A1H6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | S8 | sing | 1.71Å | 1.74Å | Aromatic |
| C9 | N10 | doub | 1.28Å | 1.30Å | Aromatic |
| S8 | C7 | sing | 1.76Å | 1.73Å | Aromatic |
| N10 | C6 | sing | 1.35Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | O15 | sing | 1.45Å | 1.45Å | |
| C11 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| O15 | C14 | sing | 1.34Å | 1.35Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | S2 | sing | 1.76Å | 1.76Å | |
| C14 | O17 | doub | 1.21Å | 1.21Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| O38 | S2 | doub | 1.42Å | 1.43Å | |
| S2 | N12 | sing | 1.66Å | 1.64Å | |
| S2 | O1 | doub | 1.42Å | 1.43Å | |
| N12 | C13 | sing | 1.46Å | 1.48Å | |
| N12 | C18 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.48Å | 1.49Å | |
| N23 | C22 | sing | 1.47Å | 1.48Å | |
| N23 | C24 | sing | 1.47Å | 1.49Å | |
| C28 | C35 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | CL36 | sing | 1.74Å | 1.74Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| N23 | H20 | sing | 1.01Å | 1.00Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S8 | C9 | N10 | 117.1° | 111.5° |
| C9 | S8 | C7 | 88.7° | 90.8° |
| S8 | C9 | H3 | 121.4° | 124.2° |
| C9 | N10 | C6 | 109.6° | 117.9° |
| N10 | C9 | H3 | 121.5° | 124.3° |
| S8 | C7 | C6 | 109.8° | 108.0° |
| S8 | C7 | C11 | 128.3° | 131.7° |
| N10 | C6 | C7 | 114.8° | 111.8° |
| N10 | C6 | C5 | 126.2° | 129.7° |
| C6 | C7 | C11 | 121.8° | 120.3° |
| C7 | C6 | C5 | 118.9° | 118.5° |
| C7 | C11 | C3 | 118.2° | 120.0° |
| C7 | C11 | H4 | 120.9° | 120.0° |
| C6 | C5 | C4 | 119.9° | 120.4° |
| C6 | C5 | H2 | 120.1° | 119.8° |
| C16 | O15 | C14 | 117.4° | 117.0° |
| O15 | C16 | H7 | 109.5° | 109.5° |
| O15 | C16 | H8 | 109.5° | 109.5° |
| O15 | C16 | H9 | 109.5° | 109.5° |
| C11 | C3 | C4 | 121.6° | 120.1° |
| C11 | C3 | S2 | 118.6° | 120.0° |
| C3 | C11 | H4 | 120.9° | 120.0° |
| C5 | C4 | C3 | 119.6° | 120.8° |
| C5 | C4 | H1 | 120.2° | 119.6° |
| C4 | C5 | H2 | 120.0° | 119.8° |
| O15 | C14 | O17 | 124.2° | 120.0° |
| O15 | C14 | C13 | 111.6° | 120.0° |
| C4 | C3 | S2 | 119.6° | 120.0° |
| C3 | C4 | H1 | 120.2° | 119.7° |
| C3 | S2 | O38 | 108.3° | 106.4° |
| C3 | S2 | N12 | 109.0° | 107.2° |
| C3 | S2 | O1 | 106.5° | 106.4° |
| O17 | C14 | C13 | 124.2° | 120.0° |
| C14 | C13 | N12 | 115.0° | 109.4° |
| C14 | C13 | H5 | 108.1° | 109.5° |
| C14 | C13 | H6 | 108.0° | 109.5° |
| O38 | S2 | N12 | 105.7° | 106.4° |
| O38 | S2 | O1 | 119.9° | 123.2° |
| N12 | S2 | O1 | 107.2° | 106.4° |
