PVJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.33Å | 1.38Å | Aromatic |
| C24 | S | sing | 1.76Å | 1.71Å | Aromatic |
| C23 | N22 | sing | 1.32Å | 1.37Å | Aromatic |
| S | C21 | sing | 1.71Å | 1.73Å | Aromatic |
| N22 | C21 | doub | 1.30Å | 1.32Å | Aromatic |
| C21 | N20 | sing | 1.39Å | 1.39Å | |
| O19 | C18 | doub | 1.21Å | 1.22Å | |
| N20 | C18 | sing | 1.35Å | 1.38Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| O33 | C32 | doub | 1.21Å | 1.25Å | |
| C17 | C1 | sing | 1.53Å | 1.53Å | |
| C32 | O34 | sing | 1.35Å | 1.26Å | |
| C32 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| F | C12 | sing | 1.35Å | 1.34Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C15 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O9 | sing | 1.36Å | 1.39Å | |
| N | C | sing | 1.47Å | 1.49Å | |
| C5 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O9 | C6 | sing | 1.36Å | 1.38Å | |
| C | C4 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | O | sing | 1.36Å | 1.38Å | |
| O | C25 | sing | 1.43Å | 1.41Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | C31 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.49Å | |
| C26 | O27 | sing | 1.43Å | 1.43Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | O27 | sing | 1.43Å | 1.44Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.08Å | 1.08Å | |
| C8 | H29 | sing | 1.08Å | 1.08Å | |
| N20 | H30 | sing | 0.97Å | 1.00Å | |
| O34 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | S | 109.9° | 108.1° |
| C24 | C23 | N22 | 115.6° | 114.5° |
| C24 | C23 | H13 | 122.2° | 122.7° |
| C23 | C24 | H14 | 125.1° | 125.9° |
| C24 | S | C21 | 89.1° | 90.4° |
| S | C24 | H14 | 125.0° | 126.0° |
| C23 | N22 | C21 | 109.9° | 117.0° |
| N22 | C23 | H13 | 122.2° | 122.8° |
| S | C21 | N22 | 115.4° | 110.1° |
| S | C21 | N20 | 120.0° | 125.0° |
| N22 | C21 | N20 | 124.6° | 125.0° |
| C21 | N20 | C18 | 125.4° | 120.0° |
| C21 | N20 | H30 | 117.3° | 120.0° |
| O19 | C18 | N20 | 127.5° | 120.0° |
| O19 | C18 | C17 | 120.8° | 120.0° |
| N20 | C18 | C17 | 111.7° | 120.0° |
| C18 | N20 | H30 | 117.3° | 120.0° |
| C18 | C17 | C1 | 116.3° | 109.5° |
| C18 | C17 | H11 | 107.8° | 109.4° |
| C18 | C17 | H12 | 107.7° | 109.4° |
| O33 | C32 | O34 | 126.1° | 120.0° |
| O33 | C32 | C13 | 118.2° | 120.0° |
| C17 | C1 | C16 | 113.0° | 109.1° |
| C17 | C1 | N | 106.0° | 109.3° |
