QHP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C23 | doub | 1.21Å | 1.24Å | |
| C23 | O2 | sing | 1.34Å | 1.26Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.57Å | |
| C22 | N1 | sing | 1.46Å | 1.45Å | |
| C24 | S | sing | 1.81Å | 1.78Å | |
| O5 | C21 | doub | 1.22Å | 1.23Å | |
| N1 | C21 | sing | 1.35Å | 1.35Å | |
| C21 | N | sing | 1.35Å | 1.45Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| N | C | sing | 1.35Å | 1.43Å | |
| N | C13 | sing | 1.47Å | 1.48Å | |
| C | C1 | sing | 1.48Å | 1.50Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| S | C25 | sing | 1.81Å | 1.73Å | |
| S | O3 | doub | 1.42Å | 1.44Å | |
| S | O4 | doub | 1.42Å | 1.44Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C26 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C35 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C33 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.51Å | 1.51Å | |
| C28 | C34 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| O2 | H26 | sing | 0.97Å | 0.95Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.08Å | 1.08Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| C5 | H34 | sing | 1.08Å | 1.08Å | |
| C3 | H35 | sing | 1.08Å | 1.08Å | |
| C2 | H36 | sing | 1.08Å | 1.08Å | |
| C12 | H37 | sing | 1.08Å | 1.08Å | |
| C11 | H38 | sing | 1.08Å | 1.08Å | |
| C9 | H39 | sing | 1.08Å | 1.08Å | |
| C8 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C23 | O2 | 125.6° | 120.0° |
| O1 | C23 | C22 | 117.1° | 120.0° |
| O2 | C23 | C22 | 117.4° | 120.0° |
| C23 | O2 | H26 | 109.5° | 117.0° |
| C23 | C22 | C24 | 108.8° | 109.4° |
| C23 | C22 | N1 | 109.7° | 109.5° |
| C23 | C22 | H5 | 108.1° | 109.5° |
| C24 | C22 | N1 | 113.1° | 109.5° |
| C22 | C24 | S | 118.0° | 109.5° |
| C24 | C22 | H5 | 107.8° | 109.5° |
| C22 | C24 | H16 | 107.3° | 109.5° |
| C22 | C24 | H17 | 107.3° | 109.5° |
| C22 | N1 | C21 | 125.3° | 120.0° |
| N1 | C22 | H5 | 109.2° | 109.5° |
| C22 | N1 | H15 | 117.4° | 120.1° |
| C24 | S | C25 | 107.6° | 102.0° |
| C24 | S | O3 | 107.8° | 108.6° |
| C24 | S | O4 | 107.4° | 108.6° |
| S | C24 | H16 | 107.3° | 109.5° |
| S | C24 | H17 | 107.3° | 109.5° |
| O5 | C21 | N1 | 124.3° | 120.0° |
| O5 | C21 | N | 120.7° | 120.0° |
| N1 | C21 | N | 115.0° | 120.0° |
| C21 | N1 | H15 | 117.4° | 120.0° |
| C21 | N | C | 123.8° | 120.0° |
| C21 | N | C13 | 116.7° | 120.0° |
| C5 | C6 | C1 | 120.8° | 120.0° |
| C6 | C5 | C4 | 121.2° | 120.1° |
| C5 | C6 | H33 | 119.6° | 120.0° |
| C6 | C5 | H34 | 119.4° | 120.0° |
| C6 | C1 | C | 123.5° | 120.1° |
| C6 | C1 | C2 | 118.3° | 120.0° |
| C1 | C6 | H33 | 119.6° | 120.0° |
| C5 | C4 | C7 | 121.2° | 120.0° |
| C5 | C4 | C3 | 117.7° | 120.1° |
| C4 | C5 | H34 | 119.4° | 119.9° |
| C | N | C13 | 118.8° | 120.0° |
| N | C | C1 | 120.6° | 120.0° |
