8VX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| CL2 | C9 | sing | 1.74Å | 1.72Å | |
| C24 | O23 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | O23 | sing | 1.36Å | 1.35Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C63 | N62 | sing | 1.47Å | 1.47Å | |
| C11 | C3 | sing | 1.53Å | 1.54Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| C3 | C1 | sing | 1.51Å | 1.53Å | |
| N12 | C13 | sing | 1.39Å | 1.39Å | |
| N62 | N14 | sing | 1.40Å | 1.36Å | |
| N62 | C68 | sing | 1.47Å | 1.45Å | |
| C13 | N14 | doub | 1.29Å | 1.28Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C1 | O2 | doub | 1.21Å | 1.22Å | |
| C1 | N16 | sing | 1.35Å | 1.32Å | |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | C17 | sing | 1.46Å | 1.47Å | |
| O32 | S31 | doub | 1.42Å | 1.46Å | |
| O30 | C19 | doub | 1.21Å | 1.22Å | |
| C17 | C19 | sing | 1.51Å | 1.52Å | |
| O33 | S31 | doub | 1.42Å | 1.46Å | |
| C19 | N20 | sing | 1.35Å | 1.34Å | |
| S31 | C72 | sing | 1.81Å | 1.82Å | |
| S31 | C26 | sing | 1.76Å | 1.80Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| N20 | C21 | sing | 1.40Å | 1.42Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C63 | H13 | sing | 1.09Å | 1.10Å | |
| C63 | H14 | sing | 1.09Å | 1.10Å | |
| C63 | H15 | sing | 1.09Å | 1.10Å | |
| C68 | H16 | sing | 1.09Å | 1.10Å | |
| C68 | H17 | sing | 1.09Å | 1.10Å | |
| C68 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| N20 | H23 | sing | 0.97Å | 1.00Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C72 | H28 | sing | 1.09Å | 1.10Å | |
| C72 | H29 | sing | 1.09Å | 1.10Å | |
| C72 | H30 | sing | 1.09Å | 1.10Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 120.9° | 120.1° |
| C8 | C7 | C6 | 120.6° | 120.0° |
| C7 | C8 | H2 | 119.5° | 120.0° |
| C8 | C7 | H3 | 119.7° | 120.0° |
| C8 | C9 | CL2 | 120.4° | 120.0° |
| C8 | C9 | C10 | 119.7° | 120.1° |
| C9 | C8 | H2 | 119.6° | 119.9° |
| C7 | C6 | O23 | 123.0° | 120.1° |
| C7 | C6 | C5 | 117.9° | 119.9° |
| C6 | C7 | H3 | 119.7° | 120.0° |
| CL2 | C9 | C10 | 119.9° | 120.0° |
| C24 | O23 | C6 | 120.4° | 117.0° |
| O23 | C24 | H4 | 109.5° | 109.5° |
| O23 | C24 | H5 | 109.5° | 109.4° |
| O23 | C24 | H6 | 109.5° | 109.5° |
| C9 | C10 | C5 | 119.5° | 120.1° |
| C9 | C10 | H1 | 120.2° | 120.0° |
| O23 | C6 | C5 | 119.0° | 120.0° |
| C6 | C5 | C10 | 121.4° | 119.9° |
| C6 | C5 | C4 | 123.3° | 120.0° |
| C10 | C5 | C4 | 115.3° | 120.1° |
| C5 | C10 | H1 | 120.3° | 119.9° |
| C5 | C4 | C3 | 113.6° | 109.5° |
| C5 | C4 | H7 | 108.4° | 109.4° |
