 | H110 | 109.1° | 109.3° |
| C6 | C10 | H210 | 108.8° | 109.3° |
| C6 | C1 | C2 | 119.1° | 120.0° |
| C1 | C6 | C5 | 118.2° | 119.6° |
| C1 | C2 | CL29 | 125.5° | 120.0° |
| C1 | C2 | C3 | 117.7° | 120.0° |
| C6 | C5 | C4 | 119.9° | 120.3° |
| C6 | C5 | H5 | 120.1° | 119.9° |
| CL29 | C2 | C3 | 116.8° | 120.0° |
| C2 | C3 | C4 | 120.6° | 119.9° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C5 | C4 | C3 | 124.5° | 120.1° |
| C5 | C4 | CL30 | 119.2° | 120.0° |
| C4 | C5 | H5 | 120.1° | 119.8° |
| C3 | C4 | CL30 | 116.2° | 120.0° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| H110 | C10 | H210 | 110.4° | 109.3° |
| H19 | C9 | H29 | 113.2° | 109.7° |
| H18 | C8 | H28 | 106.9° | 109.8° |
| H113 | C13 | H213 | 114.0° | 109.4° |
| H128 | N28 | H228 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C14 | C13 | N15 | 178.5° | 180.0° |
| O23 | C14 | C13 | S12 | 130.4° | 0.0° |
| O23 | C14 | N15 | C16 | 24.8° | 5.7° |
| O23 | C14 | C13 | H113 | 10.4° | 120.0° |
| O23 | C14 | C13 | H213 | 112.2° | 120.0° |
| O23 | C14 | N15 | HN15 | 155.2° | 174.3° |
| O26 | S25 | C19 | C20 | 21.3° | 156.5° |
| O26 | S25 | C19 | N28 | 116.6° | 113.5° |
| O26 | S25 | C19 | O27 | 122.6° | 132.9° |
| O26 | S25 | N28 | O27 | 121.4° | 132.9° |
| O26 | S25 | C19 | C18 | 160.1° | 23.5° |
| O26 | S25 | N28 | H128 | 22.8° | 113.5° |
| O26 | S25 | N28 | H228 | 142.8° | 66.5° |
| C21 | C20 | C19 | H20 | 180.0° | 179.5° |
| C20 | C21 | C16 | H21 | 180.0° | 179.6° |
| C21 | C20 | C19 | S25 | 179.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.4° | 0.3° |
| C20 | C21 | C16 | N15 | 179.8° | 179.8° |
| C20 | C21 | C16 | C17 | 0.0° | 0.5° |
| C19 | C20 | C21 | C16 | 0.2° | 0.5° |
| C20 | C19 | S25 | C18 | 178.6° | 180.0° |
| C20 | C19 | S25 | N28 | 95.3° | 90.0° |
| C20 | C19 | S25 | O27 | 143.9° | 23.6° |
| C20 | C19 | C18 | C17 | 0.4° | 0.1° |
| C20 | C19 | C18 | H18A | 179.6° | 180.0° |
| C19 | C20 | C21 | H21 | 179.8° | 179.9° |
| C21 | C16 | N15 | C14 | 13.5° | 33.9° |
| C21 | C16 | N15 | C17 | 179.8° | 179.7° |
| C21 | C16 | C17 | C18 | 0.1° | 0.3° |
| C21 | C16 | C17 | CL24 | 179.6° | 179.7° |
| C21 | C16 | N15 | HN15 | 166.5° | 146.1° |
| C16 | C21 | C20 | H20 | 179.8° | 180.0° |
| C14 | C13 | S12 | H113 | 120.0° | 120.0° |
| C14 | C13 | S12 | H213 | 117.5° | 120.0° |
| C13 | C14 | N15 | C16 | 156.8° | 174.3° |
| C14 | C13 | S12 | C11 | 69.0° | 180.0° |