| N | C | O | 120.4° | 120.0° |
| N | C13 | C14 | 114.8° | 109.4° |
| N | C13 | H27 | 108.1° | 109.5° |
| N | C13 | H28 | 108.1° | 109.5° |
| C1 | C | O | 118.9° | 120.0° |
| C | C1 | C2 | 118.2° | 120.0° |
| C25 | S | O3 | 109.7° | 108.6° |
| C25 | S | O4 | 106.8° | 108.6° |
| S | C25 | C26 | 125.0° | 109.5° |
| S | C25 | H6 | 105.5° | 109.5° |
| S | C25 | H7 | 105.4° | 109.5° |
| O3 | S | O4 | 117.1° | 119.2° |
| C13 | C14 | C15 | 120.7° | 120.0° |
| C13 | C14 | C19 | 121.0° | 120.0° |
| C14 | C13 | H27 | 108.1° | 109.5° |
| C14 | C13 | H28 | 108.1° | 109.5° |
| C25 | C26 | C31 | 108.5° | 109.5° |
| C25 | C26 | C35 | 111.3° | 109.5° |
| C25 | C26 | C27 | 111.4° | 109.5° |
| C26 | C25 | H6 | 105.5° | 109.5° |
| C26 | C25 | H7 | 105.5° | 109.5° |
| C1 | C2 | C3 | 120.8° | 120.0° |
| C1 | C2 | H36 | 119.6° | 120.0° |
| C7 | C4 | C3 | 121.0° | 120.0° |
| C4 | C7 | C8 | 120.8° | 120.1° |
| C4 | C7 | C12 | 120.8° | 120.1° |
| C4 | C3 | C2 | 121.3° | 120.0° |
| C4 | C3 | H35 | 119.4° | 120.0° |
| C7 | C8 | C9 | 120.8° | 119.9° |
| C8 | C7 | C12 | 118.1° | 119.7° |
| C7 | C8 | H40 | 119.6° | 120.1° |
| C8 | C9 | C10 | 120.4° | 120.1° |
| C8 | C9 | H39 | 119.8° | 119.9° |
| C9 | C8 | H40 | 119.6° | 120.1° |
| C7 | C12 | C11 | 120.8° | 119.9° |
| C7 | C12 | H37 | 119.6° | 120.1° |
| C26 | C31 | C30 | 110.6° | 109.5° |
| C31 | C26 | C35 | 108.5° | 109.5° |
| C31 | C26 | C27 | 108.5° | 109.5° |
| C26 | C31 | H20 | 109.2° | 109.5° |
| C26 | C31 | H21 | 109.2° | 109.4° |
| C31 | C30 | C32 | 109.4° | 109.4° |
| C31 | C30 | C29 | 109.2° | 109.5° |
| C31 | C30 | H19 | 109.4° | 109.5° |
| C30 | C31 | H20 | 109.2° | 109.5° |
| C30 | C31 | H21 | 109.2° | 109.5° |
| C9 | C10 | C11 | 119.6° | 120.2° |
| C9 | C10 | H1 | 120.2° | 119.9° |
| C10 | C9 | H39 | 119.8° | 119.9° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C15 | C14 | C19 | 118.2° | 120.0° |
| C14 | C15 | H2 | 119.6° | 120.0° |
| C15 | C16 | C17 | 121.2° | 120.0° |
| C16 | C15 | H2 | 119.5° | 119.9° |
| C15 | C16 | H32 | 119.4° | 120.1° |
| C12 | C11 | C10 | 120.2° | 120.2° |
| C11 | C12 | H37 | 119.6° | 120.1° |
| C12 | C11 | H38 | 119.9° | 119.9° |
| C2 | C3 | H35 | 119.4° | 120.0° |
| C3 | C2 | H36 | 119.6° | 120.0° |
| C14 | C19 | C18 | 120.8° | 120.0° |
| C14 | C19 | H4 | 119.6° | 120.0° |
| C35 | C26 | C27 | 108.5° | 109.5° |
| C26 | C35 | C33 | 110.5° | 109.5° |
| C26 | C35 | H13 | 109.2° | 109.5° |
| C26 | C35 | H14 | 109.2° | 109.5° |
| C26 | C27 | C28 | 110.5° | 109.5° |
| C26 | C27 | H24 | 109.2° | 109.5° |
| C26 | C27 | H25 | 109.2° | 109.5° |
| C11 | C10 | H1 | 120.2° | 119.9° |
| C10 | C11 | H38 | 119.9° | 119.9° |
| C35 | C33 | C32 | 109.3° | 109.4° |
| C35 | C33 | C34 | 109.4° | 109.5° |
| C33 | C35 | H13 | 109.2° | 109.5° |
| C33 | C35 | H14 | 109.2° | 109.5° |