| C5 | C4 | H8 | 108.4° | 109.5° |
| C4 | C3 | C11 | 113.9° | 109.5° |
| C4 | C3 | C1 | 110.9° | 109.5° |
| C3 | C4 | H7 | 108.4° | 109.4° |
| C3 | C4 | H8 | 108.4° | 109.5° |
| C4 | C3 | H9 | 105.7° | 109.5° |
| C63 | N62 | N14 | 112.2° | 120.0° |
| C63 | N62 | C68 | 119.7° | 120.0° |
| N62 | C63 | H13 | 109.5° | 109.5° |
| N62 | C63 | H14 | 109.5° | 109.5° |
| N62 | C63 | H15 | 109.5° | 109.5° |
| C3 | C11 | N12 | 117.6° | 109.2° |
| C11 | C3 | C1 | 114.1° | 109.2° |
| C11 | C3 | H9 | 105.6° | 109.6° |
| C3 | C11 | H10 | 107.4° | 109.5° |
| C3 | C11 | H11 | 107.4° | 109.5° |
| C11 | N12 | C13 | 129.3° | 119.9° |
| N12 | C11 | H10 | 107.4° | 109.6° |
| N12 | C11 | H11 | 107.4° | 109.5° |
| C11 | N12 | H12 | 115.4° | 120.1° |
| C3 | C1 | O2 | 118.7° | 119.7° |
| C3 | C1 | N16 | 119.2° | 120.6° |
| C1 | C3 | H9 | 105.7° | 109.5° |
| N12 | C13 | N14 | 125.9° | 120.4° |
| N12 | C13 | C15 | 121.9° | 119.3° |
| C13 | N12 | H12 | 115.3° | 120.0° |
| N14 | N62 | C68 | 112.6° | 120.0° |
| N62 | N14 | C13 | 118.0° | 120.0° |
| N62 | C68 | H16 | 109.5° | 109.5° |
| N62 | C68 | H17 | 109.5° | 109.5° |
| N62 | C68 | H18 | 109.4° | 109.4° |
| N14 | C13 | C15 | 112.2° | 120.3° |
| C13 | C15 | N16 | 122.4° | 108.6° |
| C13 | C15 | H19 | 106.2° | 109.5° |
| C13 | C15 | H20 | 106.2° | 109.6° |
| O2 | C1 | N16 | 121.9° | 119.7° |
| C1 | N16 | C15 | 122.6° | 119.5° |
| C1 | N16 | C17 | 121.6° | 120.2° |
| C15 | N16 | C17 | 115.5° | 120.3° |
| N16 | C15 | H19 | 106.1° | 109.8° |
| N16 | C15 | H20 | 106.1° | 109.6° |
| N16 | C17 | C19 | 113.7° | 109.5° |
| N16 | C17 | H21 | 108.4° | 109.5° |
| N16 | C17 | H22 | 108.4° | 109.5° |
| O32 | S31 | O33 | 111.6° | 121.1° |
| O32 | S31 | C72 | 107.6° | 110.6° |
| O32 | S31 | C26 | 105.8° | 104.2° |
| O30 | C19 | C17 | 115.5° | 120.0° |
| O30 | C19 | N20 | 126.3° | 120.0° |
| C17 | C19 | N20 | 118.2° | 120.0° |
| C19 | C17 | H21 | 108.4° | 109.5° |
| C19 | C17 | H22 | 108.4° | 109.5° |
| O33 | S31 | C72 | 109.2° | 110.6° |
| O33 | S31 | C26 | 111.4° | 104.3° |
| C19 | N20 | C21 | 127.9° | 120.0° |
| C19 | N20 | H23 | 116.0° | 120.0° |
| C72 | S31 | C26 | 111.2° | 104.4° |
| S31 | C72 | H28 | 109.5° | 109.5° |
| S31 | C72 | H29 | 109.5° | 109.5° |
| S31 | C72 | H30 | 109.5° | 109.5° |
| S31 | C26 | C25 | 117.5° | 120.0° |
| S31 | C26 | C27 | 123.2° | 120.0° |
| C26 | C25 | C21 | 122.3° | 119.9° |
| C25 | C26 | C27 | 119.3° | 120.1° |
| C26 | C25 | H24 | 118.9° | 120.0° |
| C25 | C21 | N20 | 124.5° | 120.1° |
| C25 | C21 | C29 | 117.4° | 119.9° |