| S2 | N12 | C13 | 117.4° | 120.0° |
| S2 | N12 | C18 | 117.8° | 120.0° |
| C13 | N12 | C18 | 107.5° | 120.0° |
| N12 | C13 | H5 | 108.1° | 109.5° |
| N12 | C13 | H6 | 108.1° | 109.5° |
| N12 | C18 | C19 | 113.5° | 109.5° |
| N12 | C18 | H10 | 108.5° | 109.4° |
| N12 | C18 | H11 | 108.5° | 109.5° |
| C20 | C19 | C18 | 114.1° | 109.4° |
| C19 | C20 | C21 | 116.0° | 109.5° |
| C20 | C19 | H12 | 108.3° | 109.4° |
| C20 | C19 | H13 | 108.3° | 109.5° |
| C19 | C20 | H14 | 107.8° | 109.5° |
| C19 | C20 | H15 | 107.8° | 109.5° |
| C19 | C18 | H10 | 108.5° | 109.5° |
| C19 | C18 | H11 | 108.4° | 109.5° |
| C18 | C19 | H12 | 108.3° | 109.5° |
| C18 | C19 | H13 | 108.3° | 109.5° |
| C20 | C21 | C22 | 111.9° | 109.5° |
| C21 | C20 | H14 | 107.8° | 109.5° |
| C21 | C20 | H15 | 107.8° | 109.5° |
| C20 | C21 | H16 | 108.9° | 109.5° |
| C20 | C21 | H17 | 108.9° | 109.5° |
| C26 | C27 | C28 | 120.6° | 119.9° |
| C27 | C26 | C25 | 121.7° | 120.1° |
| C27 | C26 | H24 | 119.1° | 119.9° |
| C26 | C27 | H25 | 119.7° | 120.0° |
| C27 | C28 | C29 | 116.5° | 120.1° |
| C27 | C28 | C35 | 117.3° | 119.8° |
| C28 | C27 | H25 | 119.7° | 120.1° |
| C26 | C25 | C24 | 120.6° | 119.9° |
| C26 | C25 | C37 | 118.5° | 120.3° |
| C25 | C26 | H24 | 119.2° | 119.9° |
| C31 | C32 | C33 | 119.8° | 120.2° |
| C32 | C31 | C30 | 120.3° | 120.1° |
| C32 | C31 | H27 | 119.9° | 119.9° |
| C31 | C32 | H28 | 120.1° | 119.9° |
| C32 | C33 | C34 | 120.3° | 120.1° |
| C33 | C32 | H28 | 120.1° | 119.9° |
| C32 | C33 | H29 | 119.8° | 119.9° |
| C31 | C30 | C29 | 120.8° | 119.9° |
| C31 | C30 | H26 | 119.6° | 120.0° |
| C30 | C31 | H27 | 119.8° | 120.0° |
| C21 | C22 | N23 | 111.3° | 109.5° |
| C22 | C21 | H16 | 108.9° | 109.5° |
| C22 | C21 | H17 | 108.9° | 109.5° |
| C21 | C22 | H18 | 109.0° | 109.4° |
| C21 | C22 | H19 | 109.0° | 109.5° |
| C33 | C34 | C29 | 120.7° | 119.9° |
| C34 | C33 | H29 | 119.9° | 119.9° |
| C33 | C34 | H30 | 119.6° | 120.0° |
| C30 | C29 | C34 | 118.1° | 119.7° |
| C30 | C29 | C28 | 121.0° | 120.2° |
| C29 | C30 | H26 | 119.6° | 120.0° |
| C34 | C29 | C28 | 120.9° | 120.1° |
| C29 | C34 | H30 | 119.6° | 120.1° |
| C29 | C28 | C35 | 125.2° | 120.1° |
| C22 | N23 | C24 | 112.0° | 111.0° |
| N23 | C22 | H18 | 109.0° | 109.5° |
| N23 | C22 | H19 | 109.0° | 109.5° |
| C22 | N23 | H20 | 108.8° | 111.0° |
| N23 | C24 | C25 | 110.5° | 109.5° |
| C24 | N23 | H20 | 108.8° | 111.0° |
| N23 | C24 | H22 | 109.2° | 109.5° |
| N23 | C24 | H23 | 109.2° | 109.5° |
| C28 | C35 | C37 | 121.5° | 119.8° |
