RHI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.44Å | |
| O3 | S | doub | 1.42Å | 1.44Å | |
| S | C11 | sing | 1.76Å | 1.77Å | |
| S | C15 | sing | 1.81Å | 1.75Å | |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
| C9 | C14 | sing | 1.42Å | 1.43Å | Aromatic |
| N3 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.42Å | |
| N2 | C5 | sing | 1.35Å | 1.36Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C16 | sing | 1.51Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| N1 | C22 | sing | 1.47Å | 1.47Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| N | C | sing | 1.46Å | 1.45Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | CL | sing | 1.74Å | 1.74Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O3 | 118.2° | 121.0° |
| O2 | S | C11 | 108.2° | 104.3° |
| O2 | S | C15 | 108.6° | 110.6° |
| O3 | S | C11 | 108.3° | 104.2° |
| O3 | S | C15 | 108.5° | 110.6° |
| C11 | S | C15 | 104.2° | 104.5° |
| S | C11 | C10 | 119.0° | 119.5° |
| S | C11 | C12 | 119.4° | 119.5° |
| S | C15 | H7 | 109.5° | 109.5° |
| S | C15 | H8 | 109.5° | 109.4° |
| S | C15 | H9 | 109.4° | 109.5° |
| C11 | C10 | C9 | 119.9° | 119.5° |
| C10 | C11 | C12 | 121.6° | 121.1° |
| C11 | C10 | H5 | 120.0° | 120.2° |
| C10 | C9 | C8 | 123.2° | 122.0° |
| C10 | C9 | C14 | 119.1° | 119.3° |
| C9 | C10 | H5 | 120.1° | 120.3° |
| C11 | C12 | C13 | 119.9° | 121.0° |
| C11 | C12 | H24 | 120.0° | 119.5° |
| C9 | C8 | N3 | 124.2° | 120.2° |
| C8 | C9 | C14 | 117.6° | 118.7° |
| C9 | C8 | H4 | 117.9° | 119.9° |
| C8 | N3 | C7 | 117.5° | 122.9° |
| N3 | C8 | H4 | 117.9° | 119.9° |
| C9 | C14 | C13 | 118.2° | 119.7° |
| C9 | C14 | C6 | 118.2° | 118.2° |
| N3 | C7 | C6 | 125.2° | 121.6° |
| N3 | C7 | H3 | 117.4° | 119.3° |
| C12 | C13 | C14 | 121.3° | 119.5° |
| C12 | C13 | H6 | 119.3° | 120.2° |
| C13 | C12 | H24 | 120.0° | 119.5° |
| C13 | C14 | C6 | 123.5° | 122.2° |
| C14 | C13 | H6 | 119.4° | 120.3° |
| C14 | C6 | C7 | 117.2° | 118.4° |
| C14 | C6 | N2 | 118.5° | 120.8° |
| C7 | C6 | N2 | 124.1° | 120.8° |
| C6 | C7 | H3 | 117.4° | 119.1° |
| C6 | N2 | C5 | 128.1° | 120.1° |
| C6 | N2 | H23 | 115.9° | 120.0° |
| N2 | C5 | C4 | 114.6° | 120.0° |
| N2 | C5 | O1 | 123.2° | 120.0° |
| C5 | N2 | H23 | 115.9° | 120.0° |
| C4 | C5 | O1 | 122.1° | 120.0° |
| C5 | C4 | C3 | 108.6° | 109.3° |
| C5 | C4 | C16 | 107.9° | 109.4° |
| C5 | C4 | H2 | 110.0° | 109.4° |
| C4 | C3 | N1 | 108.4° | 108.5° |
| C3 | C4 | C16 | 110.1° | 110.0° |