| C35 | C33 | H18 | 109.5° | 109.5° |
| C16 | C17 | C18 | 117.8° | 120.0° |
| C16 | C17 | C20 | 121.1° | 120.0° |
| C17 | C16 | H32 | 119.4° | 120.0° |
| C32 | C30 | C29 | 109.7° | 109.5° |
| C30 | C32 | C33 | 109.5° | 109.5° |
| C30 | C32 | H11 | 109.5° | 109.4° |
| C30 | C32 | H12 | 109.5° | 109.5° |
| C32 | C30 | H19 | 109.5° | 109.4° |
| C30 | C29 | C28 | 109.6° | 109.5° |
| C30 | C29 | H9 | 109.5° | 109.4° |
| C30 | C29 | H10 | 109.5° | 109.5° |
| C29 | C30 | H19 | 109.6° | 109.5° |
| C27 | C28 | C29 | 109.3° | 109.5° |
| C27 | C28 | C34 | 109.4° | 109.5° |
| C27 | C28 | H8 | 109.5° | 109.5° |
| C28 | C27 | H24 | 109.2° | 109.5° |
| C28 | C27 | H25 | 109.2° | 109.5° |
| C19 | C18 | C17 | 121.2° | 120.0° |
| C19 | C18 | H3 | 119.4° | 120.0° |
| C18 | C19 | H4 | 119.6° | 120.0° |
| C32 | C33 | C34 | 109.6° | 109.5° |
| C33 | C32 | H11 | 109.5° | 109.5° |
| C33 | C32 | H12 | 109.5° | 109.5° |
| C32 | C33 | H18 | 109.5° | 109.5° |
| C29 | C28 | C34 | 109.5° | 109.5° |
| C29 | C28 | H8 | 109.6° | 109.5° |
| C28 | C29 | H9 | 109.4° | 109.5° |
| C28 | C29 | H10 | 109.4° | 109.5° |
| C33 | C34 | C28 | 109.5° | 109.4° |
| C34 | C33 | H18 | 109.6° | 109.5° |
| C33 | C34 | H22 | 109.5° | 109.4° |
| C33 | C34 | H23 | 109.5° | 109.5° |
| C18 | C17 | C20 | 121.2° | 120.0° |
| C17 | C18 | H3 | 119.4° | 119.9° |
| C17 | C20 | H29 | 109.5° | 109.4° |
| C17 | C20 | H30 | 109.5° | 109.5° |
| C17 | C20 | H31 | 109.5° | 109.5° |
| C34 | C28 | H8 | 109.5° | 109.4° |
| C28 | C34 | H22 | 109.5° | 109.5° |
| C28 | C34 | H23 | 109.5° | 109.5° |
| H6 | C25 | H7 | 109.4° | 109.5° |
| H9 | C29 | H10 | 109.5° | 109.5° |
| H11 | C32 | H12 | 109.4° | 109.5° |
| H13 | C35 | H14 | 109.4° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.4° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H27 | C13 | H28 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.4° | 109.4° |
| H29 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C23 | O2 | C22 | 178.4° | 179.9° |
| O1 | C23 | C22 | C24 | 96.8° | 120.0° |
| O1 | C23 | C22 | N1 | 139.0° | 0.0° |
| O1 | C23 | C22 | H5 | 20.0° | 120.0° |
| O1 | C23 | O2 | H26 | 0.0° | 0.0° |
| O2 | C23 | C22 | C24 | 84.7° | 60.0° |
| O2 | C23 | C22 | N1 | 39.5° | 180.0° |
| O2 | C23 | C22 | H5 | 158.5° | 59.9° |
| C23 | C22 | C24 | N1 | 122.2° | 120.0° |
| C23 | C22 | C24 | H5 | 117.0° | 120.0° |
| C23 | C22 | N1 | H5 | 118.4° | 120.0° |
| C23 | C22 | C24 | S | 150.8° | 174.5° |
| C23 | C22 | N1 | C21 | 101.5° | 81.3° |
| C23 | C22 | N1 | H15 | 78.5° | 98.7° |
| C23 | C22 | C24 | H16 | 29.6° | 65.4° |
| C23 | C22 | C24 | H17 | 88.0° | 54.5° |
| C22 | C23 | O2 | H26 | 178.4° | 180.0° |
| C24 | C22 | N1 | H5 | 120.0° | 120.0° |
| C22 | C24 | S | H16 | 121.2° | 120.1° |
| C22 | C24 | S | H17 | 121.2° | 120.0° |
| C24 | C22 | N1 | C21 | 136.8° | 158.7° |