| C28 | C35 | CL36 | 122.8° | 120.1° |
| C24 | C25 | C37 | 120.6° | 119.9° |
| C25 | C24 | H22 | 109.2° | 109.5° |
| C25 | C24 | H23 | 109.2° | 109.5° |
| C25 | C37 | C35 | 120.3° | 120.1° |
| C25 | C37 | H31 | 119.8° | 119.9° |
| C37 | C35 | CL36 | 115.5° | 120.1° |
| C35 | C37 | H31 | 119.9° | 119.9° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.4° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S8 | C9 | N10 | H3 | 180.0° | 180.0° |
| S8 | C9 | N10 | C6 | 0.1° | 0.0° |
| C9 | S8 | C7 | C6 | 0.1° | 0.0° |
| C9 | S8 | C7 | C11 | 177.6° | 179.7° |
| N10 | C9 | S8 | C7 | 0.0° | 0.0° |
| C9 | N10 | C6 | C7 | 0.2° | 0.0° |
| C9 | N10 | C6 | C5 | 177.0° | 180.0° |
| S8 | C7 | C6 | N10 | 0.2° | 0.0° |
| S8 | C7 | C6 | C11 | 177.6° | 179.8° |
| S8 | C7 | C6 | C5 | 177.2° | 180.0° |
| S8 | C7 | C11 | C3 | 176.4° | 179.8° |
| C7 | S8 | C9 | H3 | 180.0° | 179.9° |
| S8 | C7 | C11 | H4 | 3.6° | 0.2° |
| N10 | C6 | C7 | C5 | 177.4° | 180.0° |
| N10 | C6 | C7 | C11 | 177.9° | 179.8° |
| N10 | C6 | C5 | C4 | 177.2° | 180.0° |
| N10 | C6 | C5 | H2 | 2.8° | 0.0° |
| C6 | N10 | C9 | H3 | 179.9° | 179.9° |
| C6 | C7 | C11 | C3 | 0.8° | 0.5° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C7 | C11 | H4 | 179.2° | 179.9° |
| C11 | C7 | C6 | C5 | 0.5° | 0.2° |
| C7 | C11 | C3 | H4 | 180.0° | 179.6° |
| C7 | C11 | C3 | C4 | 0.8° | 0.5° |
| C7 | C11 | C3 | S2 | 172.7° | 179.8° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H1 | 179.9° | 179.9° |
| C16 | O15 | C14 | O17 | 1.4° | 0.0° |
| C16 | O15 | C14 | C13 | 179.9° | 180.0° |
| O15 | C16 | H7 | H8 | 120.0° | 120.0° |
| O15 | C16 | H7 | H9 | 120.0° | 120.0° |
| O15 | C16 | H8 | H9 | 120.0° | 120.0° |
| C11 | C3 | C4 | C5 | 0.4° | 0.3° |
| C11 | C3 | C4 | S2 | 173.5° | 179.7° |
| C11 | C3 | S2 | O38 | 51.5° | 156.2° |
| C11 | C3 | S2 | N12 | 63.1° | 90.2° |
| C11 | C3 | S2 | O1 | 178.4° | 23.3° |
| C11 | C3 | C4 | H1 | 179.5° | 179.8° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C5 | C4 | C3 | S2 | 173.0° | 180.0° |
| O15 | C14 | O17 | C13 | 178.6° | 180.0° |
| O15 | C14 | C13 | N12 | 29.7° | 180.0° |
| O15 | C14 | C13 | H5 | 91.1° | 60.0° |
| O15 | C14 | C13 | H6 | 150.5° | 60.0° |
| C14 | O15 | C16 | H7 | 180.0° | 180.0° |
| C14 | O15 | C16 | H8 | 60.0° | 60.0° |
| C14 | O15 | C16 | H9 | 60.0° | 60.0° |
| C4 | C3 | S2 | O38 | 122.2° | 23.5° |
| C4 | C3 | S2 | N12 | 123.3° | 90.0° |
| C4 | C3 | S2 | O1 | 7.9° | 156.5° |
| C3 | C4 | C5 | H2 | 179.9° | 180.0° |
| C4 | C3 | C11 | H4 | 179.2° | 179.9° |