| C3 | C4 | H2 | 110.0° | 109.4° |
| C4 | C3 | H21 | 109.8° | 109.7° |
| C4 | C3 | H22 | 109.7° | 109.7° |
| C3 | N1 | C2 | 114.5° | 111.0° |
| C3 | N1 | C22 | 111.0° | 110.3° |
| N1 | C3 | H21 | 109.7° | 109.6° |
| N1 | C3 | H22 | 109.7° | 109.6° |
| C4 | C16 | C17 | 120.7° | 118.5° |
| C4 | C16 | C21 | 119.7° | 121.7° |
| C16 | C4 | H2 | 110.2° | 109.4° |
| N1 | C2 | C1 | 113.7° | 109.5° |
| C2 | N1 | C22 | 114.3° | 111.0° |
| N1 | C2 | H15 | 108.4° | 109.5° |
| N1 | C2 | H16 | 108.4° | 109.5° |
| C2 | C1 | O | 120.3° | 120.0° |
| C2 | C1 | N | 117.4° | 120.0° |
| C1 | C2 | H15 | 108.4° | 109.5° |
| C1 | C2 | H16 | 108.4° | 109.4° |
| O | C1 | N | 122.3° | 120.0° |
| N1 | C22 | C21 | 112.3° | 110.5° |
| N1 | C22 | H12 | 108.8° | 109.3° |
| N1 | C22 | H13 | 108.8° | 109.3° |
| C1 | N | C | 122.3° | 120.0° |
| C1 | N | H17 | 118.9° | 120.0° |
| C | N | H17 | 118.8° | 120.0° |
| N | C | H18 | 109.5° | 109.4° |
| N | C | H19 | 109.4° | 109.5° |
| N | C | H20 | 109.5° | 109.5° |
| C17 | C16 | C21 | 119.5° | 119.8° |
| C16 | C17 | C18 | 119.6° | 120.4° |
| C16 | C17 | H10 | 120.2° | 119.8° |
| C16 | C21 | C22 | 121.5° | 121.8° |
| C16 | C21 | C20 | 119.1° | 119.8° |
| C17 | C18 | CL | 119.1° | 120.1° |
| C17 | C18 | C19 | 121.6° | 119.7° |
| C18 | C17 | H10 | 120.2° | 119.8° |
| C22 | C21 | C20 | 119.4° | 118.4° |
| C21 | C22 | H12 | 108.8° | 109.3° |
| C21 | C22 | H13 | 108.7° | 109.2° |
| C21 | C20 | C19 | 121.1° | 120.4° |
| C21 | C20 | H11 | 119.5° | 119.8° |
| CL | C18 | C19 | 119.2° | 120.1° |
| C18 | C19 | C20 | 119.0° | 119.9° |
| C18 | C19 | H14 | 120.5° | 120.0° |
| C19 | C20 | H11 | 119.4° | 119.8° |
| C20 | C19 | H14 | 120.5° | 120.1° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.4° |
| H12 | C22 | H13 | 109.5° | 109.2° |
| H15 | C2 | H16 | 109.4° | 109.5° |
| H18 | C | H19 | 109.5° | 109.4° |
| H18 | C | H20 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O3 | C11 | 123.4° | 116.7° |
| O2 | S | O3 | C15 | 124.0° | 131.6° |
| O2 | S | C11 | C15 | 115.4° | 116.1° |
| O2 | S | C11 | C10 | 133.2° | 26.1° |
| O2 | S | C11 | C12 | 46.6° | 153.9° |
| O2 | S | C15 | H7 | 180.0° | 171.6° |
| O2 | S | C15 | H8 | 60.0° | 68.3° |
| O2 | S | C15 | H9 | 60.0° | 51.6° |
| O3 | S | C11 | C15 | 115.3° | 116.1° |
| O3 | S | C11 | C10 | 3.9° | 154.0° |
| O3 | S | C11 | C12 | 175.9° | 26.1° |
| O3 | S | C15 | H7 | 50.4° | 51.6° |
| O3 | S | C15 | H8 | 69.6° | 68.4° |
| O3 | S | C15 | H9 | 170.4° | 171.7° |