| C17 | C1 | C2 | 114.3° | 109.3° |
| C1 | C17 | H11 | 107.7° | 109.5° |
| C1 | C17 | H12 | 107.7° | 109.5° |
| O34 | C32 | C13 | 115.7° | 120.0° |
| C32 | O34 | H31 | 109.5° | 117.0° |
| C32 | C13 | C14 | 119.1° | 120.1° |
| C32 | C13 | C12 | 120.8° | 120.0° |
| C14 | C13 | C12 | 120.0° | 119.8° |
| C13 | C14 | C15 | 119.5° | 119.9° |
| C13 | C14 | H6 | 120.3° | 120.1° |
| C13 | C12 | F | 121.3° | 120.1° |
| C13 | C12 | C11 | 120.9° | 119.8° |
| F | C12 | C11 | 117.8° | 120.1° |
| C14 | C15 | C10 | 120.0° | 120.1° |
| C15 | C14 | H6 | 120.3° | 120.0° |
| C14 | C15 | H7 | 120.0° | 120.0° |
| C12 | C11 | C10 | 119.0° | 120.1° |
| C12 | C11 | H5 | 120.5° | 119.9° |
| C16 | C1 | N | 105.6° | 109.3° |
| C16 | C1 | C2 | 106.0° | 109.3° |
| C1 | C16 | H8 | 109.5° | 109.4° |
| C1 | C16 | H9 | 109.5° | 109.5° |
| C1 | C16 | H10 | 109.5° | 109.5° |
| N | C1 | C2 | 111.7° | 110.5° |
| C1 | N | C | 115.9° | 110.2° |
| C1 | N | H1 | 107.8° | 111.0° |
| C1 | C2 | C5 | 119.6° | 118.3° |
| C1 | C2 | C3 | 121.1° | 121.8° |
| C15 | C10 | C11 | 120.6° | 120.2° |
| C15 | C10 | O9 | 123.7° | 119.9° |
| C10 | C15 | H7 | 120.0° | 119.9° |
| C11 | C10 | O9 | 115.7° | 119.9° |
| C10 | C11 | H5 | 120.5° | 120.0° |
| C10 | O9 | C6 | 115.9° | 118.0° |
| N | C | C4 | 109.9° | 108.5° |
| C | N | H1 | 107.8° | 111.0° |
| N | C | H3 | 109.4° | 109.6° |
| N | C | H4 | 109.4° | 109.6° |
| C2 | C5 | C6 | 120.9° | 120.4° |
| C5 | C2 | C3 | 119.3° | 119.9° |
| C2 | C5 | H28 | 119.5° | 119.8° |
| C5 | C6 | O9 | 116.0° | 120.1° |
| C5 | C6 | C7 | 119.8° | 119.7° |
| C6 | C5 | H28 | 119.5° | 119.8° |
| C2 | C3 | C4 | 123.5° | 121.6° |
| C2 | C3 | C8 | 120.0° | 119.9° |
| O9 | C6 | C7 | 124.2° | 120.2° |
| C | C4 | C3 | 114.3° | 110.0° |
| C4 | C | H3 | 109.3° | 109.6° |
| C4 | C | H4 | 109.3° | 109.6° |
| C | C4 | H26 | 108.3° | 109.4° |
| C | C4 | H27 | 108.2° | 109.4° |
| C6 | C7 | C8 | 120.0° | 119.6° |
| C6 | C7 | O | 116.9° | 120.2° |
| C4 | C3 | C8 | 116.5° | 118.4° |
| C3 | C4 | H26 | 108.3° | 109.4° |
| C3 | C4 | H27 | 108.3° | 109.4° |
| C3 | C8 | C7 | 120.0° | 120.4° |
| C3 | C8 | H29 | 120.0° | 119.7° |
| C8 | C7 | O | 123.0° | 120.2° |
| C7 | C8 | H29 | 120.0° | 119.8° |
| C7 | O | C25 | 112.9° | 117.0° |
| O | C25 | C26 | 97.3° | 109.5° |
| O | C25 | H15 | 112.4° | 109.5° |
| O | C25 | H16 | 112.4° | 109.4° |
| C31 | C30 | C29 | 112.5° | 109.0° |
