RM5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C6 | sing | 1.53Å | 1.55Å | |
| O7 | C6 | sing | 1.43Å | 1.43Å | |
| C8 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C2 | sing | 1.51Å | 1.52Å | |
| CL1 | C20 | sing | 1.74Å | 1.75Å | |
| C26 | C24 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.41Å | 1.47Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | O5 | sing | 1.34Å | 1.34Å | Aromatic |
| C24 | C18 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| O16 | C14 | doub | 1.22Å | 1.22Å | |
| C18 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | O5 | sing | 1.34Å | 1.33Å | Aromatic |
| C4 | S9 | sing | 1.76Å | 1.71Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| O12 | S9 | doub | 1.42Å | 1.44Å | |
| C17 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | N15 | sing | 1.40Å | 1.42Å | |
| C22 | C27 | sing | 1.51Å | 1.54Å | |
| C14 | N15 | sing | 1.35Å | 1.36Å | |
| C14 | N10 | sing | 1.35Å | 1.35Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| S9 | N10 | sing | 1.66Å | 1.64Å | |
| S9 | O11 | doub | 1.42Å | 1.44Å | |
| C27 | C29 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| N10 | H26 | sing | 0.97Å | 1.00Å | |
| N15 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C6 | O7 | 109.8° | 109.5° |
| C13 | C6 | C8 | 108.4° | 109.5° |
| C13 | C6 | C2 | 109.9° | 109.4° |
| C6 | C13 | H3 | 109.5° | 109.5° |
| C6 | C13 | H4 | 109.5° | 109.4° |
| C6 | C13 | H5 | 109.5° | 109.5° |
| O7 | C6 | C8 | 105.8° | 109.5° |
| O7 | C6 | C2 | 110.2° | 109.5° |
| C6 | O7 | H22 | 109.5° | 114.0° |
| C8 | C6 | C2 | 112.7° | 109.5° |
| C6 | C8 | H23 | 109.5° | 109.5° |
| C6 | C8 | H24 | 109.4° | 109.5° |
| C6 | C8 | H25 | 109.4° | 109.5° |
| C6 | C2 | C3 | 128.2° | 126.6° |
| C6 | C2 | C1 | 129.5° | 126.7° |
| CL1 | C20 | C19 | 119.4° | 119.9° |
| CL1 | C20 | C21 | 120.0° | 119.9° |
| C26 | C24 | C18 | 114.0° | 109.4° |
| C26 | C24 | C25 | 110.5° | 109.5° |
| C26 | C24 | H8 | 108.1° | 109.5° |
| C24 | C26 | H12 | 109.5° | 109.5° |
| C24 | C26 | H13 | 109.5° | 109.4° |
| C24 | C26 | H14 | 109.5° | 109.5° |
| C3 | C2 | C1 | 102.3° | 106.8° |
| C2 | C3 | C4 | 102.4° | 106.9° |
| C2 | C3 | H2 | 128.8° | 126.6° |
| C2 | C1 | O5 | 117.4° | 108.4° |
| C2 | C1 | H1 | 121.3° | 125.7° |
| C3 | C4 | O5 | 118.1° | 108.4° |
| C3 | C4 | S9 | 123.3° | 125.8° |
| C4 | C3 | H2 | 128.8° | 126.6° |
| C20 | C19 | C18 | 119.9° | 120.1° |
| C19 | C20 | C21 | 120.6° | 120.1° |
| C20 | C19 | H6 | 120.0° | 120.0° |
| C19 | C18 | C24 | 118.3° | 120.0° |
| C19 | C18 | C17 | 119.4° | 119.9° |
| C18 | C19 | H6 | 120.1° | 120.0° |
