A1H6E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL19 | C18 | sing | 1.74Å | 1.71Å | |
| C18 | S17 | sing | 1.71Å | 1.72Å | Aromatic |
| C18 | N20 | doub | 1.28Å | 1.29Å | Aromatic |
| S17 | C16 | sing | 1.76Å | 1.73Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.39Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | S13 | sing | 1.76Å | 1.76Å | |
| O24 | S13 | doub | 1.42Å | 1.43Å | |
| C26 | N12 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| S13 | N12 | sing | 1.66Å | 1.63Å | |
| S13 | O25 | doub | 1.42Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.54Å | 1.53Å | |
| N12 | C11 | sing | 1.47Å | 1.47Å | |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C9 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.51Å | |
| N6 | C5 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C28 | sing | 1.53Å | 1.54Å | |
| C7 | C28 | sing | 1.54Å | 1.51Å | |
| C32 | C31 | sing | 1.48Å | 1.49Å | |
| C32 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.73Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| N6 | H18 | sing | 1.01Å | 1.00Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL19 | C18 | S17 | 119.6° | 124.2° |
| CL19 | C18 | N20 | 122.8° | 124.2° |
| S17 | C18 | N20 | 117.6° | 111.5° |
| C18 | S17 | C16 | 88.6° | 90.8° |
| C18 | N20 | C21 | 109.4° | 117.8° |
| S17 | C16 | C21 | 109.4° | 108.0° |
| S17 | C16 | C15 | 128.9° | 131.7° |
| N20 | C21 | C16 | 114.9° | 111.8° |
| N20 | C21 | C22 | 126.0° | 129.7° |
| C21 | C16 | C15 | 121.6° | 120.3° |
| C16 | C21 | C22 | 119.1° | 118.5° |
| C16 | C15 | C14 | 118.1° | 120.0° |
| C16 | C15 | H8 | 120.9° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.4° |
| C21 | C22 | H9 | 120.0° | 119.7° |
| C15 | C14 | C23 | 121.4° | 120.1° |
| C15 | C14 | S13 | 119.0° | 120.0° |
| C14 | C15 | H8 | 120.9° | 120.0° |
| C22 | C23 | C14 | 119.7° | 120.8° |
| C23 | C22 | H9 | 120.0° | 119.8° |
| C22 | C23 | H10 | 120.2° | 119.6° |
| C23 | C14 | S13 | 119.6° | 120.0° |
| C14 | C23 | H10 | 120.1° | 119.6° |
| C14 | S13 | O24 | 108.0° | 106.4° |
| C14 | S13 | N12 | 107.4° | 107.2° |
| C14 | S13 | O25 | 107.8° | 106.4° |
| O24 | S13 | N12 | 106.6° | 106.4° |
| O24 | S13 | O25 | 119.9° | 123.1° |
| N12 | C26 | C27 | 109.0° | 108.8° |
| C26 | N12 | S13 | 117.7° | 120.5° |
| C26 | N12 | C11 | 112.0° | 119.0° |
| N12 | C26 | H11 | 109.6° | 109.6° |
| N12 | C26 | H12 | 109.6° | 109.6° |
| C26 | C27 | C9 | 111.6° | 109.1° |
| C27 | C26 | H11 | 109.6° | 109.6° |
| C27 | C26 | H12 | 109.6° | 109.6° |
| C26 | C27 | H23 | 108.9° | 109.5° |
| C26 | C27 | H24 | 108.9° | 109.5° |
| N12 | S13 | O25 | 106.7° | 106.4° |
| S13 | N12 | C11 | 117.4° | 120.5° |
| C9 | C8 | C7 | 85.4° | 87.0° |
| C8 | C9 | C27 | 115.4° | 113.5° |
| C8 | C9 | C10 | 114.9° | 113.5° |
| C8 | C9 | C28 | 88.0° | 87.4° |
| C9 | C8 | H4 | 115.1° | 113.6° |
| C9 | C8 | H5 | 115.1° | 113.6° |
| C8 | C7 | N6 | 117.8° | 113.6° |
| C8 | C7 | C28 | 89.6° | 87.1° |
| C7 | C8 | H4 | 115.1° | 113.6° |
| C7 | C8 | H5 | 115.1° | 113.6° |
| C8 | C7 | H20 | 109.7° | 113.6° |
| N12 | C11 | C10 | 109.3° | 108.8° |
| N12 | C11 | H6 | 109.5° | 109.6° |
| N12 | C11 | H7 | 109.5° | 109.7° |
| C33 | C34 | C35 | 120.3° | 120.1° |
| C34 | C33 | C32 | 120.7° | 119.9° |
| C34 | C33 | H25 | 119.7° | 120.0° |
| C33 | C34 | H26 | 119.8° | 120.0° |
| C34 | C35 | C36 | 119.7° | 120.2° |
| C34 | C35 | H17 | 120.1° | 119.9° |
| C35 | C34 | H26 | 119.8° | 119.9° |
| C29 | C30 | C31 | 120.8° | 119.9° |