| C30 | C31 | C26 | 106.2° | 109.1° |
| C31 | C30 | H22 | 108.7° | 109.6° |
| C31 | C30 | H23 | 108.7° | 109.5° |
| C30 | C31 | H24 | 110.3° | 109.5° |
| C30 | C31 | H25 | 110.3° | 109.5° |
| C30 | C29 | C28 | 112.7° | 109.2° |
| C30 | C29 | H20 | 108.7° | 109.5° |
| C30 | C29 | H21 | 108.7° | 109.6° |
| C29 | C30 | H22 | 108.7° | 109.6° |
| C29 | C30 | H23 | 108.7° | 109.5° |
| C31 | C26 | C25 | 116.6° | 109.5° |
| C31 | C26 | O27 | 114.2° | 109.4° |
| C31 | C26 | H17 | 104.2° | 109.5° |
| C26 | C31 | H24 | 110.3° | 109.5° |
| C26 | C31 | H25 | 110.3° | 109.5° |
| C25 | C26 | O27 | 110.9° | 109.4° |
| C26 | C25 | H15 | 112.4° | 109.5° |
| C26 | C25 | H16 | 112.4° | 109.5° |
| C25 | C26 | H17 | 104.4° | 109.5° |
| C26 | O27 | C28 | 108.8° | 114.1° |
| O27 | C26 | H17 | 105.0° | 109.5° |
| C29 | C28 | O27 | 110.4° | 109.4° |
| C29 | C28 | H18 | 109.2° | 109.5° |
| C29 | C28 | H19 | 109.2° | 109.5° |
| C28 | C29 | H20 | 108.6° | 109.5° |
| C28 | C29 | H21 | 108.7° | 109.5° |
| O27 | C28 | H18 | 109.3° | 109.5° |
| O27 | C28 | H19 | 109.3° | 109.5° |
| H3 | C | H4 | 109.5° | 109.8° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H8 | C16 | H10 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.4° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.6° |
| H24 | C31 | H25 | 109.5° | 109.6° |
| H26 | C4 | H27 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | S | H14 | 180.0° | 179.9° |
| C24 | C23 | N22 | H13 | 180.0° | 179.9° |
| C23 | C24 | S | C21 | 0.1° | 0.2° |
| C24 | C23 | N22 | C21 | 0.1° | 0.1° |
| S | C24 | C23 | N22 | 0.0° | 0.1° |
| C24 | S | C21 | N22 | 0.2° | 0.3° |
| C24 | S | C21 | N20 | 179.9° | 180.0° |
| S | C24 | C23 | H13 | 180.0° | 179.8° |
| C23 | N22 | C21 | S | 0.2° | 0.2° |
| C23 | N22 | C21 | N20 | 179.9° | 180.0° |
| N22 | C23 | C24 | H14 | 180.0° | 180.0° |
| S | C21 | N22 | N20 | 180.0° | 179.8° |
| S | C21 | N20 | C18 | 1.3° | 0.3° |
| C21 | S | C24 | H14 | 179.9° | 179.9° |
| S | C21 | N20 | H30 | 178.7° | 179.7° |
| N22 | C21 | N20 | C18 | 178.7° | 180.0° |
| C21 | N22 | C23 | H13 | 179.9° | 180.0° |
| N22 | C21 | N20 | H30 | 1.3° | 0.0° |
| C21 | N20 | C18 | O19 | 15.1° | 0.0° |
| C21 | N20 | C18 | H30 | 180.0° | 180.0° |
| C21 | N20 | C18 | C17 | 166.4° | 180.0° |
| O19 | C18 | N20 | C17 | 178.5° | 180.0° |
| O19 | C18 | C17 | C1 | 69.4° | 0.0° |