| C22 | C24 | S | C25 | 59.4° | 174.8° |
| C22 | C24 | S | O3 | 177.6° | 70.7° |
| C22 | C24 | S | O4 | 55.3° | 60.3° |
| C24 | C22 | N1 | H15 | 43.2° | 21.3° |
| C22 | C24 | H16 | H17 | 116.1° | 120.0° |
| N1 | C22 | C24 | S | 28.6° | 65.5° |
| C22 | N1 | C21 | O5 | 29.9° | 4.8° |
| C22 | N1 | C21 | H15 | 180.0° | 180.0° |
| C22 | N1 | C21 | N | 149.0° | 175.1° |
| N1 | C22 | C24 | H16 | 92.6° | 54.5° |
| N1 | C22 | C24 | H17 | 149.8° | 174.5° |
| C24 | S | C25 | O3 | 117.0° | 114.5° |
| C24 | S | C25 | O4 | 115.1° | 114.5° |
| C24 | S | O3 | O4 | 121.2° | 124.9° |
| C24 | S | C25 | C26 | 177.8° | 175.4° |
| S | C24 | C22 | H5 | 92.2° | 54.6° |
| C24 | S | C25 | H6 | 60.1° | 64.6° |
| C24 | S | C25 | H7 | 55.6° | 55.4° |
| S | C24 | H16 | H17 | 116.1° | 120.0° |
| O5 | C21 | N1 | N | 178.9° | 179.9° |
| O5 | C21 | N | C | 172.7° | 5.0° |
| O5 | C21 | N | C13 | 16.8° | 174.9° |
| O5 | C21 | N1 | H15 | 150.1° | 175.2° |
| N1 | C21 | N | C | 6.2° | 175.1° |
| N1 | C21 | N | C13 | 164.3° | 5.0° |
| C21 | N1 | C22 | H5 | 16.9° | 38.7° |
| C21 | N | C | C13 | 170.3° | 180.0° |
| C21 | N | C | C1 | 155.3° | 174.8° |
| C21 | N | C | O | 29.2° | 5.2° |
| C21 | N | C13 | C14 | 65.7° | 87.3° |
| N | C21 | N1 | H15 | 31.0° | 4.9° |
| C21 | N | C13 | H27 | 55.0° | 152.7° |
| C21 | N | C13 | H28 | 173.5° | 32.7° |
| C5 | C6 | C1 | H33 | 180.0° | 180.0° |
| C6 | C5 | C4 | H34 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 177.7° | 180.0° |
| C5 | C6 | C1 | C2 | 0.6° | 0.3° |
| C6 | C5 | C4 | C7 | 175.2° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C6 | C1 | C | N | 37.1° | 47.5° |
| C6 | C1 | C | C2 | 178.3° | 179.8° |
| C6 | C1 | C | O | 147.3° | 132.5° |
| C6 | C1 | C2 | C3 | 0.4° | 0.6° |
| C1 | C6 | C5 | H34 | 179.3° | 180.0° |
| C6 | C1 | C2 | H36 | 179.6° | 179.7° |
| C5 | C4 | C7 | C3 | 175.8° | 180.0° |
| C5 | C4 | C7 | C8 | 43.4° | 0.6° |
| C5 | C4 | C7 | C12 | 142.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.6° | 0.3° |
| C4 | C5 | C6 | H33 | 179.2° | 180.0° |
| C5 | C4 | C3 | H35 | 179.4° | 180.0° |
| N | C | C1 | O | 175.6° | 180.0° |
| C | N | C13 | C14 | 105.3° | 92.7° |
| N | C | C1 | C2 | 144.6° | 132.3° |
| C | N | C13 | H27 | 134.0° | 27.2° |
| C | N | C13 | H28 | 15.5° | 147.3° |
| C13 | N | C | C1 | 34.4° | 5.2° |
| C13 | N | C | O | 141.1° | 174.8° |
| N | C13 | C14 | H27 | 120.8° | 120.0° |
| N | C13 | C14 | H28 | 120.8° | 120.0° |
| N | C13 | C14 | C15 | 115.6° | 26.6° |
| N | C13 | C14 | C19 | 69.4° | 153.8° |
| N | C13 | H27 | H28 | 117.6° | 120.0° |
| C | C1 | C2 | C3 | 178.0° | 179.7° |
| C | C1 | C6 | H33 | 2.3° | 0.0° |
| C | C1 | C2 | H36 | 2.1° | 0.0° |
| O | C | C1 | C2 | 31.0° | 47.7° |
| C25 | S | O3 | O4 | 121.9° | 125.0° |
| S | C25 | C26 | H6 | 122.1° | 120.0° |