| C14 | C13 | H113 | H213 | 117.7° | 120.0° |
| C13 | C14 | N15 | HN15 | 23.2° | 5.7° |
| N15 | C14 | C13 | S12 | 51.1° | 180.0° |
| C14 | N15 | C16 | HN15 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 166.3° | 145.8° |
| N15 | C14 | C13 | H113 | 171.1° | 60.0° |
| N15 | C14 | C13 | H213 | 66.4° | 60.0° |
| C13 | S12 | C11 | O22 | 26.2° | 0.1° |
| C13 | S12 | C11 | N7 | 153.5° | 180.0° |
| S12 | C13 | H113 | H213 | 117.7° | 120.0° |
| C19 | S25 | N28 | O27 | 119.7° | 113.5° |
| S25 | C19 | C18 | C17 | 179.0° | 180.0° |
| S25 | C19 | C18 | H18A | 1.0° | 0.0° |
| C19 | S25 | N28 | H128 | 96.1° | 0.0° |
| C19 | S25 | N28 | H228 | 23.9° | 180.0° |
| S25 | C19 | C20 | H20 | 1.0° | 0.3° |
| N28 | S25 | C19 | C18 | 83.3° | 90.0° |
| S25 | N28 | H128 | H228 | 120.0° | 180.0° |
| O27 | S25 | C19 | C18 | 37.5° | 156.4° |
| O27 | S25 | N28 | H128 | 144.2° | 113.5° |
| O27 | S25 | N28 | H228 | 95.8° | 66.5° |
| O22 | C11 | S12 | N7 | 179.7° | 179.9° |
| O22 | C11 | N7 | C8 | 30.7° | 145.0° |
| O22 | C11 | N7 | C1 | 151.0° | 35.1° |
| C19 | C18 | C17 | C16 | 0.3° | 0.1° |
| C19 | C18 | C17 | H18A | 180.0° | 179.9° |
| C19 | C18 | C17 | CL24 | 179.4° | 179.9° |
| C18 | C19 | C20 | H20 | 179.6° | 179.8° |
| N15 | C16 | C17 | C18 | 179.7° | 180.0° |
| N15 | C16 | C17 | CL24 | 0.7° | 0.0° |
| N15 | C16 | C21 | H21 | 0.3° | 0.2° |
| C16 | C17 | C18 | CL24 | 179.6° | 180.0° |
| C17 | C16 | N15 | HN15 | 13.8° | 34.2° |
| C16 | C17 | C18 | H18A | 179.7° | 180.0° |
| C17 | C16 | C21 | H21 | 180.0° | 179.9° |
| C8 | C9 | C10 | H19 | 120.0° | 119.8° |
| C8 | C9 | C10 | H29 | 117.9° | 119.8° |
| C9 | C8 | N7 | C11 | 111.7° | 135.5° |
| C9 | C8 | N7 | H18 | 120.0° | 119.6° |
| C9 | C8 | N7 | H28 | 121.3° | 119.5° |
| C9 | C8 | N7 | C1 | 66.8° | 44.6° |
| C8 | C9 | C10 | C6 | 26.0° | 51.4° |
| C8 | C9 | C10 | H110 | 94.0° | 68.8° |
| C8 | C9 | C10 | H210 | 145.5° | 171.7° |
| C8 | C9 | H19 | H29 | 118.0° | 120.3° |
| C9 | C8 | H18 | H28 | 121.3° | 120.8° |
| C10 | C9 | C8 | N7 | 61.1° | 63.3° |
| C9 | C10 | C6 | H110 | 120.0° | 120.3° |
| C9 | C10 | C6 | H210 | 119.5° | 120.2° |
| C9 | C10 | C6 | C1 | 4.9° | 20.7° |
| C9 | C10 | C6 | C5 | 175.1° | 159.4° |
| C9 | C10 | H110 | H210 | 119.5° | 119.5° |
| C10 | C9 | H19 | H29 | 118.1° | 120.4° |
| C10 | C9 | C8 | H18 | 178.9° | 56.3° |
| C10 | C9 | C8 | H28 | 60.2° | 177.2° |
| S12 | C11 | N7 | C8 | 149.0° | 34.9° |