| C20 | C21 | C22 | 121.1° | 120.0° |
| C20 | C21 | H7 | 119.4° | 120.0° |
| C1 | O5 | C4 | 99.9° | 109.5° |
| O5 | C1 | H1 | 121.3° | 125.8° |
| C18 | C24 | C25 | 107.6° | 109.5° |
| C24 | C18 | C17 | 122.3° | 120.0° |
| C18 | C24 | H8 | 108.3° | 109.4° |
| C25 | C24 | H8 | 108.2° | 109.5° |
| C24 | C25 | H9 | 109.5° | 109.5° |
| C24 | C25 | H10 | 109.5° | 109.5° |
| C24 | C25 | H11 | 109.5° | 109.5° |
| O16 | C14 | N15 | 120.2° | 120.0° |
| O16 | C14 | N10 | 121.8° | 120.0° |
| C18 | C17 | C22 | 121.2° | 119.9° |
| C18 | C17 | N15 | 115.0° | 120.0° |
| O5 | C4 | S9 | 118.6° | 125.8° |
| C4 | S9 | O12 | 108.8° | 106.4° |
| C4 | S9 | N10 | 102.5° | 107.2° |
| C4 | S9 | O11 | 107.9° | 106.4° |
| C21 | C22 | C17 | 117.6° | 119.9° |
| C21 | C22 | C27 | 116.9° | 120.0° |
| C22 | C21 | H7 | 119.5° | 120.0° |
| O12 | S9 | N10 | 110.5° | 106.4° |
| O12 | S9 | O11 | 120.5° | 123.2° |
| C22 | C17 | N15 | 123.4° | 120.1° |
| C17 | C22 | C27 | 125.5° | 120.0° |
| C17 | N15 | C14 | 120.7° | 120.0° |
| C17 | N15 | H27 | 119.6° | 120.0° |
| C22 | C27 | C28 | 109.4° | 109.5° |
| C22 | C27 | C29 | 109.0° | 109.5° |
| C22 | C27 | H15 | 110.4° | 109.5° |
| N15 | C14 | N10 | 117.9° | 120.0° |
| C14 | N15 | H27 | 119.7° | 120.0° |
| C14 | N10 | S9 | 126.2° | 120.0° |
| C14 | N10 | H26 | 116.9° | 120.0° |
| C28 | C27 | C29 | 107.2° | 109.5° |
| C28 | C27 | H15 | 110.4° | 109.5° |
| C27 | C28 | H16 | 109.5° | 109.5° |
| C27 | C28 | H17 | 109.4° | 109.5° |
| C27 | C28 | H18 | 109.5° | 109.5° |
| N10 | S9 | O11 | 105.0° | 106.4° |
| S9 | N10 | H26 | 116.9° | 120.0° |
| C29 | C27 | H15 | 110.4° | 109.5° |
| C27 | C29 | H19 | 109.5° | 109.5° |
| C27 | C29 | H20 | 109.5° | 109.5° |
| C27 | C29 | H21 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H9 | C25 | H10 | 109.5° | 109.4° |
| H9 | C25 | H11 | 109.5° | 109.4° |
| H10 | C25 | H11 | 109.4° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.4° |
| H12 | C26 | H14 | 109.4° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.4° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H16 | C28 | H18 | 109.5° | 109.4° |
| H17 | C28 | H18 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.4° |
| H19 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H23 | C8 | H24 | 109.5° | 109.4° |
| H23 | C8 | H25 | 109.5° | 109.5° |
| H24 | C8 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C6 | O7 | C8 | 116.7° | 120.0° |
| C13 | C6 | O7 | C2 | 121.2° | 119.9° |
| C13 | C6 | C8 | C2 | 121.9° | 119.9° |
| C13 | C6 | C2 | C3 | 81.6° | 150.0° |
| C13 | C6 | C2 | C1 | 96.2° | 30.0° |
| C6 | C13 | H3 | H4 | 120.0° | 120.0° |