| S | C25 | C26 | H7 | 122.1° | 120.0° |
| S | C25 | C26 | C31 | 172.2° | 54.1° |
| S | C25 | C26 | C35 | 52.9° | 174.1° |
| S | C25 | C26 | C27 | 68.4° | 65.9° |
| S | C25 | H6 | H7 | 113.0° | 120.0° |
| C25 | S | C24 | H16 | 179.4° | 65.1° |
| C25 | S | C24 | H17 | 61.8° | 54.8° |
| O3 | S | C25 | C26 | 65.2° | 60.9° |
| O3 | S | C25 | H6 | 56.9° | 179.1° |
| O3 | S | C25 | H7 | 172.7° | 59.1° |
| O3 | S | C24 | H16 | 61.2° | 49.4° |
| O3 | S | C24 | H17 | 56.4° | 169.3° |
| O4 | S | C25 | C26 | 62.6° | 70.1° |
| O4 | S | C25 | H6 | 175.2° | 49.9° |
| O4 | S | C25 | H7 | 59.5° | 169.8° |
| O4 | S | C24 | H16 | 65.9° | 179.6° |
| O4 | S | C24 | H17 | 176.5° | 59.7° |
| C13 | C14 | C15 | C19 | 175.2° | 179.6° |
| C13 | C14 | C15 | C16 | 174.0° | 179.7° |
| C13 | C14 | C19 | C18 | 174.1° | 179.7° |
| C13 | C14 | C15 | H2 | 5.9° | 0.4° |
| C13 | C14 | C19 | H4 | 5.9° | 0.3° |
| C14 | C13 | H27 | H28 | 117.5° | 120.0° |
| C25 | C26 | C31 | C35 | 121.1° | 120.0° |
| C25 | C26 | C31 | C27 | 121.2° | 120.0° |
| C25 | C26 | C31 | C30 | 179.9° | 180.0° |
| C25 | C26 | C35 | C27 | 123.0° | 120.0° |
| C25 | C26 | C35 | C33 | 178.2° | 180.0° |
| C25 | C26 | C27 | C28 | 178.2° | 180.0° |
| C26 | C25 | H6 | H7 | 113.1° | 120.0° |
| C25 | C26 | C35 | H13 | 61.6° | 60.0° |
| C25 | C26 | C35 | H14 | 58.0° | 60.0° |
| C25 | C26 | C31 | H20 | 59.8° | 60.0° |
| C25 | C26 | C31 | H21 | 59.9° | 60.0° |
| C25 | C26 | C27 | H24 | 58.0° | 60.0° |
| C25 | C26 | C27 | H25 | 61.6° | 60.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.6° |
| C1 | C2 | C3 | H36 | 180.0° | 179.7° |
| C2 | C1 | C6 | H33 | 179.4° | 179.7° |
| C1 | C2 | C3 | H35 | 179.5° | 179.7° |
| C4 | C7 | C8 | C12 | 173.8° | 179.3° |
| C4 | C7 | C8 | C9 | 171.3° | 179.7° |
| C4 | C7 | C12 | C11 | 171.2° | 180.0° |
| C7 | C4 | C3 | C2 | 175.3° | 179.7° |
| C7 | C4 | C5 | H34 | 4.8° | 0.0° |
| C7 | C4 | C3 | H35 | 4.7° | 0.0° |
| C4 | C7 | C12 | H37 | 8.8° | 0.1° |
| C4 | C7 | C8 | H40 | 8.7° | 0.6° |
| C3 | C4 | C7 | C8 | 132.4° | 179.4° |
| C3 | C4 | C7 | C12 | 41.3° | 0.0° |
| C4 | C3 | C2 | H35 | 180.0° | 179.7° |
| C3 | C4 | C5 | H34 | 179.3° | 180.0° |
| C4 | C3 | C2 | H36 | 179.5° | 179.7° |
| C7 | C8 | C9 | H40 | 180.0° | 179.6° |
| C7 | C8 | C9 | C10 | 0.9° | 0.1° |
| C8 | C7 | C12 | C11 | 2.6° | 0.6° |
| C8 | C7 | C12 | H37 | 177.4° | 179.4° |
| C7 | C8 | C9 | H39 | 179.1° | 179.9° |
| C9 | C8 | C7 | C12 | 2.5° | 0.4° |
| C8 | C9 | C10 | H39 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.7° | 0.1° |
| C8 | C9 | C10 | H1 | 179.3° | 179.7° |
| C7 | C12 | C11 | H37 | 180.0° | 179.9° |
| C7 | C12 | C11 | C10 | 1.1° | 0.6° |
| C7 | C12 | C11 | H38 | 179.0° | 179.4° |
| C12 | C7 | C8 | H40 | 177.5° | 180.0° |
| C26 | C31 | C30 | H20 | 120.2° | 120.0° |
| C26 | C31 | C30 | H21 | 120.2° | 119.9° |