| C21 | C25 | H24 | 118.8° | 120.0° |
| N20 | C21 | C29 | 118.1° | 120.1° |
| C21 | N20 | H23 | 116.0° | 120.0° |
| C26 | C27 | C28 | 119.0° | 120.2° |
| C26 | C27 | H27 | 120.5° | 119.9° |
| C21 | C29 | C28 | 120.5° | 119.9° |
| C21 | C29 | H25 | 119.7° | 120.1° |
| C27 | C28 | C29 | 121.5° | 120.0° |
| C27 | C28 | H26 | 119.2° | 120.0° |
| C28 | C27 | H27 | 120.5° | 119.9° |
| C28 | C29 | H25 | 119.8° | 120.0° |
| C29 | C28 | H26 | 119.3° | 120.0° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H6 | 109.4° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.6° |
| H13 | C63 | H14 | 109.4° | 109.5° |
| H13 | C63 | H15 | 109.4° | 109.5° |
| H14 | C63 | H15 | 109.5° | 109.5° |
| H16 | C68 | H17 | 109.4° | 109.5° |
| H16 | C68 | H18 | 109.5° | 109.5° |
| H17 | C68 | H18 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.7° |
| H21 | C17 | H22 | 109.5° | 109.4° |
| H28 | C72 | H29 | 109.4° | 109.5° |
| H28 | C72 | H30 | 109.5° | 109.5° |
| H29 | C72 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | CL2 | 179.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.7° | 0.2° |
| C8 | C7 | C6 | O23 | 179.7° | 180.0° |
| C8 | C7 | C6 | C5 | 0.4° | 0.2° |
| C9 | C8 | C7 | C6 | 1.2° | 0.0° |
| C8 | C9 | CL2 | C10 | 179.3° | 179.8° |
| C8 | C9 | C10 | C5 | 0.5° | 0.2° |
| C8 | C9 | C10 | H1 | 179.5° | 179.8° |
| C9 | C8 | C7 | H3 | 178.8° | 179.9° |
| C7 | C6 | O23 | C24 | 0.7° | 3.1° |
| C7 | C6 | O23 | C5 | 179.2° | 179.8° |
| C7 | C6 | C5 | C10 | 1.6° | 0.3° |
| C7 | C6 | C5 | C4 | 180.0° | 179.7° |
| C6 | C7 | C8 | H2 | 178.8° | 180.0° |
| CL2 | C9 | C10 | C5 | 179.9° | 180.0° |
| CL2 | C9 | C10 | H1 | 0.2° | 0.0° |
| CL2 | C9 | C8 | H2 | 1.0° | 0.0° |
| C24 | O23 | C6 | C5 | 179.9° | 176.7° |
| O23 | C24 | H4 | H5 | 120.0° | 119.9° |
| O23 | C24 | H4 | H6 | 120.0° | 120.0° |
| O23 | C24 | H5 | H6 | 120.0° | 120.0° |
| C9 | C10 | C5 | C6 | 1.1° | 0.1° |
| C9 | C10 | C5 | H1 | 180.0° | 180.0° |
| C9 | C10 | C5 | C4 | 179.6° | 180.0° |
| C10 | C9 | C8 | H2 | 178.3° | 179.8° |
| O23 | C6 | C5 | C10 | 179.1° | 180.0° |
| O23 | C6 | C5 | C4 | 0.8° | 0.0° |
| O23 | C6 | C7 | H3 | 0.3° | 0.1° |
| C6 | O23 | C24 | H4 | 180.0° | 180.0° |
| C6 | O23 | C24 | H5 | 60.0° | 60.0° |
| C6 | O23 | C24 | H6 | 60.0° | 60.0° |
| C6 | C5 | C10 | C4 | 178.5° | 180.0° |
| C6 | C5 | C4 | C3 | 77.4° | 98.6° |
| C6 | C5 | C10 | H1 | 178.9° | 179.9° |
| C5 | C6 | C7 | H3 | 179.5° | 179.7° |
| C6 | C5 | C4 | H7 | 43.2° | 141.5° |
| C6 | C5 | C4 | H8 | 162.0° | 21.4° |
| C10 | C5 | C4 | C3 | 101.0° | 81.4° |