| C6 | C13 | H3 | H5 | 120.0° | 120.0° |
| C6 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C6 | O7 | H22 | 180.0° | 59.9° |
| C13 | C6 | C8 | H23 | 180.0° | 60.0° |
| C13 | C6 | C8 | H24 | 60.0° | 180.0° |
| C13 | C6 | C8 | H25 | 60.0° | 60.0° |
| O7 | C6 | C8 | C2 | 120.5° | 120.0° |
| O7 | C6 | C2 | C3 | 39.4° | 30.0° |
| O7 | C6 | C2 | C1 | 142.7° | 150.0° |
| O7 | C6 | C13 | H3 | 180.0° | 60.0° |
| O7 | C6 | C13 | H4 | 60.0° | 60.0° |
| O7 | C6 | C13 | H5 | 60.0° | 180.0° |
| O7 | C6 | C8 | H23 | 62.3° | 60.0° |
| O7 | C6 | C8 | H24 | 177.7° | 60.0° |
| O7 | C6 | C8 | H25 | 57.7° | 180.0° |
| C8 | C6 | C2 | C3 | 157.4° | 90.0° |
| C8 | C6 | C2 | C1 | 24.8° | 89.9° |
| C8 | C6 | C13 | H3 | 64.9° | 180.0° |
| C8 | C6 | C13 | H4 | 175.1° | 60.0° |
| C8 | C6 | C13 | H5 | 55.1° | 59.9° |
| C8 | C6 | O7 | H22 | 63.3° | 179.9° |
| C6 | C8 | H23 | H24 | 120.0° | 120.0° |
| C6 | C8 | H23 | H25 | 120.0° | 120.0° |
| C6 | C8 | H24 | H25 | 120.0° | 120.1° |
| C6 | C2 | C3 | C1 | 178.3° | 180.0° |
| C6 | C2 | C3 | C4 | 178.4° | 180.0° |
| C6 | C2 | C1 | O5 | 178.6° | 180.0° |
| C6 | C2 | C1 | H1 | 1.4° | 0.3° |
| C6 | C2 | C3 | H2 | 1.6° | 0.0° |
| C2 | C6 | C13 | H3 | 58.7° | 60.0° |
| C2 | C6 | C13 | H4 | 61.3° | 180.0° |
| C2 | C6 | C13 | H5 | 178.7° | 60.0° |
| C2 | C6 | O7 | H22 | 58.8° | 60.0° |
| C2 | C6 | C8 | H23 | 58.1° | 180.0° |
| C2 | C6 | C8 | H24 | 61.9° | 60.0° |
| C2 | C6 | C8 | H25 | 178.1° | 60.0° |
| CL1 | C20 | C19 | C21 | 179.9° | 179.9° |
| CL1 | C20 | C19 | C18 | 179.1° | 180.0° |
| CL1 | C20 | C21 | C22 | 177.8° | 180.0° |
| CL1 | C20 | C19 | H6 | 0.9° | 0.0° |
| CL1 | C20 | C21 | H7 | 2.2° | 0.0° |
| C26 | C24 | C18 | C19 | 60.1° | 30.4° |
| C26 | C24 | C18 | C25 | 122.9° | 120.0° |
| C26 | C24 | C18 | H8 | 120.3° | 120.0° |
| C26 | C24 | C25 | H8 | 118.2° | 120.1° |
| C26 | C24 | C18 | C17 | 118.9° | 149.5° |
| C26 | C24 | C25 | H9 | 180.0° | 60.0° |
| C26 | C24 | C25 | H10 | 60.0° | 60.0° |
| C26 | C24 | C25 | H11 | 60.0° | 180.0° |
| C24 | C26 | H12 | H13 | 120.0° | 119.9° |
| C24 | C26 | H12 | H14 | 120.0° | 120.1° |
| C24 | C26 | H13 | H14 | 120.0° | 120.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | O5 | 0.3° | 0.0° |
| C2 | C3 | C4 | O5 | 0.0° | 0.0° |
| C2 | C3 | C4 | S9 | 179.2° | 180.0° |
| C3 | C2 | C1 | H1 | 179.7° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | O5 | H1 | 180.0° | 179.8° |
| C2 | C1 | O5 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C3 | C4 | O5 | C1 | 0.2° | 0.0° |
| C3 | C4 | O5 | S9 | 179.2° | 180.0° |
| C3 | C4 | S9 | O12 | 12.0° | 23.5° |