| C31 | C26 | C35 | C27 | 117.7° | 120.0° |
| C31 | C26 | C35 | C33 | 58.9° | 60.0° |
| C26 | C31 | C30 | C32 | 60.0° | 60.0° |
| C26 | C31 | C30 | C29 | 60.1° | 60.0° |
| C31 | C26 | C27 | C28 | 58.8° | 60.0° |
| C31 | C26 | C25 | H6 | 50.1° | 65.9° |
| C31 | C26 | C25 | H7 | 65.7° | 174.1° |
| C31 | C26 | C35 | H13 | 179.1° | 180.0° |
| C31 | C26 | C35 | H14 | 61.3° | 60.1° |
| C26 | C31 | C30 | H19 | 180.0° | 180.0° |
| C26 | C31 | H20 | H21 | 119.5° | 119.9° |
| C31 | C26 | C27 | H24 | 61.3° | 60.0° |
| C31 | C26 | C27 | H25 | 179.0° | 180.0° |
| C30 | C31 | C26 | C35 | 58.8° | 60.0° |
| C30 | C31 | C26 | C27 | 58.9° | 60.0° |
| C31 | C30 | C32 | C29 | 119.8° | 120.0° |
| C31 | C30 | C32 | H19 | 119.9° | 119.9° |
| C31 | C30 | C29 | H19 | 119.8° | 120.0° |
| C31 | C30 | C32 | C33 | 60.1° | 60.1° |
| C31 | C30 | C29 | C28 | 60.1° | 60.0° |
| C31 | C30 | C29 | H9 | 179.9° | 60.0° |
| C31 | C30 | C29 | H10 | 60.0° | 180.0° |
| C31 | C30 | C32 | H11 | 59.9° | 179.9° |
| C31 | C30 | C32 | H12 | 179.9° | 60.0° |
| C30 | C31 | H20 | H21 | 119.5° | 120.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.3° |
| C9 | C10 | C11 | H1 | 180.0° | 179.6° |
| C9 | C10 | C11 | H38 | 179.4° | 179.7° |
| C10 | C9 | C8 | H40 | 179.1° | 179.7° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.4° | 0.1° |
| C15 | C14 | C19 | C18 | 1.0° | 0.0° |
| C15 | C14 | C19 | H4 | 179.0° | 179.9° |
| C15 | C14 | C13 | H27 | 5.2° | 146.6° |
| C15 | C14 | C13 | H28 | 123.7° | 93.4° |
| C14 | C15 | C16 | H32 | 179.6° | 179.9° |
| C16 | C15 | C14 | C19 | 1.1° | 0.1° |
| C15 | C16 | C17 | H32 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | C17 | C20 | 179.1° | 179.9° |
| C12 | C11 | C10 | H38 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.4° | 180.0° |
| C14 | C19 | C18 | H4 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C14 | C15 | H2 | 178.9° | 180.0° |
| C14 | C19 | C18 | H3 | 179.8° | 180.0° |
| C19 | C14 | C13 | H27 | 169.8° | 33.8° |
| C19 | C14 | C13 | H28 | 51.4° | 86.3° |
| C26 | C35 | C33 | H13 | 120.2° | 120.0° |
| C26 | C35 | C33 | H14 | 120.2° | 120.0° |
| C35 | C26 | C27 | C28 | 58.9° | 60.0° |
| C26 | C35 | C33 | C32 | 60.0° | 60.0° |
| C26 | C35 | C33 | C34 | 59.9° | 60.0° |
| C35 | C26 | C25 | H6 | 69.3° | 54.1° |
| C35 | C26 | C25 | H7 | 174.9° | 65.9° |
| C26 | C35 | H13 | H14 | 119.5° | 120.0° |
| C26 | C35 | C33 | H18 | 180.0° | 180.0° |
| C35 | C26 | C31 | H20 | 61.3° | 60.0° |
| C35 | C26 | C31 | H21 | 179.0° | 180.0° |
| C35 | C26 | C27 | H24 | 179.0° | 180.0° |
| C35 | C26 | C27 | H25 | 61.3° | 60.0° |
| C27 | C26 | C35 | C33 | 58.8° | 60.0° |
| C26 | C27 | C28 | H24 | 120.2° | 120.0° |
| C26 | C27 | C28 | H25 | 120.2° | 120.0° |
| C26 | C27 | C28 | C29 | 59.9° | 60.0° |
| C26 | C27 | C28 | C34 | 60.0° | 60.0° |