| S | C11 | C10 | C12 | 179.8° | 179.9° |
| S | C11 | C10 | C9 | 179.4° | 180.0° |
| S | C11 | C12 | C13 | 179.3° | 180.0° |
| S | C11 | C10 | H5 | 0.6° | 0.1° |
| C11 | S | C15 | H7 | 64.8° | 60.0° |
| C11 | S | C15 | H8 | 175.2° | 180.0° |
| C11 | S | C15 | H9 | 55.2° | 60.1° |
| S | C11 | C12 | H24 | 0.7° | 0.0° |
| C15 | S | C11 | C10 | 111.4° | 90.0° |
| C15 | S | C11 | C12 | 68.8° | 90.0° |
| S | C15 | H7 | H8 | 120.0° | 120.0° |
| S | C15 | H7 | H9 | 120.0° | 120.0° |
| S | C15 | H8 | H9 | 120.0° | 119.9° |
| C11 | C10 | C9 | H5 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 178.8° | 180.0° |
| C11 | C10 | C9 | C14 | 0.2° | 0.1° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H24 | 179.5° | 179.9° |
| C9 | C10 | C11 | C12 | 0.4° | 0.1° |
| C10 | C9 | C8 | C14 | 178.6° | 180.0° |
| C10 | C9 | C8 | N3 | 178.4° | 179.9° |
| C10 | C9 | C14 | C13 | 0.1° | 0.0° |
| C10 | C9 | C14 | C6 | 177.6° | 180.0° |
| C10 | C9 | C8 | H4 | 1.6° | 0.0° |
| C11 | C12 | C13 | H24 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C12 | C11 | C10 | H5 | 179.6° | 179.9° |
| C11 | C12 | C13 | H6 | 179.6° | 180.0° |
| C9 | C8 | N3 | H4 | 180.0° | 180.0° |
| C9 | C8 | N3 | C7 | 0.3° | 0.0° |
| C8 | C9 | C14 | C13 | 178.8° | 180.0° |
| C8 | C9 | C14 | C6 | 1.1° | 0.0° |
| C8 | C9 | C10 | H5 | 1.2° | 0.1° |
| N3 | C8 | C9 | C14 | 0.2° | 0.0° |
| C8 | N3 | C7 | C6 | 0.1° | 0.0° |
| C8 | N3 | C7 | H3 | 179.9° | 180.0° |
| C9 | C14 | C13 | C12 | 0.2° | 0.0° |
| C9 | C14 | C13 | C6 | 177.6° | 180.0° |
| C9 | C14 | C6 | C7 | 1.5° | 0.0° |
| C9 | C14 | C6 | N2 | 175.3° | 179.9° |
| C14 | C9 | C8 | H4 | 179.8° | 180.0° |
| C14 | C9 | C10 | H5 | 179.8° | 179.9° |
| C9 | C14 | C13 | H6 | 179.8° | 180.0° |
| N3 | C7 | C6 | C14 | 1.0° | 0.0° |
| N3 | C7 | C6 | H3 | 180.0° | 180.0° |
| N3 | C7 | C6 | N2 | 175.5° | 180.0° |
| C7 | N3 | C8 | H4 | 179.7° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | C6 | 177.4° | 180.0° |
| C13 | C14 | C6 | C7 | 179.0° | 180.0° |
| C13 | C14 | C6 | N2 | 2.3° | 0.0° |
| C14 | C13 | C12 | H24 | 179.6° | 180.0° |
| C14 | C6 | C7 | N2 | 176.6° | 180.0° |
| C14 | C6 | N2 | C5 | 93.5° | 145.4° |
| C14 | C6 | C7 | H3 | 179.0° | 180.0° |
| C6 | C14 | C13 | H6 | 2.6° | 0.0° |
| C14 | C6 | N2 | H23 | 86.5° | 34.7° |
| C7 | C6 | N2 | C5 | 83.0° | 34.6° |
| C7 | C6 | N2 | H23 | 97.0° | 145.4° |
| C6 | N2 | C5 | H23 | 180.0° | 180.0° |
| C6 | N2 | C5 | C4 | 177.8° | 175.6° |
| C6 | N2 | C5 | O1 | 1.0° | 4.4° |