| O19 | C18 | C17 | H11 | 51.6° | 120.0° |
| O19 | C18 | C17 | H12 | 169.6° | 120.0° |
| O19 | C18 | N20 | H30 | 164.8° | 180.0° |
| N20 | C18 | C17 | C1 | 112.0° | 180.0° |
| N20 | C18 | C17 | H11 | 127.0° | 60.0° |
| N20 | C18 | C17 | H12 | 9.0° | 60.0° |
| C18 | C17 | C1 | H11 | 121.0° | 120.0° |
| C18 | C17 | C1 | H12 | 121.0° | 120.0° |
| C18 | C17 | C1 | C16 | 72.4° | 59.5° |
| C18 | C17 | C1 | N | 172.5° | 60.0° |
| C18 | C17 | C1 | C2 | 49.0° | 179.0° |
| C18 | C17 | H11 | H12 | 116.9° | 119.9° |
| C17 | C18 | N20 | H30 | 13.6° | 0.0° |
| O33 | C32 | O34 | C13 | 177.7° | 180.0° |
| O33 | C32 | C13 | C14 | 29.1° | 180.0° |
| O33 | C32 | C13 | C12 | 151.9° | 0.3° |
| O33 | C32 | O34 | H31 | 0.0° | 0.0° |
| C17 | C1 | C16 | N | 115.4° | 119.5° |
| C17 | C1 | C16 | C2 | 126.0° | 119.5° |
| C17 | C1 | N | C2 | 125.1° | 120.3° |
| C17 | C1 | N | C | 80.1° | 172.9° |
| C17 | C1 | C2 | C5 | 76.0° | 42.2° |
| C17 | C1 | C2 | C3 | 104.8° | 137.9° |
| C17 | C1 | N | H1 | 158.9° | 63.7° |
| C17 | C1 | C16 | H8 | 180.0° | 179.5° |
| C17 | C1 | C16 | H9 | 60.0° | 60.6° |
| C17 | C1 | C16 | H10 | 60.0° | 59.5° |
| C1 | C17 | H11 | H12 | 116.9° | 120.0° |
| O34 | C32 | C13 | C14 | 148.8° | 0.0° |
| O34 | C32 | C13 | C12 | 30.2° | 179.7° |
| C32 | C13 | C14 | C12 | 179.0° | 179.7° |
| C32 | C13 | C12 | F | 1.4° | 0.3° |
| C32 | C13 | C14 | C15 | 179.0° | 180.0° |
| C32 | C13 | C12 | C11 | 178.6° | 179.7° |
| C32 | C13 | C14 | H6 | 1.0° | 0.3° |
| C13 | C32 | O34 | H31 | 177.7° | 180.0° |
| C14 | C13 | C12 | F | 179.6° | 180.0° |
| C13 | C14 | C15 | H6 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.4° | 0.1° |
| C13 | C14 | C15 | C10 | 0.9° | 0.6° |
| C13 | C14 | C15 | H7 | 179.1° | 180.0° |
| C13 | C12 | F | C11 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | H5 | 179.9° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| F | C12 | C11 | C10 | 179.9° | 180.0° |
| F | C12 | C11 | H5 | 0.1° | 0.0° |
| C14 | C15 | C10 | H7 | 180.0° | 179.4° |
| C14 | C15 | C10 | C11 | 1.4° | 0.6° |
| C14 | C15 | C10 | O9 | 177.9° | 179.7° |
| C12 | C11 | C10 | C15 | 1.0° | 0.3° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C12 | C11 | C10 | O9 | 178.3° | 180.0° |
| C16 | C1 | N | C2 | 114.8° | 120.4° |
| C16 | C1 | N | C | 159.7° | 67.7° |
| C16 | C1 | C2 | C5 | 49.1° | 77.1° |
| C16 | C1 | C2 | C3 | 130.0° | 102.8° |