| C3 | S2 | O38 | N12 | 116.7° | 114.1° |
| C3 | S2 | O38 | O1 | 122.3° | 123.0° |
| C3 | S2 | N12 | O1 | 114.9° | 113.5° |
| C3 | S2 | N12 | C13 | 140.7° | 90.0° |
| C3 | S2 | N12 | C18 | 88.3° | 90.0° |
| S2 | C3 | C4 | H1 | 7.0° | 0.1° |
| S2 | C3 | C11 | H4 | 7.3° | 0.2° |
| O17 | C14 | C13 | N12 | 151.6° | 0.0° |
| O17 | C14 | C13 | H5 | 87.6° | 120.1° |
| O17 | C14 | C13 | H6 | 30.8° | 120.0° |
| C14 | C13 | N12 | S2 | 71.0° | 95.0° |
| C14 | C13 | N12 | H5 | 120.8° | 120.0° |
| C14 | C13 | N12 | H6 | 120.8° | 120.0° |
| C14 | C13 | N12 | C18 | 153.5° | 85.0° |
| C14 | C13 | H5 | H6 | 117.4° | 120.0° |
| O38 | S2 | N12 | O1 | 128.9° | 132.9° |
| O38 | S2 | N12 | C13 | 24.5° | 156.5° |
| O38 | S2 | N12 | C18 | 155.6° | 23.6° |
| S2 | N12 | C13 | C18 | 135.6° | 179.9° |
| S2 | N12 | C18 | C19 | 112.2° | 95.0° |
| S2 | N12 | C13 | H5 | 168.2° | 145.0° |
| S2 | N12 | C13 | H6 | 49.8° | 25.0° |
| S2 | N12 | C18 | H10 | 127.2° | 145.1° |
| S2 | N12 | C18 | H11 | 8.4° | 25.0° |
| O1 | S2 | N12 | C13 | 104.4° | 23.6° |
| O1 | S2 | N12 | C18 | 26.6° | 156.5° |
| C13 | N12 | C18 | C19 | 112.4° | 84.9° |
| N12 | C13 | H5 | H6 | 117.5° | 120.1° |
| C13 | N12 | C18 | H10 | 8.2° | 35.0° |
| C13 | N12 | C18 | H11 | 127.0° | 155.0° |
| N12 | C18 | C19 | C20 | 127.4° | 180.0° |
| N12 | C18 | C19 | H10 | 120.6° | 119.9° |
| N12 | C18 | C19 | H11 | 120.6° | 120.0° |
| C18 | N12 | C13 | H5 | 32.6° | 35.0° |
| C18 | N12 | C13 | H6 | 85.7° | 155.0° |
| N12 | C18 | H10 | H11 | 118.2° | 120.0° |
| N12 | C18 | C19 | H12 | 6.8° | 60.1° |
| N12 | C18 | C19 | H13 | 111.9° | 60.0° |
| C20 | C19 | C18 | H12 | 120.7° | 120.0° |
| C20 | C19 | C18 | H13 | 120.7° | 120.0° |
| C19 | C20 | C21 | H14 | 121.0° | 120.0° |
| C19 | C20 | C21 | H15 | 120.9° | 120.0° |
| C19 | C20 | C21 | C22 | 161.8° | 180.0° |
| C20 | C19 | C18 | H10 | 6.8° | 60.0° |
| C20 | C19 | C18 | H11 | 112.0° | 60.0° |
| C20 | C19 | H12 | H13 | 117.9° | 120.0° |
| C19 | C20 | H14 | H15 | 117.0° | 120.0° |
| C19 | C20 | C21 | H16 | 41.5° | 59.9° |
| C19 | C20 | C21 | H17 | 77.9° | 60.0° |
| C18 | C19 | C20 | C21 | 106.7° | 180.0° |
| C19 | C18 | H10 | H11 | 118.2° | 120.0° |
| C18 | C19 | H12 | H13 | 117.9° | 120.1° |
| C18 | C19 | C20 | H14 | 132.3° | 60.0° |
| C18 | C19 | C20 | H15 | 14.2° | 60.0° |
| C20 | C21 | C22 | H16 | 120.3° | 120.0° |
| C20 | C21 | C22 | H17 | 120.3° | 120.0° |
| C20 | C21 | C22 | N23 | 112.1° | 180.0° |
| C21 | C20 | C19 | H12 | 132.6° | 60.0° |
| C21 | C20 | C19 | H13 | 14.0° | 60.0° |
| C21 | C20 | H14 | H15 | 117.0° | 120.0° |
