RCX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C4 | sing | 1.35Å | 1.33Å | |
| O5 | C3 | sing | 1.45Å | 1.32Å | |
| O6 | C4 | doub | 1.22Å | 1.40Å | |
| C4 | C1 | sing | 1.47Å | 1.41Å | |
| C3 | C2 | sing | 1.51Å | 1.40Å | |
| C1 | C2 | doub | 1.36Å | 1.44Å | |
| C1 | C7 | sing | 1.48Å | 1.56Å | |
| C2 | C13 | sing | 1.47Å | 1.50Å | |
| C12 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | S19 | sing | 1.76Å | 1.78Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| O20 | S19 | doub | 1.42Å | 1.51Å | |
| S19 | O21 | doub | 1.42Å | 1.52Å | |
| S19 | C22 | sing | 1.81Å | 1.78Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | O5 | C3 | 110.7° | 108.2° |
| O5 | C4 | O6 | 124.6° | 124.9° |
| O5 | C4 | C1 | 109.8° | 110.1° |
| O5 | C3 | C2 | 109.1° | 106.2° |
| O5 | C3 | H2 | 109.6° | 110.1° |
| O5 | C3 | H1 | 109.6° | 110.1° |
| O6 | C4 | C1 | 125.6° | 124.9° |
| C4 | C1 | C2 | 104.1° | 108.9° |
| C4 | C1 | C7 | 126.7° | 125.6° |
| C3 | C2 | C1 | 106.3° | 106.5° |
| C3 | C2 | C13 | 124.4° | 126.8° |
| C2 | C3 | H2 | 109.6° | 110.2° |
| C2 | C3 | H1 | 109.6° | 110.1° |
| C2 | C1 | C7 | 129.2° | 125.5° |
| C1 | C2 | C13 | 129.3° | 126.7° |
| C1 | C7 | C12 | 120.7° | 120.2° |
| C1 | C7 | C8 | 121.2° | 120.1° |
| C2 | C13 | C18 | 116.3° | 120.2° |
| C2 | C13 | C14 | 123.1° | 120.2° |
| C7 | C12 | C11 | 121.4° | 119.9° |
| C12 | C7 | C8 | 118.2° | 119.7° |
| C7 | C12 | H7 | 119.3° | 120.1° |
| C12 | C11 | C10 | 120.2° | 120.1° |
| C12 | C11 | H6 | 119.9° | 119.9° |
| C11 | C12 | H7 | 119.3° | 120.1° |
| C18 | C13 | C14 | 120.6° | 119.6° |
| C13 | C18 | C17 | 120.1° | 119.8° |
| C13 | C18 | H11 | 119.9° | 120.1° |
| C13 | C14 | C15 | 119.4° | 119.8° |
| C13 | C14 | H8 | 120.3° | 120.1° |
| C7 | C8 | C9 | 120.6° | 119.9° |
| C7 | C8 | H3 | 119.7° | 120.1° |
| C18 | C17 | C16 | 120.0° | 120.2° |
| C18 | C17 | H10 | 120.0° | 119.9° |
| C17 | C18 | H11 | 119.9° | 120.1° |
| C11 | C10 | C9 | 118.9° | 120.3° |
| C11 | C10 | H5 | 120.6° | 119.8° |
| C10 | C11 | H6 | 119.9° | 120.0° |
| C14 | C15 | C16 | 119.8° | 120.2° |
| C15 | C14 | H8 | 120.3° | 120.1° |
| C14 | C15 | H9 | 120.1° | 119.9° |
| C17 | C16 | C15 | 120.1° | 120.4° |
| C17 | C16 | S19 | 117.0° | 119.8° |
| C16 | C17 | H10 | 120.0° | 119.9° |
| C8 | C9 | C10 | 120.8° | 120.1° |
| C9 | C8 | H3 | 119.7° | 120.1° |
| C8 | C9 | H4 | 119.6° | 119.9° |
| C15 | C16 | S19 | 122.9° | 119.8° |
| C16 | C15 | H9 | 120.1° | 119.9° |
| C16 | S19 | O20 | 109.9° | 104.3° |
| C16 | S19 | O21 | 107.4° | 104.2° |