| C16 | C1 | N | H1 | 38.8° | 55.6° |
| C1 | C16 | H8 | H9 | 120.0° | 120.0° |
| C1 | C16 | H8 | H10 | 120.0° | 120.0° |
| C1 | C16 | H9 | H10 | 120.0° | 120.1° |
| C16 | C1 | C17 | H11 | 48.7° | 60.5° |
| C16 | C1 | C17 | H12 | 166.7° | 179.5° |
| C1 | N | C | H1 | 120.9° | 123.3° |
| N | C1 | C2 | C5 | 163.6° | 162.5° |
| N | C1 | C2 | C3 | 15.5° | 17.6° |
| C1 | N | C | C4 | 57.5° | 71.3° |
| C1 | N | C | H3 | 177.5° | 48.4° |
| C1 | N | C | H4 | 62.6° | 169.0° |
| N | C1 | C16 | H8 | 64.6° | 60.0° |
| N | C1 | C16 | H9 | 175.4° | 180.0° |
| N | C1 | C16 | H10 | 55.4° | 59.9° |
| N | C1 | C17 | H11 | 66.5° | 180.0° |
| N | C1 | C17 | H12 | 51.5° | 60.0° |
| C2 | C1 | N | C | 45.0° | 52.6° |
| C1 | C2 | C5 | C3 | 179.1° | 179.9° |
| C1 | C2 | C5 | C6 | 179.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.4° |
| C1 | C2 | C3 | C8 | 178.1° | 179.7° |
| C2 | C1 | N | H1 | 76.0° | 176.0° |
| C2 | C1 | C16 | H8 | 54.0° | 61.1° |
| C2 | C1 | C16 | H9 | 66.0° | 58.9° |
| C2 | C1 | C16 | H10 | 174.0° | 179.0° |
| C2 | C1 | C17 | H11 | 170.0° | 59.0° |
| C2 | C1 | C17 | H12 | 72.0° | 61.0° |
| C1 | C2 | C5 | H28 | 1.0° | 0.2° |
| C15 | C10 | C11 | O9 | 179.3° | 179.7° |
| C15 | C10 | O9 | C6 | 5.8° | 112.7° |
| C15 | C10 | C11 | H5 | 179.0° | 179.7° |
| C10 | C15 | C14 | H6 | 179.1° | 179.7° |
| C11 | C10 | O9 | C6 | 173.5° | 67.6° |
| C11 | C10 | C15 | H7 | 178.6° | 180.0° |
| C10 | O9 | C6 | C5 | 111.6° | 6.2° |
| C10 | O9 | C6 | C7 | 69.4° | 173.7° |
| O9 | C10 | C11 | H5 | 1.7° | 0.0° |
| O9 | C10 | C15 | H7 | 2.1° | 0.3° |
| N | C | C4 | H3 | 120.1° | 119.7° |
| N | C | C4 | H4 | 120.1° | 119.7° |
| N | C | C4 | C3 | 39.1° | 50.4° |
| N | C | H3 | H4 | 119.8° | 120.4° |
| N | C | C4 | H26 | 81.6° | 170.5° |
| N | C | C4 | H27 | 159.8° | 69.8° |
| C2 | C5 | C6 | H28 | 180.0° | 179.9° |
| C2 | C5 | C6 | O9 | 179.8° | 179.9° |
| C2 | C5 | C6 | C7 | 1.1° | 0.1° |
| C5 | C2 | C3 | C4 | 178.7° | 179.7° |
| C5 | C2 | C3 | C8 | 1.0° | 0.2° |
| C6 | C5 | C2 | C3 | 0.1° | 0.0° |
| C5 | C6 | O9 | C7 | 179.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.5° | 0.1° |
| C5 | C6 | C7 | O | 177.0° | 179.9° |
| C2 | C3 | C4 | C | 12.9° | 16.8° |
| C2 | C3 | C4 | C8 | 177.8° | 179.9° |
| C2 | C3 | C8 | C7 | 0.6° | 0.2° |
| C2 | C3 | C4 | H26 | 107.8° | 137.0° |
| C2 | C3 | C4 | H27 | 133.6° | 103.3° |
| C3 | C2 | C5 | H28 | 179.9° | 179.9° |