| C20 | C21 | H16 | H17 | 118.9° | 120.0° |
| C20 | C21 | C22 | H18 | 8.2° | 60.0° |
| C20 | C21 | C22 | H19 | 127.6° | 60.0° |
| C26 | C27 | C28 | H25 | 180.0° | 179.9° |
| C27 | C26 | C25 | H24 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 168.2° | 179.9° |
| C26 | C27 | C28 | C35 | 1.0° | 0.1° |
| C27 | C26 | C25 | C24 | 172.7° | 180.0° |
| C27 | C26 | C25 | C37 | 0.5° | 0.2° |
| C28 | C27 | C26 | C25 | 0.2° | 0.1° |
| C27 | C28 | C29 | C30 | 88.0° | 130.0° |
| C27 | C28 | C29 | C34 | 92.9° | 50.4° |
| C27 | C28 | C29 | C35 | 168.3° | 179.9° |
| C27 | C28 | C35 | C37 | 1.2° | 0.2° |
| C27 | C28 | C35 | CL36 | 174.8° | 180.0° |
| C28 | C27 | C26 | H24 | 179.8° | 179.9° |
| C26 | C25 | C24 | N23 | 55.2° | 89.7° |
| C26 | C25 | C24 | C37 | 173.1° | 179.8° |
| C26 | C25 | C37 | C35 | 0.3° | 0.5° |
| C26 | C25 | C24 | H22 | 175.4° | 150.2° |
| C26 | C25 | C24 | H23 | 64.9° | 30.2° |
| C25 | C26 | C27 | H25 | 179.8° | 180.0° |
| C26 | C25 | C37 | H31 | 179.7° | 179.8° |
| C31 | C32 | C33 | H28 | 180.0° | 180.0° |
| C32 | C31 | C30 | H27 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.3° |
| C32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C32 | C31 | C30 | H26 | 179.9° | 180.0° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.0° | 0.0° |
| C32 | C33 | C34 | H29 | 180.0° | 179.7° |
| C32 | C33 | C34 | C29 | 0.1° | 0.6° |
| C33 | C32 | C31 | H27 | 180.0° | 180.0° |
| C32 | C33 | C34 | H30 | 179.9° | 179.9° |
| C31 | C30 | C29 | H26 | 180.0° | 180.0° |
| C31 | C30 | C29 | C34 | 0.2° | 0.3° |
| C31 | C30 | C29 | C28 | 178.9° | 179.9° |
| C30 | C31 | C32 | H28 | 180.0° | 179.9° |
| C21 | C22 | N23 | H18 | 120.3° | 120.0° |
| C21 | C22 | N23 | H19 | 120.2° | 120.0° |
| C21 | C22 | N23 | C24 | 99.8° | 180.0° |
| C22 | C21 | C20 | H14 | 77.3° | 60.0° |
| C22 | C21 | C20 | H15 | 40.8° | 60.0° |
| C22 | C21 | H16 | H17 | 118.9° | 120.0° |
| C21 | C22 | H18 | H19 | 119.2° | 120.0° |
| C21 | C22 | N23 | H20 | 20.6° | 56.1° |
| C33 | C34 | C29 | C30 | 0.2° | 0.6° |
| C33 | C34 | C29 | H30 | 180.0° | 179.5° |
| C33 | C34 | C29 | C28 | 178.9° | 179.7° |
| C34 | C33 | C32 | H28 | 180.0° | 179.8° |
| C30 | C29 | C34 | C28 | 179.1° | 179.7° |
| C30 | C29 | C28 | C35 | 103.7° | 49.9° |
| C29 | C30 | C31 | H27 | 179.9° | 180.0° |
| C30 | C29 | C34 | H30 | 179.8° | 179.9° |
| C34 | C29 | C28 | C35 | 75.4° | 129.8° |
| C34 | C29 | C30 | H26 | 179.8° | 179.7° |
| C29 | C34 | C33 | H29 | 179.9° | 179.7° |
| C29 | C28 | C35 | C37 | 167.0° | 179.7° |