| N2 | C6 | C7 | H3 | 4.5° | 0.0° |
| N2 | C5 | C4 | O1 | 176.8° | 180.0° |
| N2 | C5 | C4 | C3 | 85.1° | 179.5° |
| N2 | C5 | C4 | C16 | 155.6° | 60.0° |
| N2 | C5 | C4 | H2 | 35.4° | 59.8° |
| C5 | C4 | C3 | C16 | 118.0° | 120.1° |
| C5 | C4 | C3 | H2 | 120.4° | 119.7° |
| C5 | C4 | C3 | N1 | 62.1° | 69.7° |
| C5 | C4 | C16 | H2 | 120.1° | 119.8° |
| C5 | C4 | C16 | C17 | 82.9° | 76.7° |
| C5 | C4 | C16 | C21 | 93.5° | 103.1° |
| C5 | C4 | C3 | H21 | 57.7° | 170.6° |
| C5 | C4 | C3 | H22 | 178.1° | 50.0° |
| C4 | C5 | N2 | H23 | 2.2° | 4.4° |
| O1 | C5 | C4 | C3 | 91.8° | 0.5° |
| O1 | C5 | C4 | C16 | 27.6° | 120.0° |
| O1 | C5 | C4 | H2 | 147.8° | 120.2° |
| O1 | C5 | N2 | H23 | 179.0° | 175.5° |
| C4 | C3 | N1 | H21 | 119.8° | 119.7° |
| C4 | C3 | N1 | H22 | 119.8° | 119.7° |
| C3 | C4 | C16 | H2 | 121.5° | 120.1° |
| C4 | C3 | N1 | C2 | 159.0° | 165.3° |
| C4 | C3 | N1 | C22 | 69.7° | 71.3° |
| C3 | C4 | C16 | C17 | 158.7° | 163.2° |
| C3 | C4 | C16 | C21 | 24.9° | 16.9° |
| C4 | C3 | H21 | H22 | 120.5° | 120.6° |
| N1 | C3 | C4 | C16 | 55.9° | 50.4° |
| C3 | N1 | C2 | C22 | 129.6° | 123.0° |
| C3 | N1 | C2 | C1 | 131.8° | 171.0° |
| C3 | N1 | C22 | C21 | 48.0° | 52.5° |
| N1 | C3 | C4 | H2 | 177.4° | 170.6° |
| C3 | N1 | C22 | H12 | 168.4° | 172.8° |
| C3 | N1 | C22 | H13 | 72.5° | 67.7° |
| C3 | N1 | C2 | H15 | 11.2° | 51.0° |
| C3 | N1 | C2 | H16 | 107.6° | 69.1° |
| N1 | C3 | H21 | H22 | 120.5° | 120.4° |
| C4 | C16 | C17 | C21 | 176.4° | 179.9° |
| C4 | C16 | C17 | C18 | 173.7° | 179.8° |
| C4 | C16 | C21 | C22 | 5.2° | 0.4° |
| C4 | C16 | C21 | C20 | 174.6° | 179.7° |
| C4 | C16 | C17 | H10 | 6.3° | 0.2° |
| C16 | C4 | C3 | H21 | 175.7° | 69.3° |
| C16 | C4 | C3 | H22 | 64.0° | 170.1° |
| N1 | C2 | C1 | H15 | 120.6° | 120.0° |
| N1 | C2 | C1 | H16 | 120.7° | 120.0° |
| N1 | C2 | C1 | O | 175.8° | 0.0° |
| N1 | C2 | C1 | N | 5.1° | 180.0° |
| C2 | N1 | C22 | C21 | 179.3° | 175.9° |
| C2 | N1 | C22 | H12 | 60.3° | 63.8° |
| C2 | N1 | C22 | H13 | 58.9° | 55.7° |
| N1 | C2 | H15 | H16 | 118.1° | 120.1° |
| C2 | N1 | C3 | H21 | 39.2° | 75.0° |
| C2 | N1 | C3 | H22 | 81.2° | 45.6° |
| C2 | C1 | O | N | 179.0° | 180.0° |
| C1 | C2 | N1 | C22 | 98.6° | 66.1° |
| C2 | C1 | N | C | 175.7° | 180.0° |
| C1 | C2 | H15 | H16 | 118.0° | 119.9° |
| C2 | C1 | N | H17 | 4.3° | 0.0° |
| O | C1 | N | C | 3.3° | 0.0° |
| O | C1 | C2 | H15 | 63.5° | 120.0° |
| O | C1 | C2 | H16 | 55.2° | 120.0° |