| C10 | C5 | C4 | H7 | 138.3° | 38.5° |
| C10 | C5 | C4 | H8 | 19.6° | 158.6° |
| C5 | C4 | C3 | H7 | 120.6° | 119.9° |
| C5 | C4 | C3 | H8 | 120.6° | 120.0° |
| C5 | C4 | C3 | C11 | 50.1° | 91.7° |
| C5 | C4 | C3 | C1 | 179.5° | 148.6° |
| C4 | C5 | C10 | H1 | 0.4° | 0.0° |
| C5 | C4 | H7 | H8 | 118.1° | 120.1° |
| C5 | C4 | C3 | H9 | 65.4° | 28.5° |
| C4 | C3 | C11 | C1 | 128.8° | 119.9° |
| C4 | C3 | C11 | H9 | 115.6° | 120.1° |
| C4 | C3 | C11 | N12 | 162.7° | 37.3° |
| C4 | C3 | C1 | H9 | 114.2° | 120.1° |
| C4 | C3 | C1 | O2 | 19.0° | 131.4° |
| C4 | C3 | C1 | N16 | 165.6° | 49.0° |
| C3 | C4 | H7 | H8 | 118.1° | 120.0° |
| C4 | C3 | C11 | H10 | 76.2° | 82.6° |
| C4 | C3 | C11 | H11 | 41.5° | 157.2° |
| C63 | N62 | N14 | C68 | 138.5° | 180.0° |
| C63 | N62 | N14 | C13 | 111.3° | 114.3° |
| N62 | C63 | H13 | H14 | 120.0° | 120.0° |
| N62 | C63 | H13 | H15 | 120.0° | 120.0° |
| N62 | C63 | H14 | H15 | 120.0° | 120.0° |
| C63 | N62 | C68 | H16 | 180.0° | 174.5° |
| C63 | N62 | C68 | H17 | 60.0° | 54.5° |
| C63 | N62 | C68 | H18 | 60.0° | 65.5° |
| C3 | C11 | N12 | H10 | 121.2° | 119.9° |
| C3 | C11 | N12 | H11 | 121.2° | 119.9° |
| C11 | C3 | C1 | H9 | 115.6° | 120.0° |
| C3 | C11 | N12 | C13 | 19.3° | 59.3° |
| C11 | C3 | C1 | O2 | 111.3° | 108.8° |
| C11 | C3 | C1 | N16 | 64.2° | 70.9° |
| C11 | C3 | C4 | H7 | 170.7° | 148.4° |
| C11 | C3 | C4 | H8 | 70.5° | 28.3° |
| C3 | C11 | H10 | H11 | 116.3° | 120.1° |
| C3 | C11 | N12 | H12 | 160.7° | 120.7° |
| N12 | C11 | C3 | C1 | 68.5° | 82.6° |
| C11 | N12 | C13 | H12 | 180.0° | 179.9° |
| C11 | N12 | C13 | N14 | 179.2° | 121.2° |
| C11 | N12 | C13 | C15 | 1.6° | 58.8° |
| N12 | C11 | C3 | H9 | 47.1° | 157.4° |
| N12 | C11 | H10 | H11 | 116.3° | 120.1° |
| C3 | C1 | O2 | N16 | 175.3° | 179.7° |
| C3 | C1 | N16 | C15 | 5.4° | 3.5° |
| C3 | C1 | N16 | C17 | 179.5° | 176.7° |
| C1 | C3 | C4 | H7 | 58.9° | 28.6° |
| C1 | C3 | C4 | H8 | 59.9° | 91.4° |
| C1 | C3 | C11 | H10 | 52.7° | 157.5° |
| C1 | C3 | C11 | H11 | 170.3° | 37.3° |
| N12 | C13 | N14 | N62 | 0.5° | 3.0° |
| N12 | C13 | N14 | C15 | 177.9° | 180.0° |
| N12 | C13 | C15 | N16 | 39.1° | 78.3° |
| C13 | N12 | C11 | H10 | 101.8° | 179.2° |
| C13 | N12 | C11 | H11 | 140.5° | 60.6° |
| N12 | C13 | C15 | H19 | 160.8° | 41.5° |
| N12 | C13 | C15 | H20 | 82.7° | 161.9° |
| N62 | N14 | C13 | C15 | 178.4° | 177.1° |
| N14 | N62 | C63 | H13 | 180.0° | 90.0° |
| N14 | N62 | C63 | H14 | 60.0° | 150.0° |
| N14 | N62 | C63 | H15 | 60.0° | 30.0° |