| S12 | C11 | N7 | C1 | 29.3° | 145.0° |
| C11 | S12 | C13 | H113 | 51.0° | 60.0° |
| C11 | S12 | C13 | H213 | 173.6° | 59.9° |
| C11 | N7 | C8 | C1 | 178.5° | 179.9° |
| C11 | N7 | C1 | C6 | 141.3° | 166.7° |
| C11 | N7 | C1 | C2 | 39.6° | 13.5° |
| C11 | N7 | C8 | H18 | 8.3° | 104.9° |
| C11 | N7 | C8 | H28 | 127.0° | 15.9° |
| C8 | N7 | C1 | C6 | 37.2° | 13.4° |
| C8 | N7 | C1 | C2 | 141.9° | 166.4° |
| N7 | C8 | C9 | H19 | 178.9° | 176.9° |
| N7 | C8 | C9 | H29 | 56.8° | 56.5° |
| N7 | C8 | H18 | H28 | 121.3° | 120.8° |
| N7 | C1 | C6 | C10 | 0.3° | 0.4° |
| N7 | C1 | C6 | C2 | 179.2° | 179.8° |
| N7 | C1 | C6 | C5 | 179.6° | 179.7° |
| N7 | C1 | C2 | CL29 | 1.4° | 0.2° |
| N7 | C1 | C2 | C3 | 179.7° | 179.7° |
| C1 | N7 | C8 | H18 | 173.1° | 75.0° |
| C1 | N7 | C8 | H28 | 54.5° | 164.2° |
| CL24 | C17 | C18 | H18A | 0.7° | 0.0° |
| C10 | C6 | C1 | C5 | 180.0° | 179.9° |
| C10 | C6 | C1 | C2 | 179.5° | 179.4° |
| C10 | C6 | C5 | C4 | 179.6° | 179.8° |
| C10 | C6 | C5 | H5 | 0.4° | 0.1° |
| C6 | C10 | H110 | H210 | 119.5° | 119.5° |
| C6 | C10 | C9 | H19 | 146.1° | 171.2° |
| C6 | C10 | C9 | H29 | 91.9° | 68.4° |
| C6 | C1 | C2 | CL29 | 179.5° | 179.6° |
| C6 | C1 | C2 | C3 | 0.6° | 0.4° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C1 | C6 | C5 | H5 | 179.6° | 180.0° |
| C1 | C6 | C10 | H110 | 124.9° | 99.6° |
| C1 | C6 | C10 | H210 | 114.6° | 140.9° |
| C2 | C1 | C6 | C5 | 0.5° | 0.5° |
| C1 | C2 | CL29 | C3 | 178.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.5° | 0.3° |
| C6 | C5 | C4 | CL30 | 179.6° | 180.0° |
| C5 | C6 | C10 | H110 | 55.1° | 80.3° |
| C5 | C6 | C10 | H210 | 65.4° | 39.2° |
| CL29 | C2 | C3 | C4 | 179.7° | 180.0° |
| CL29 | C2 | C3 | H3 | 0.3° | 0.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | CL30 | 179.8° | 179.9° |
| C5 | C4 | C3 | CL30 | 179.2° | 179.8° |
| C5 | C4 | C3 | H3 | 179.4° | 179.7° |
| C3 | C4 | C5 | H5 | 179.6° | 179.6° |
| CL30 | C4 | C3 | H3 | 0.2° | 0.1° |
| CL30 | C4 | C5 | H5 | 0.4° | 0.1° |
| H110 | C10 | C9 | H19 | 26.1° | 50.9° |
| H110 | C10 | C9 | H29 | 148.1° | 171.4° |
| H210 | C10 | C9 | H19 | 94.4° | 68.6° |
| H210 | C10 | C9 | H29 | 27.6° | 51.9° |
| H19 | C9 | C8 | H18 | 58.8° | 63.4° |
| H19 | C9 | C8 | H28 | 59.8° | 57.4° |
| H29 | C9 | C8 | H18 | 63.2° | 176.1° |
| H29 | C9 | C8 | H28 | 178.1° | 63.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.5° |