| C3 | C4 | S9 | N10 | 129.1° | 90.0° |
| C3 | C4 | S9 | O11 | 120.5° | 156.4° |
| C20 | C19 | C18 | H6 | 180.0° | 180.0° |
| C20 | C19 | C18 | C24 | 178.8° | 180.0° |
| C20 | C19 | C18 | C17 | 2.2° | 0.0° |
| C19 | C20 | C21 | C22 | 2.3° | 0.0° |
| C19 | C20 | C21 | H7 | 177.7° | 180.0° |
| C18 | C19 | C20 | C21 | 1.0° | 0.0° |
| C19 | C18 | C24 | C17 | 179.0° | 180.0° |
| C19 | C18 | C24 | C25 | 62.9° | 89.6° |
| C19 | C18 | C17 | C22 | 4.2° | 0.0° |
| C19 | C18 | C17 | N15 | 177.1° | 179.7° |
| C19 | C18 | C24 | H8 | 179.6° | 150.4° |
| C20 | C21 | C22 | H7 | 180.0° | 180.0° |
| C20 | C21 | C22 | C17 | 0.4° | 0.0° |
| C20 | C21 | C22 | C27 | 179.5° | 179.7° |
| C21 | C20 | C19 | H6 | 179.0° | 180.0° |
| C1 | O5 | C4 | S9 | 179.4° | 180.0° |
| C18 | C24 | C25 | H8 | 116.8° | 120.0° |
| C24 | C18 | C17 | C22 | 176.9° | 180.0° |
| C24 | C18 | C17 | N15 | 4.0° | 0.3° |
| C24 | C18 | C19 | H6 | 1.2° | 0.0° |
| C18 | C24 | C25 | H9 | 55.0° | 60.0° |
| C18 | C24 | C25 | H10 | 65.1° | 180.0° |
| C18 | C24 | C25 | H11 | 175.0° | 60.0° |
| C18 | C24 | C26 | H12 | 180.0° | 60.1° |
| C18 | C24 | C26 | H13 | 60.0° | 180.0° |
| C18 | C24 | C26 | H14 | 60.0° | 60.0° |
| C25 | C24 | C18 | C17 | 118.2° | 90.5° |
| C24 | C25 | H9 | H10 | 120.0° | 120.0° |
| C24 | C25 | H9 | H11 | 120.0° | 120.0° |
| C24 | C25 | H10 | H11 | 120.0° | 120.1° |
| C25 | C24 | C26 | H12 | 58.7° | 180.0° |
| C25 | C24 | C26 | H13 | 61.3° | 60.0° |
| C25 | C24 | C26 | H14 | 178.7° | 59.9° |
| O16 | C14 | N15 | C17 | 5.7° | 5.6° |
| O16 | C14 | N15 | N10 | 176.8° | 180.0° |
| O16 | C14 | N10 | S9 | 5.0° | 0.0° |
| O16 | C14 | N10 | H26 | 175.0° | 180.0° |
| O16 | C14 | N15 | H27 | 174.3° | 174.4° |
| C18 | C17 | C22 | C21 | 2.8° | 0.0° |
| C18 | C17 | C22 | N15 | 172.3° | 179.7° |
| C18 | C17 | C22 | C27 | 177.3° | 179.7° |
| C18 | C17 | N15 | C14 | 70.4° | 63.0° |
| C17 | C18 | C19 | H6 | 177.8° | 180.0° |
| C17 | C18 | C24 | H8 | 1.4° | 29.5° |
| C18 | C17 | N15 | H27 | 109.6° | 117.0° |
| O5 | C4 | S9 | O12 | 168.9° | 156.4° |
| O5 | C4 | S9 | N10 | 51.8° | 90.0° |
| O5 | C4 | S9 | O11 | 58.7° | 23.5° |
| C4 | O5 | C1 | H1 | 179.7° | 179.7° |
| O5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | S9 | O12 | N10 | 111.8° | 114.1° |
| C4 | S9 | O12 | O11 | 125.4° | 122.9° |
| C4 | S9 | N10 | C14 | 58.9° | 65.0° |
| C4 | S9 | N10 | O11 | 112.7° | 113.5° |
| S9 | C4 | C3 | H2 | 0.8° | 0.0° |
| C4 | S9 | N10 | H26 | 121.1° | 115.0° |
| C21 | C22 | C17 | C27 | 179.9° | 179.8° |
| C21 | C22 | C17 | N15 | 175.1° | 179.7° |
| C21 | C22 | C27 | C28 | 45.6° | 60.2° |
| C21 | C22 | C27 | C29 | 71.3° | 59.8° |