| N14 | N62 | C68 | H16 | 45.0° | 5.4° |
| N14 | N62 | C68 | H17 | 164.9° | 125.5° |
| N14 | N62 | C68 | H18 | 75.1° | 114.5° |
| C68 | N62 | N14 | C13 | 110.2° | 65.7° |
| C68 | N62 | C63 | H13 | 44.7° | 90.0° |
| C68 | N62 | C63 | H14 | 164.7° | 30.0° |
| C68 | N62 | C63 | H15 | 75.2° | 150.0° |
| N62 | C68 | H16 | H17 | 120.0° | 120.1° |
| N62 | C68 | H16 | H18 | 120.0° | 120.0° |
| N62 | C68 | H17 | H18 | 120.0° | 120.0° |
| N14 | C13 | C15 | N16 | 143.0° | 101.6° |
| N14 | C13 | C15 | H19 | 21.2° | 138.5° |
| N14 | C13 | C15 | H20 | 95.3° | 18.1° |
| N14 | C13 | N12 | H12 | 0.8° | 58.9° |
| C13 | C15 | N16 | C1 | 60.3° | 68.5° |
| C13 | C15 | N16 | H19 | 121.8° | 119.7° |
| C13 | C15 | N16 | H20 | 121.8° | 119.7° |
| C13 | C15 | N16 | C17 | 125.2° | 111.7° |
| C13 | C15 | H19 | H20 | 114.2° | 120.3° |
| C15 | C13 | N12 | H12 | 178.4° | 121.2° |
| O2 | C1 | N16 | C15 | 179.4° | 176.8° |
| O2 | C1 | N16 | C17 | 5.2° | 3.0° |
| O2 | C1 | C3 | H9 | 133.2° | 11.3° |
| C1 | N16 | C15 | C17 | 174.5° | 179.8° |
| C1 | N16 | C17 | C19 | 63.9° | 93.2° |
| N16 | C1 | C3 | H9 | 51.4° | 169.0° |
| C1 | N16 | C15 | H19 | 177.9° | 51.2° |
| C1 | N16 | C15 | H20 | 61.5° | 171.8° |
| C1 | N16 | C17 | H21 | 56.7° | 146.8° |
| C1 | N16 | C17 | H22 | 175.5° | 26.8° |
| C15 | N16 | C17 | C19 | 110.7° | 86.6° |
| N16 | C15 | H19 | H20 | 114.2° | 120.5° |
| C15 | N16 | C17 | H21 | 128.7° | 33.4° |
| C15 | N16 | C17 | H22 | 9.9° | 153.4° |
| N16 | C17 | C19 | O30 | 45.3° | 5.2° |
| N16 | C17 | C19 | H21 | 120.6° | 120.0° |
| N16 | C17 | C19 | H22 | 120.6° | 120.0° |
| N16 | C17 | C19 | N20 | 134.3° | 174.8° |
| C17 | N16 | C15 | H19 | 3.4° | 128.5° |
| C17 | N16 | C15 | H20 | 113.0° | 8.0° |
| N16 | C17 | H21 | H22 | 118.1° | 120.0° |
| O32 | S31 | O33 | C72 | 118.8° | 131.6° |
| O32 | S31 | O33 | C26 | 118.1° | 116.7° |
| O32 | S31 | C72 | C26 | 115.5° | 111.6° |
| O32 | S31 | C26 | C25 | 24.5° | 153.9° |
| O32 | S31 | C26 | C27 | 154.2° | 26.1° |
| O32 | S31 | C72 | H28 | 180.0° | 51.6° |
| O32 | S31 | C72 | H29 | 60.0° | 68.4° |
| O32 | S31 | C72 | H30 | 60.0° | 171.6° |
| O30 | C19 | C17 | N20 | 179.6° | 180.0° |
| O30 | C19 | N20 | C21 | 0.7° | 6.6° |
| O30 | C19 | C17 | H21 | 165.9° | 114.8° |
| O30 | C19 | C17 | H22 | 75.3° | 125.2° |
| O30 | C19 | N20 | H23 | 179.3° | 173.3° |
| C17 | C19 | N20 | C21 | 179.8° | 173.4° |
| C19 | C17 | H21 | H22 | 118.1° | 120.0° |
| C17 | C19 | N20 | H23 | 0.2° | 6.7° |
| O33 | S31 | C72 | C26 | 123.3° | 111.6° |
| O33 | S31 | C26 | C25 | 146.0° | 26.1° |