| C16 | S19 | C22 | 111.6° | 104.5° |
| C10 | C9 | H4 | 119.6° | 120.0° |
| C9 | C10 | H5 | 120.5° | 119.9° |
| O20 | S19 | O21 | 110.7° | 121.1° |
| O20 | S19 | C22 | 108.6° | 110.5° |
| O21 | S19 | C22 | 108.7° | 110.6° |
| S19 | C22 | H12 | 109.5° | 109.5° |
| S19 | C22 | H13 | 109.5° | 109.5° |
| S19 | C22 | H14 | 109.5° | 109.5° |
| H2 | C3 | H1 | 109.5° | 110.1° |
| H12 | C22 | H13 | 109.5° | 109.4° |
| H12 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C4 | O6 | C1 | 179.5° | 179.6° |
| C4 | O5 | C3 | C2 | 0.4° | 0.2° |
| O5 | C4 | C1 | C2 | 0.4° | 0.4° |
| O5 | C4 | C1 | C7 | 179.9° | 179.9° |
| C4 | O5 | C3 | H2 | 119.6° | 119.5° |
| C4 | O5 | C3 | H1 | 120.3° | 119.0° |
| C3 | O5 | C4 | O6 | 179.5° | 180.0° |
| C3 | O5 | C4 | C1 | 0.0° | 0.3° |
| O5 | C3 | C2 | H2 | 120.0° | 119.3° |
| O5 | C3 | C2 | H1 | 119.9° | 119.2° |
| O5 | C3 | C2 | C1 | 0.6° | 0.1° |
| O5 | C3 | C2 | C13 | 179.1° | 180.0° |
| O5 | C3 | H2 | H1 | 120.2° | 121.6° |
| O6 | C4 | C1 | C2 | 179.1° | 179.9° |
| O6 | C4 | C1 | C7 | 0.6° | 0.2° |
| C4 | C1 | C2 | C3 | 0.6° | 0.3° |
| C4 | C1 | C2 | C7 | 179.7° | 179.8° |
| C4 | C1 | C2 | C13 | 179.0° | 179.8° |
| C4 | C1 | C7 | C12 | 44.1° | 114.4° |
| C4 | C1 | C7 | C8 | 134.4° | 65.2° |
| C3 | C2 | C1 | C13 | 178.4° | 179.9° |
| C3 | C2 | C1 | C7 | 179.7° | 180.0° |
| C3 | C2 | C13 | C18 | 37.8° | 65.1° |
| C3 | C2 | C13 | C14 | 141.3° | 115.2° |
| C2 | C3 | H2 | H1 | 120.2° | 121.6° |
| C2 | C1 | C7 | C12 | 135.5° | 65.3° |
| C1 | C2 | C13 | C18 | 140.3° | 115.0° |
| C1 | C2 | C13 | C14 | 40.6° | 64.8° |
| C2 | C1 | C7 | C8 | 45.9° | 115.0° |
| C1 | C2 | C3 | H2 | 119.3° | 119.2° |
| C1 | C2 | C3 | H1 | 120.6° | 119.2° |
| C7 | C1 | C2 | C13 | 1.3° | 0.1° |
| C1 | C7 | C12 | C8 | 178.6° | 179.7° |
| C1 | C7 | C12 | C11 | 179.2° | 179.7° |
| C1 | C7 | C8 | C9 | 179.2° | 180.0° |
| C1 | C7 | C8 | H3 | 0.8° | 0.1° |
| C1 | C7 | C12 | H7 | 0.8° | 0.1° |
| C2 | C13 | C18 | C14 | 179.1° | 179.8° |
| C2 | C13 | C18 | C17 | 179.9° | 179.7° |
| C2 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | C2 | C3 | H2 | 59.1° | 60.7° |
| C2 | C13 | C14 | H8 | 0.3° | 0.0° |
| C2 | C13 | C18 | H11 | 0.1° | 0.0° |
| C13 | C2 | C3 | H1 | 61.0° | 60.8° |
| C7 | C12 | C11 | H7 | 180.0° | 179.6° |
| C7 | C12 | C11 | C10 | 0.3° | 0.7° |
| C12 | C7 | C8 | C9 | 0.6° | 0.3° |
| C12 | C7 | C8 | H3 | 179.4° | 179.7° |
| C7 | C12 | C11 | H6 | 179.7° | 179.7° |
| C11 | C12 | C7 | C8 | 0.6° | 0.7° |
| C12 | C11 | C10 | H6 | 180.0° | 179.6° |
| C12 | C11 | C10 | C9 | 0.0° | 0.3° |