| O | C1 | N | H17 | 176.7° | 179.9° |
| N1 | C22 | C21 | C16 | 15.7° | 17.5° |
| N1 | C22 | C21 | H12 | 120.4° | 120.3° |
| N1 | C22 | C21 | H13 | 120.5° | 120.3° |
| N1 | C22 | C21 | C20 | 164.1° | 162.7° |
| N1 | C22 | H12 | H13 | 118.7° | 119.5° |
| C22 | N1 | C2 | H15 | 140.8° | 174.0° |
| C22 | N1 | C2 | H16 | 22.1° | 53.9° |
| C22 | N1 | C3 | H21 | 170.4° | 48.4° |
| C22 | N1 | C3 | H22 | 50.0° | 169.0° |
| C1 | N | C | H17 | 180.0° | 179.9° |
| N | C1 | C2 | H15 | 115.6° | 60.0° |
| N | C1 | C2 | H16 | 125.8° | 60.0° |
| C1 | N | C | H18 | 180.0° | 60.0° |
| C1 | N | C | H19 | 60.0° | 60.0° |
| C1 | N | C | H20 | 60.0° | 180.0° |
| N | C | H18 | H19 | 120.0° | 120.0° |
| N | C | H18 | H20 | 120.0° | 120.0° |
| N | C | H19 | H20 | 120.0° | 120.1° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C17 | C16 | C21 | C22 | 178.3° | 179.7° |
| C17 | C16 | C21 | C20 | 1.8° | 0.2° |
| C16 | C17 | C18 | CL | 176.4° | 180.0° |
| C16 | C17 | C18 | C19 | 1.7° | 0.0° |
| C17 | C16 | C4 | H2 | 37.2° | 43.1° |
| C21 | C16 | C17 | C18 | 2.8° | 0.1° |
| C16 | C21 | C22 | C20 | 179.9° | 179.8° |
| C16 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | C16 | C4 | H2 | 146.4° | 137.0° |
| C21 | C16 | C17 | H10 | 177.2° | 179.9° |
| C16 | C21 | C20 | H11 | 179.7° | 179.9° |
| C16 | C21 | C22 | H12 | 136.2° | 137.8° |
| C16 | C21 | C22 | H13 | 104.7° | 102.8° |
| C17 | C18 | CL | C19 | 178.1° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.1° |
| C17 | C18 | C19 | H14 | 179.5° | 179.9° |
| C22 | C21 | C20 | C19 | 179.6° | 179.7° |
| C22 | C21 | C20 | H11 | 0.4° | 0.2° |
| C21 | C22 | H12 | H13 | 118.7° | 119.5° |
| C21 | C20 | C19 | C18 | 1.4° | 0.0° |
| C21 | C20 | C19 | H11 | 180.0° | 179.9° |
| C20 | C21 | C22 | H12 | 43.7° | 42.4° |
| C20 | C21 | C22 | H13 | 75.4° | 77.1° |
| C21 | C20 | C19 | H14 | 178.6° | 180.0° |
| CL | C18 | C19 | C20 | 178.5° | 179.9° |
| CL | C18 | C17 | H10 | 3.6° | 0.0° |
| CL | C18 | C19 | H14 | 1.5° | 0.1° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C19 | C18 | C17 | H10 | 178.3° | 180.0° |
| C18 | C19 | C20 | H11 | 178.6° | 179.9° |
| H2 | C4 | C3 | H21 | 62.8° | 50.9° |
| H2 | C4 | C3 | H22 | 57.6° | 69.8° |
| H6 | C13 | C12 | H24 | 0.4° | 0.0° |
| H7 | C15 | H8 | H9 | 120.0° | 120.0° |
| H11 | C20 | C19 | H14 | 1.4° | 0.1° |
| H17 | N | C | H18 | 0.0° | 120.1° |
| H17 | N | C | H19 | 120.0° | 120.0° |
| H17 | N | C | H20 | 120.0° | 0.1° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