| C27 | C26 | C25 | H6 | 169.4° | 174.1° |
| C27 | C26 | C25 | H7 | 53.6° | 54.1° |
| C26 | C27 | C28 | H8 | 179.9° | 179.9° |
| C27 | C26 | C35 | H13 | 61.4° | 60.0° |
| C27 | C26 | C35 | H14 | 179.0° | 180.0° |
| C27 | C26 | C31 | H20 | 179.1° | 180.0° |
| C27 | C26 | C31 | H21 | 61.3° | 60.0° |
| C26 | C27 | H24 | H25 | 119.5° | 120.0° |
| C10 | C11 | C12 | H37 | 178.9° | 179.5° |
| C11 | C10 | C9 | H39 | 179.3° | 180.0° |
| C35 | C33 | C32 | C30 | 60.1° | 60.0° |
| C35 | C33 | C32 | C34 | 119.8° | 120.0° |
| C35 | C33 | C32 | H18 | 119.9° | 120.0° |
| C35 | C33 | C34 | H18 | 120.0° | 120.0° |
| C35 | C33 | C34 | C28 | 59.9° | 60.0° |
| C35 | C33 | C32 | H11 | 59.9° | 180.0° |
| C35 | C33 | C32 | H12 | 179.9° | 60.0° |
| C33 | C35 | H13 | H14 | 119.5° | 120.0° |
| C35 | C33 | C34 | H22 | 60.1° | 180.0° |
| C35 | C33 | C34 | H23 | 179.9° | 60.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.0° |
| C16 | C17 | C18 | C20 | 179.6° | 179.9° |
| C17 | C16 | C15 | H2 | 179.7° | 180.0° |
| C16 | C17 | C18 | H3 | 179.4° | 180.0° |
| C16 | C17 | C20 | H29 | 89.8° | 90.0° |
| C16 | C17 | C20 | H30 | 150.2° | 29.9° |
| C16 | C17 | C20 | H31 | 30.2° | 149.9° |
| C32 | C30 | C29 | H19 | 120.3° | 120.0° |
| C30 | C32 | C33 | H11 | 120.0° | 119.9° |
| C30 | C32 | C33 | H12 | 120.0° | 120.0° |
| C32 | C30 | C29 | C28 | 59.8° | 60.0° |
| C30 | C32 | C33 | C34 | 59.8° | 59.9° |
| C32 | C30 | C29 | H9 | 60.2° | 180.0° |
| C32 | C30 | C29 | H10 | 179.9° | 60.0° |
| C30 | C32 | H11 | H12 | 120.0° | 120.0° |
| C30 | C32 | C33 | H18 | 180.0° | 180.0° |
| C32 | C30 | C31 | H20 | 60.1° | 60.0° |
| C32 | C30 | C31 | H21 | 179.8° | 180.0° |
| C30 | C29 | C28 | C27 | 60.0° | 60.0° |
| C29 | C30 | C32 | C33 | 59.7° | 60.0° |
| C30 | C29 | C28 | H9 | 120.0° | 119.9° |
| C30 | C29 | C28 | H10 | 120.0° | 120.0° |
| C30 | C29 | C28 | C34 | 59.8° | 60.1° |
| C30 | C29 | C28 | H8 | 180.0° | 180.0° |
| C30 | C29 | H9 | H10 | 120.0° | 120.0° |
| C29 | C30 | C32 | H11 | 179.7° | 60.0° |
| C29 | C30 | C32 | H12 | 60.3° | 180.0° |
| C29 | C30 | C31 | H20 | 179.8° | 180.0° |
| C29 | C30 | C31 | H21 | 60.1° | 60.0° |
| C27 | C28 | C29 | C34 | 119.9° | 120.0° |
| C27 | C28 | C29 | H8 | 120.0° | 120.0° |
| C27 | C28 | C34 | C33 | 59.9° | 60.0° |
| C27 | C28 | C34 | H8 | 120.0° | 119.9° |
| C27 | C28 | C29 | H9 | 179.9° | 60.0° |
| C27 | C28 | C29 | H10 | 60.0° | 180.0° |
| C27 | C28 | C34 | H22 | 60.1° | 180.0° |
| C27 | C28 | C34 | H23 | 179.9° | 59.9° |
| C28 | C27 | H24 | H25 | 119.5° | 120.0° |
| C19 | C18 | C17 | H3 | 180.0° | 180.0° |
| C19 | C18 | C17 | C20 | 179.0° | 179.9° |
| C32 | C33 | C34 | H18 | 120.2° | 120.0° |
| C32 | C33 | C34 | C28 | 59.9° | 60.0° |
| C33 | C32 | H11 | H12 | 120.0° | 120.0° |
| C32 | C33 | C35 | H13 | 179.8° | 180.0° |