| C2 | C3 | C8 | H29 | 179.4° | 179.8° |
| O9 | C6 | C7 | C8 | 179.5° | 179.9° |
| O9 | C6 | C7 | O | 2.0° | 0.0° |
| O9 | C6 | C5 | H28 | 0.2° | 0.0° |
| C | C4 | C3 | H26 | 120.7° | 120.2° |
| C | C4 | C3 | H27 | 120.7° | 120.1° |
| C | C4 | C3 | C8 | 169.3° | 163.3° |
| C4 | C | N | H1 | 63.5° | 165.3° |
| C4 | C | H3 | H4 | 119.8° | 120.5° |
| C | C4 | H26 | H27 | 117.8° | 119.7° |
| C6 | C7 | C8 | C3 | 0.7° | 0.1° |
| C6 | C7 | C8 | O | 178.4° | 179.9° |
| C6 | C7 | O | C25 | 145.1° | 180.0° |
| C7 | C6 | C5 | H28 | 178.9° | 179.9° |
| C6 | C7 | C8 | H29 | 179.3° | 180.0° |
| C4 | C3 | C8 | C7 | 178.5° | 179.7° |
| C3 | C4 | C | H3 | 159.2° | 69.4° |
| C3 | C4 | C | H4 | 81.0° | 170.0° |
| C3 | C4 | H26 | H27 | 117.8° | 119.7° |
| C4 | C3 | C8 | H29 | 1.5° | 0.3° |
| C3 | C8 | C7 | H29 | 180.0° | 179.9° |
| C3 | C8 | C7 | O | 177.8° | 179.9° |
| C8 | C3 | C4 | H26 | 70.0° | 43.1° |
| C8 | C3 | C4 | H27 | 48.6° | 76.6° |
| C8 | C7 | O | C25 | 36.4° | 0.0° |
| C7 | O | C25 | C26 | 145.3° | 180.0° |
| C7 | O | C25 | H15 | 96.7° | 60.0° |
| C7 | O | C25 | H16 | 27.4° | 60.0° |
| O | C7 | C8 | H29 | 2.2° | 0.1° |
| O | C25 | C26 | C31 | 162.0° | 175.0° |
| O | C25 | C26 | H15 | 118.0° | 120.0° |
| O | C25 | C26 | H16 | 118.0° | 120.0° |
| O | C25 | C26 | O27 | 64.9° | 65.1° |
| O | C25 | H15 | H16 | 125.7° | 120.0° |
| O | C25 | C26 | H17 | 47.7° | 55.0° |
| C31 | C30 | C29 | H22 | 120.5° | 119.9° |
| C31 | C30 | C29 | H23 | 120.4° | 119.8° |
| C30 | C31 | C26 | H24 | 119.5° | 119.9° |
| C30 | C31 | C26 | H25 | 119.5° | 119.9° |
| C30 | C31 | C26 | C25 | 167.9° | 177.6° |
| C30 | C31 | C26 | O27 | 60.5° | 57.6° |
| C31 | C30 | C29 | C28 | 48.2° | 57.0° |
| C30 | C31 | C26 | H17 | 53.5° | 62.4° |
| C31 | C30 | C29 | H20 | 72.2° | 176.9° |
| C31 | C30 | C29 | H21 | 168.7° | 62.9° |
| C31 | C30 | H22 | H23 | 118.6° | 120.2° |
| C30 | C31 | H24 | H25 | 121.5° | 120.2° |
| C29 | C30 | C31 | C26 | 49.4° | 57.0° |
| C30 | C29 | C28 | H20 | 120.5° | 119.9° |
| C30 | C29 | C28 | H21 | 120.5° | 120.0° |
| C30 | C29 | C28 | O27 | 52.0° | 57.6° |
| C30 | C29 | C28 | H18 | 172.1° | 177.6° |
| C30 | C29 | C28 | H19 | 68.2° | 62.3° |
| C30 | C29 | H20 | H21 | 118.5° | 120.2° |
| C29 | C30 | H22 | H23 | 118.6° | 120.2° |
| C29 | C30 | C31 | H24 | 168.9° | 62.9° |
| C29 | C30 | C31 | H25 | 70.1° | 176.9° |