| C29 | C28 | C35 | CL36 | 17.0° | 0.1° |
| C29 | C28 | C27 | H25 | 11.8° | 0.1° |
| C28 | C29 | C30 | H26 | 1.1° | 0.0° |
| C28 | C29 | C34 | H30 | 1.1° | 0.3° |
| C22 | N23 | C24 | H20 | 120.4° | 124.0° |
| C22 | N23 | C24 | C25 | 158.4° | 180.0° |
| N23 | C22 | C21 | H16 | 127.6° | 60.0° |
| N23 | C22 | C21 | H17 | 8.2° | 60.0° |
| N23 | C22 | H18 | H19 | 119.2° | 120.0° |
| C22 | N23 | C24 | H22 | 38.3° | 60.0° |
| C22 | N23 | C24 | H23 | 81.4° | 60.0° |
| N23 | C24 | C25 | H22 | 120.1° | 120.0° |
| N23 | C24 | C25 | H23 | 120.2° | 120.0° |
| N23 | C24 | C25 | C37 | 131.7° | 90.1° |
| C24 | N23 | C22 | H18 | 139.9° | 60.0° |
| C24 | N23 | C22 | H19 | 20.5° | 60.0° |
| N23 | C24 | H22 | H23 | 119.5° | 120.0° |
| C28 | C35 | C37 | C25 | 0.6° | 0.5° |
| C28 | C35 | C37 | CL36 | 176.3° | 179.8° |
| C35 | C28 | C27 | H25 | 179.0° | 180.0° |
| C28 | C35 | C37 | H31 | 179.4° | 179.8° |
| C24 | C25 | C37 | C35 | 172.9° | 179.7° |
| C25 | C24 | N23 | H20 | 81.2° | 56.0° |
| C25 | C24 | H22 | H23 | 119.5° | 120.0° |
| C24 | C25 | C26 | H24 | 7.3° | 0.0° |
| C24 | C25 | C37 | H31 | 7.1° | 0.0° |
| C25 | C37 | C35 | H31 | 180.0° | 179.7° |
| C25 | C37 | C35 | CL36 | 175.7° | 179.7° |
| C37 | C25 | C24 | H22 | 11.6° | 30.0° |
| C37 | C25 | C24 | H23 | 108.1° | 150.0° |
| C37 | C25 | C26 | H24 | 179.5° | 179.8° |
| CL36 | C35 | C37 | H31 | 4.3° | 0.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.1° |
| H7 | C16 | H8 | H9 | 120.0° | 120.0° |
| H10 | C18 | C19 | H12 | 113.8° | 180.0° |
| H10 | C18 | C19 | H13 | 127.5° | 60.0° |
| H11 | C18 | C19 | H12 | 127.4° | 59.9° |
| H11 | C18 | C19 | H13 | 8.7° | 180.0° |
| H12 | C19 | C20 | H14 | 11.7° | 180.0° |
| H12 | C19 | C20 | H15 | 106.4° | 60.0° |
| H13 | C19 | C20 | H14 | 107.0° | 60.0° |
| H13 | C19 | C20 | H15 | 134.9° | 180.0° |
| H14 | C20 | C21 | H16 | 162.4° | 179.9° |
| H14 | C20 | C21 | H17 | 43.1° | 60.0° |
| H15 | C20 | C21 | H16 | 79.5° | 60.1° |
| H15 | C20 | C21 | H17 | 161.2° | 180.0° |
| H16 | C21 | C22 | H18 | 112.2° | 180.0° |
| H16 | C21 | C22 | H19 | 7.3° | 60.0° |
| H17 | C21 | C22 | H18 | 128.5° | 60.0° |
| H17 | C21 | C22 | H19 | 112.0° | 180.0° |
| H18 | C22 | N23 | H20 | 99.7° | 176.1° |
| H19 | C22 | N23 | H20 | 140.8° | 63.9° |
| H20 | N23 | C24 | H22 | 158.7° | 176.0° |
| H20 | N23 | C24 | H23 | 39.0° | 64.0° |
| H24 | C26 | C27 | H25 | 0.2° | 0.0° |
| H26 | C30 | C31 | H27 | 0.2° | 0.1° |
| H27 | C31 | C32 | H28 | 0.0° | 0.0° |
| H28 | C32 | C33 | H29 | 0.0° | 0.0° |
| H29 | C33 | C34 | H30 | 0.1° | 0.2° |