| C12 | C11 | C10 | H5 | 180.0° | 179.7° |
| C13 | C18 | C17 | H11 | 180.0° | 179.7° |
| C18 | C13 | C14 | C15 | 0.6° | 0.2° |
| C13 | C18 | C17 | C16 | 0.6° | 0.5° |
| C18 | C13 | C14 | H8 | 179.4° | 179.8° |
| C13 | C18 | C17 | H10 | 179.4° | 179.7° |
| C14 | C13 | C18 | C17 | 0.9° | 0.5° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H9 | 179.8° | 180.0° |
| C14 | C13 | C18 | H11 | 179.1° | 179.8° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H4 | 179.6° | 179.9° |
| C8 | C7 | C12 | H7 | 179.4° | 179.7° |
| C18 | C17 | C16 | H10 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C18 | C17 | C16 | S19 | 179.9° | 179.7° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | H4 | 179.9° | 179.9° |
| C10 | C11 | C12 | H7 | 179.7° | 179.7° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | S19 | 179.8° | 180.0° |
| C17 | C16 | C15 | S19 | 179.8° | 180.0° |
| C17 | C16 | S19 | O20 | 94.4° | 26.1° |
| C17 | C16 | S19 | O21 | 26.1° | 153.9° |
| C17 | C16 | S19 | C22 | 145.1° | 90.0° |
| C17 | C16 | C15 | H9 | 179.5° | 180.0° |
| C16 | C17 | C18 | H11 | 179.4° | 179.8° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C15 | C16 | S19 | O20 | 85.4° | 154.0° |
| C15 | C16 | S19 | O21 | 154.1° | 26.1° |
| C15 | C16 | S19 | C22 | 35.2° | 90.0° |
| C16 | C15 | C14 | H8 | 179.9° | 180.0° |
| C15 | C16 | C17 | H10 | 179.9° | 180.0° |
| C16 | S19 | O20 | O21 | 118.4° | 116.7° |
| C16 | S19 | O20 | C22 | 122.3° | 111.7° |
| C16 | S19 | O21 | C22 | 120.8° | 111.7° |
| S19 | C16 | C15 | H9 | 0.3° | 0.0° |
| S19 | C16 | C17 | H10 | 0.1° | 0.0° |
| C16 | S19 | C22 | H12 | 180.0° | 60.0° |
| C16 | S19 | C22 | H13 | 60.0° | 180.0° |
| C16 | S19 | C22 | H14 | 60.0° | 60.0° |
| C10 | C9 | C8 | H3 | 179.7° | 179.9° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| O20 | S19 | O21 | C22 | 119.2° | 131.5° |
| O20 | S19 | C22 | H12 | 58.6° | 51.6° |
| O20 | S19 | C22 | H13 | 61.4° | 68.4° |
| O20 | S19 | C22 | H14 | 178.7° | 171.6° |
| O21 | S19 | C22 | H12 | 61.8° | 171.6° |
| O21 | S19 | C22 | H13 | 178.2° | 68.4° |
| O21 | S19 | C22 | H14 | 58.2° | 51.6° |
| S19 | C22 | H12 | H13 | 120.0° | 120.0° |
| S19 | C22 | H12 | H14 | 120.0° | 120.0° |
| S19 | C22 | H13 | H14 | 120.0° | 120.0° |
| H3 | C8 | C9 | H4 | 0.3° | 0.0° |
| H4 | C9 | C10 | H5 | 0.1° | 0.1° |
| H5 | C10 | C11 | H6 | 0.0° | 0.0° |
| H6 | C11 | C12 | H7 | 0.3° | 0.1° |
| H8 | C14 | C15 | H9 | 0.1° | 0.0° |
| H10 | C17 | C18 | H11 | 0.6° | 0.0° |
| H12 | C22 | H13 | H14 | 120.0° | 120.0° |