| C31 | C26 | C25 | O27 | 133.1° | 119.9° |
| C31 | C26 | C25 | H17 | 114.3° | 120.0° |
| C31 | C26 | O27 | H17 | 113.6° | 120.0° |
| C31 | C26 | O27 | C28 | 67.1° | 61.2° |
| C31 | C26 | C25 | H15 | 80.0° | 65.0° |
| C31 | C26 | C25 | H16 | 44.1° | 55.0° |
| C26 | C31 | C30 | H22 | 169.9° | 62.9° |
| C26 | C31 | C30 | H23 | 71.0° | 176.8° |
| C26 | C31 | H24 | H25 | 121.5° | 120.2° |
| C25 | C26 | O27 | H17 | 112.2° | 120.0° |
| C25 | C26 | O27 | C28 | 158.7° | 178.9° |
| C26 | C25 | H15 | H16 | 125.7° | 120.0° |
| C25 | C26 | C31 | H24 | 48.4° | 57.7° |
| C25 | C26 | C31 | H25 | 72.6° | 62.5° |
| C26 | O27 | C28 | C29 | 59.3° | 61.1° |
| O27 | C26 | C25 | H15 | 53.1° | 55.0° |
| O27 | C26 | C25 | H16 | 177.1° | 175.0° |
| C26 | O27 | C28 | H18 | 179.5° | 178.8° |
| C26 | O27 | C28 | H19 | 60.8° | 58.8° |
| O27 | C26 | C31 | H24 | 180.0° | 62.3° |
| O27 | C26 | C31 | H25 | 59.0° | 177.5° |
| C29 | C28 | O27 | H18 | 120.1° | 120.0° |
| C29 | C28 | O27 | H19 | 120.2° | 120.0° |
| C29 | C28 | H18 | H19 | 119.6° | 120.1° |
| C28 | C29 | H20 | H21 | 118.5° | 120.1° |
| C28 | C29 | C30 | H22 | 168.7° | 62.9° |
| C28 | C29 | C30 | H23 | 72.2° | 176.8° |
| C28 | O27 | C26 | H17 | 46.5° | 58.8° |
| O27 | C28 | H18 | H19 | 119.6° | 120.0° |
| O27 | C28 | C29 | H20 | 68.5° | 177.5° |
| O27 | C28 | C29 | H21 | 172.5° | 62.4° |
| H1 | N | C | H3 | 56.6° | 74.9° |
| H1 | N | C | H4 | 176.5° | 45.7° |
| H3 | C | C4 | H26 | 38.5° | 50.8° |
| H3 | C | C4 | H27 | 80.1° | 170.5° |
| H4 | C | C4 | H26 | 158.3° | 69.8° |
| H4 | C | C4 | H27 | 39.7° | 49.9° |
| H6 | C14 | C15 | H7 | 0.9° | 0.3° |
| H8 | C16 | H9 | H10 | 120.0° | 119.9° |
| H13 | C23 | C24 | H14 | 0.0° | 0.1° |
| H15 | C25 | C26 | H17 | 165.7° | 175.0° |
| H16 | C25 | C26 | H17 | 70.3° | 65.0° |
| H17 | C26 | C31 | H24 | 66.0° | 177.7° |
| H17 | C26 | C31 | H25 | 173.0° | 57.5° |
| H18 | C28 | C29 | H20 | 51.6° | 62.5° |
| H18 | C28 | C29 | H21 | 67.4° | 57.6° |
| H19 | C28 | C29 | H20 | 171.3° | 57.6° |
| H19 | C28 | C29 | H21 | 52.3° | 177.7° |
| H20 | C29 | C30 | H22 | 48.2° | 57.0° |
| H20 | C29 | C30 | H23 | 167.4° | 63.3° |
| H21 | C29 | C30 | H22 | 70.8° | 177.2° |
| H21 | C29 | C30 | H23 | 48.3° | 56.9° |
| H22 | C30 | C31 | H24 | 70.6° | 177.2° |
| H22 | C30 | C31 | H25 | 50.4° | 57.0° |
| H23 | C30 | C31 | H24 | 48.5° | 57.0° |
| H23 | C30 | C31 | H25 | 169.5° | 63.3° |