| C32 | C33 | C35 | H14 | 60.2° | 60.0° |
| C33 | C32 | C30 | H19 | 180.0° | 180.0° |
| C32 | C33 | C34 | H22 | 179.9° | 60.0° |
| C32 | C33 | C34 | H23 | 60.1° | 180.0° |
| C29 | C28 | C34 | C33 | 59.8° | 60.0° |
| C29 | C28 | C34 | H8 | 120.2° | 120.0° |
| C28 | C29 | H9 | H10 | 119.9° | 120.1° |
| C28 | C29 | C30 | H19 | 179.9° | 180.0° |
| C29 | C28 | C34 | H22 | 179.9° | 59.9° |
| C29 | C28 | C34 | H23 | 60.1° | 180.0° |
| C29 | C28 | C27 | H24 | 60.3° | 60.0° |
| C29 | C28 | C27 | H25 | 179.9° | 180.0° |
| C33 | C34 | C28 | H22 | 120.0° | 119.9° |
| C33 | C34 | C28 | H23 | 120.0° | 120.0° |
| C33 | C34 | C28 | H8 | 180.0° | 180.0° |
| C34 | C33 | C32 | H11 | 179.8° | 60.0° |
| C34 | C33 | C32 | H12 | 60.2° | 180.0° |
| C34 | C33 | C35 | H13 | 60.3° | 60.0° |
| C34 | C33 | C35 | H14 | 179.9° | 180.0° |
| C33 | C34 | H22 | H23 | 120.0° | 120.0° |
| C17 | C18 | C19 | H4 | 179.8° | 180.0° |
| C18 | C17 | C20 | H29 | 89.8° | 90.0° |
| C18 | C17 | C20 | H30 | 30.2° | 150.0° |
| C18 | C17 | C20 | H31 | 150.2° | 30.0° |
| C18 | C17 | C16 | H32 | 179.5° | 179.9° |
| C20 | C17 | C18 | H3 | 1.0° | 0.1° |
| C17 | C20 | H29 | H30 | 120.0° | 119.9° |
| C17 | C20 | H29 | H31 | 120.0° | 120.0° |
| C17 | C20 | H30 | H31 | 120.0° | 120.0° |
| C20 | C17 | C16 | H32 | 0.9° | 0.2° |
| C34 | C28 | C29 | H9 | 60.2° | 180.0° |
| C34 | C28 | C29 | H10 | 179.8° | 60.0° |
| C28 | C34 | C33 | H18 | 179.9° | 180.0° |
| C28 | C34 | H22 | H23 | 120.0° | 120.1° |
| C34 | C28 | C27 | H24 | 179.8° | 180.0° |
| C34 | C28 | C27 | H25 | 60.2° | 59.9° |
| H1 | C10 | C11 | H38 | 0.6° | 0.1° |
| H1 | C10 | C9 | H39 | 0.7° | 0.3° |
| H2 | C15 | C16 | H32 | 0.4° | 0.0° |
| H3 | C18 | C19 | H4 | 0.2° | 0.1° |
| H5 | C22 | N1 | H15 | 163.1° | 141.3° |
| H5 | C22 | C24 | H16 | 146.6° | 174.6° |
| H5 | C22 | C24 | H17 | 29.1° | 65.5° |
| H8 | C28 | C29 | H9 | 60.0° | 60.1° |
| H8 | C28 | C29 | H10 | 60.0° | 60.0° |
| H8 | C28 | C34 | H22 | 60.0° | 60.1° |
| H8 | C28 | C34 | H23 | 60.0° | 60.0° |
| H8 | C28 | C27 | H24 | 59.8° | 60.1° |
| H8 | C28 | C27 | H25 | 59.9° | 60.0° |
| H9 | C29 | C30 | H19 | 60.1° | 60.0° |
| H10 | C29 | C30 | H19 | 59.9° | 59.9° |
| H11 | C32 | C33 | H18 | 60.0° | 60.1° |
| H11 | C32 | C30 | H19 | 60.0° | 60.0° |
| H12 | C32 | C33 | H18 | 60.0° | 60.0° |
| H12 | C32 | C30 | H19 | 60.0° | 60.0° |
| H13 | C35 | C33 | H18 | 59.8° | 60.0° |
| H14 | C35 | C33 | H18 | 59.8° | 59.9° |
| H18 | C33 | C34 | H22 | 59.9° | 60.0° |
| H18 | C33 | C34 | H23 | 60.1° | 60.0° |
| H19 | C30 | C31 | H20 | 59.8° | 59.9° |
| H19 | C30 | C31 | H21 | 59.8° | 60.1° |
| H29 | C20 | H30 | H31 | 120.0° | 120.0° |
| H33 | C6 | C5 | H34 | 0.7° | 0.0° |
| H35 | C3 | C2 | H36 | 0.5° | 0.0° |
| H37 | C12 | C11 | H38 | 1.1° | 0.5° |
| H39 | C9 | C8 | H40 | 0.9° | 0.3° |