| O33 | S31 | C26 | C27 | 32.8° | 153.9° |
| O33 | S31 | C72 | H28 | 58.8° | 171.6° |
| O33 | S31 | C72 | H29 | 178.8° | 68.4° |
| O33 | S31 | C72 | H30 | 61.2° | 51.6° |
| C19 | N20 | C21 | C25 | 3.6° | 145.6° |
| C19 | N20 | C21 | H23 | 180.0° | 179.9° |
| C19 | N20 | C21 | C29 | 176.6° | 34.1° |
| N20 | C19 | C17 | H21 | 13.7° | 65.2° |
| N20 | C19 | C17 | H22 | 105.1° | 54.8° |
| C72 | S31 | C26 | C25 | 92.0° | 90.0° |
| C72 | S31 | C26 | C27 | 89.2° | 90.0° |
| S31 | C72 | H28 | H29 | 120.0° | 120.0° |
| S31 | C72 | H28 | H30 | 120.0° | 120.1° |
| S31 | C72 | H29 | H30 | 120.0° | 120.0° |
| S31 | C26 | C25 | C27 | 178.8° | 180.0° |
| S31 | C26 | C25 | C21 | 179.2° | 180.0° |
| S31 | C26 | C27 | C28 | 180.0° | 179.8° |
| S31 | C26 | C25 | H24 | 0.8° | 0.0° |
| S31 | C26 | C27 | H27 | 0.1° | 0.0° |
| C26 | S31 | C72 | H28 | 64.5° | 60.0° |
| C26 | S31 | C72 | H29 | 55.5° | 180.0° |
| C26 | S31 | C72 | H30 | 175.5° | 60.0° |
| C26 | C25 | C21 | H24 | 180.0° | 180.0° |
| C26 | C25 | C21 | N20 | 179.7° | 180.0° |
| C26 | C25 | C21 | C29 | 0.5° | 0.3° |
| C25 | C26 | C27 | C28 | 1.2° | 0.2° |
| C25 | C26 | C27 | H27 | 178.8° | 180.0° |
| C25 | C21 | N20 | C29 | 179.8° | 179.7° |
| C21 | C25 | C26 | C27 | 0.4° | 0.0° |
| C25 | C21 | C29 | C28 | 0.7° | 0.3° |
| C25 | C21 | N20 | H23 | 176.4° | 34.3° |
| C25 | C21 | C29 | H25 | 179.3° | 179.7° |
| N20 | C21 | C29 | C28 | 179.5° | 180.0° |
| N20 | C21 | C25 | H24 | 0.3° | 0.0° |
| N20 | C21 | C29 | H25 | 0.5° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 1.1° | 0.2° |
| C27 | C26 | C25 | H24 | 179.6° | 180.0° |
| C26 | C27 | C28 | H26 | 178.9° | 179.7° |
| C21 | C29 | C28 | C27 | 0.1° | 0.0° |
| C21 | C29 | C28 | H25 | 180.0° | 180.0° |
| C29 | C21 | N20 | H23 | 3.4° | 146.0° |
| C29 | C21 | C25 | H24 | 179.5° | 179.7° |
| C21 | C29 | C28 | H26 | 179.8° | 180.0° |
| C27 | C28 | C29 | H26 | 180.0° | 180.0° |
| C27 | C28 | C29 | H25 | 179.9° | 180.0° |
| C29 | C28 | C27 | H27 | 178.9° | 180.0° |
| H2 | C8 | C7 | H3 | 1.2° | 0.1° |
| H4 | C24 | H5 | H6 | 119.9° | 120.0° |
| H7 | C4 | C3 | H9 | 55.2° | 91.4° |
| H8 | C4 | C3 | H9 | 174.0° | 148.5° |
| H9 | C3 | C11 | H10 | 168.3° | 37.5° |
| H9 | C3 | C11 | H11 | 74.0° | 82.7° |
| H10 | C11 | N12 | H12 | 78.2° | 0.8° |
| H11 | C11 | N12 | H12 | 39.5° | 119.5° |
| H13 | C63 | H14 | H15 | 119.9° | 120.0° |
| H16 | C68 | H17 | H18 | 120.0° | 120.0° |
| H25 | C29 | C28 | H26 | 0.2° | 0.0° |
| H26 | C28 | C27 | H27 | 1.1° | 0.0° |
| H28 | C72 | H29 | H30 | 120.0° | 120.0° |