| C21 | C22 | C27 | H15 | 167.3° | 179.8° |
| O12 | S9 | N10 | C14 | 57.0° | 178.5° |
| O12 | S9 | N10 | O11 | 131.4° | 133.0° |
| O12 | S9 | N10 | H26 | 123.0° | 1.5° |
| C22 | C17 | N15 | C14 | 116.8° | 117.3° |
| C17 | C22 | C27 | C28 | 134.3° | 120.0° |
| C17 | C22 | C27 | C29 | 108.8° | 120.0° |
| C17 | C22 | C21 | H7 | 179.6° | 180.0° |
| C17 | C22 | C27 | H15 | 12.6° | 0.0° |
| C22 | C17 | N15 | H27 | 63.2° | 62.7° |
| N15 | C17 | C22 | C27 | 5.0° | 0.0° |
| C17 | N15 | C14 | H27 | 180.0° | 180.0° |
| C17 | N15 | C14 | N10 | 177.4° | 174.4° |
| C22 | C27 | C28 | C29 | 118.0° | 120.0° |
| C22 | C27 | C28 | H15 | 121.7° | 120.0° |
| C22 | C27 | C29 | H15 | 121.5° | 120.0° |
| C27 | C22 | C21 | H7 | 0.5° | 0.3° |
| C22 | C27 | C28 | H16 | 180.0° | 60.0° |
| C22 | C27 | C28 | H17 | 60.0° | 180.0° |
| C22 | C27 | C28 | H18 | 60.0° | 60.0° |
| C22 | C27 | C29 | H19 | 180.0° | 180.0° |
| C22 | C27 | C29 | H20 | 60.0° | 60.0° |
| C22 | C27 | C29 | H21 | 60.0° | 60.0° |
| N15 | C14 | N10 | S9 | 178.2° | 180.0° |
| N15 | C14 | N10 | H26 | 1.8° | 0.0° |
| C14 | N10 | S9 | H26 | 180.0° | 180.0° |
| C14 | N10 | S9 | O11 | 171.5° | 48.5° |
| N10 | C14 | N15 | H27 | 2.6° | 5.6° |
| C28 | C27 | C29 | H15 | 120.3° | 120.0° |
| C27 | C28 | H16 | H17 | 120.0° | 120.0° |
| C27 | C28 | H16 | H18 | 120.0° | 120.0° |
| C27 | C28 | H17 | H18 | 120.0° | 120.0° |
| C28 | C27 | C29 | H19 | 61.8° | 59.9° |
| C28 | C27 | C29 | H20 | 58.3° | 60.0° |
| C28 | C27 | C29 | H21 | 178.3° | 180.0° |
| O11 | S9 | N10 | H26 | 8.5° | 131.5° |
| C29 | C27 | C28 | H16 | 62.0° | 60.0° |
| C29 | C27 | C28 | H17 | 178.0° | 60.0° |
| C29 | C27 | C28 | H18 | 58.0° | 180.0° |
| C27 | C29 | H19 | H20 | 120.0° | 120.0° |
| C27 | C29 | H19 | H21 | 120.0° | 120.0° |
| C27 | C29 | H20 | H21 | 120.0° | 120.1° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H8 | C24 | C25 | H9 | 61.8° | 180.0° |
| H8 | C24 | C25 | H10 | 178.2° | 60.1° |
| H8 | C24 | C25 | H11 | 58.2° | 60.0° |
| H8 | C24 | C26 | H12 | 59.5° | 59.9° |
| H8 | C24 | C26 | H13 | 179.6° | 60.0° |
| H8 | C24 | C26 | H14 | 60.4° | 180.0° |
| H9 | C25 | H10 | H11 | 120.0° | 119.9° |
| H12 | C26 | H13 | H14 | 120.0° | 120.0° |
| H15 | C27 | C28 | H16 | 58.3° | 180.0° |
| H15 | C27 | C28 | H17 | 61.7° | 60.0° |
| H15 | C27 | C28 | H18 | 178.3° | 60.0° |
| H15 | C27 | C29 | H19 | 58.5° | 60.0° |
| H15 | C27 | C29 | H20 | 178.5° | 180.0° |
| H15 | C27 | C29 | H21 | 61.5° | 60.0° |
| H16 | C28 | H17 | H18 | 120.0° | 120.0° |
| H19 | C29 | H20 | H21 | 120.0° | 120.0° |
| H23 | C8 | H24 | H25 | 120.0° | 119.9° |