| C30 | C29 | C4 | 121.2° | 120.2° |
| C30 | C29 | H15 | 119.4° | 119.9° |
| C29 | C30 | H16 | 119.6° | 120.0° |
| C30 | C31 | C32 | 118.4° | 120.1° |
| C30 | C31 | C2 | 117.4° | 119.7° |
| C31 | C30 | H16 | 119.6° | 120.1° |
| C27 | C9 | C10 | 109.9° | 113.0° |
| C27 | C9 | C28 | 113.4° | 113.5° |
| C9 | C27 | H23 | 108.9° | 109.6° |
| C9 | C27 | H24 | 108.9° | 109.5° |
| C11 | C10 | C9 | 111.4° | 109.1° |
| C10 | C11 | H6 | 109.5° | 109.6° |
| C10 | C11 | H7 | 109.5° | 109.6° |
| C11 | C10 | H21 | 109.0° | 109.5° |
| C11 | C10 | H22 | 109.0° | 109.5° |
| C33 | C32 | C31 | 120.9° | 120.1° |
| C33 | C32 | C37 | 118.2° | 119.8° |
| C32 | C33 | H25 | 119.6° | 120.1° |
| C29 | C4 | C5 | 121.3° | 119.9° |
| C29 | C4 | C3 | 118.4° | 120.3° |
| C4 | C29 | H15 | 119.4° | 119.9° |
| C35 | C36 | C37 | 120.3° | 120.1° |
| C36 | C35 | H17 | 120.1° | 119.9° |
| C35 | C36 | H27 | 119.9° | 119.9° |
| C7 | N6 | C5 | 113.4° | 111.0° |
| N6 | C7 | C28 | 118.4° | 113.6° |
| C7 | N6 | H18 | 108.5° | 111.0° |
| N6 | C7 | H20 | 109.9° | 112.8° |
| N6 | C5 | C4 | 113.0° | 109.4° |
| N6 | C5 | H2 | 108.6° | 109.5° |
| N6 | C5 | H3 | 108.6° | 109.5° |
| C5 | N6 | H18 | 108.5° | 111.0° |
| C10 | C9 | C28 | 113.9° | 113.5° |
| C9 | C10 | H21 | 109.0° | 109.6° |
| C9 | C10 | H22 | 109.0° | 109.6° |
| C9 | C28 | C7 | 85.9° | 87.0° |
| C9 | C28 | H13 | 115.0° | 113.7° |
| C9 | C28 | H14 | 115.0° | 113.8° |
| C7 | C28 | H13 | 115.0° | 113.6° |
| C7 | C28 | H14 | 115.0° | 113.6° |
| C28 | C7 | H20 | 109.8° | 113.7° |
| C31 | C32 | C37 | 120.9° | 120.1° |
| C32 | C31 | C2 | 124.2° | 120.1° |
| C32 | C37 | C36 | 120.7° | 119.9° |
| C32 | C37 | H28 | 119.6° | 120.1° |
| C37 | C36 | H27 | 119.9° | 119.9° |
| C36 | C37 | H28 | 119.6° | 120.0° |
| C31 | C2 | C3 | 121.8° | 119.9° |
| C31 | C2 | CL1 | 120.4° | 120.1° |
| C5 | C4 | C3 | 120.3° | 119.8° |
| C4 | C5 | H2 | 108.6° | 109.5° |
| C4 | C5 | H3 | 108.6° | 109.5° |
| C4 | C3 | C2 | 120.4° | 120.1° |
| C4 | C3 | H1 | 119.8° | 120.0° |
| C3 | C2 | CL1 | 117.8° | 120.1° |
| C2 | C3 | H1 | 119.8° | 119.9° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 112.9° |
| H6 | C11 | H7 | 109.5° | 109.6° |
| H11 | C26 | H12 | 109.5° | 109.8° |
| H13 | C28 | H14 | 109.5° | 112.8° |
| H21 | C10 | H22 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL19 | C18 | S17 | N20 | 178.7° | 180.0° |
| CL19 | C18 | S17 | C16 | 178.7° | 180.0° |
| CL19 | C18 | N20 | C21 | 178.6° | 180.0° |
| S17 | C18 | N20 | C21 | 0.0° | 0.0° |
| C18 | S17 | C16 | C21 | 0.0° | 0.0° |
| C18 | S17 | C16 | C15 | 179.9° | 179.9° |
| N20 | C18 | S17 | C16 | 0.0° | 0.0° |
| C18 | N20 | C21 | C16 | 0.1° | 0.0° |
| C18 | N20 | C21 | C22 | 179.9° | 180.0° |
| S17 | C16 | C21 | N20 | 0.1° | 0.0° |
| S17 | C16 | C21 | C15 | 179.9° | 179.9° |
| S17 | C16 | C21 | C22 | 179.9° | 180.0° |
| S17 | C16 | C15 | C14 | 180.0° | 180.0° |
| S17 | C16 | C15 | H8 | 0.0° | 0.2° |
| N20 | C21 | C16 | C22 | 180.0° | 180.0° |
| N20 | C21 | C16 | C15 | 179.9° | 180.0° |
| N20 | C21 | C22 | C23 | 179.9° | 180.0° |
| N20 | C21 | C22 | H9 | 0.1° | 0.0° |
| C21 | C16 | C15 | C14 | 0.0° | 0.1° |
| C16 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C16 | C15 | H8 | 179.9° | 179.7° |
| C16 | C21 | C22 | H9 | 179.9° | 180.0° |
| C15 | C16 | C21 | C22 | 0.1° | 0.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.8° |
| C16 | C15 | C14 | C23 | 0.0° | 0.1° |
| C16 | C15 | C14 | S13 | 179.8° | 179.8° |
| C21 | C22 | C23 | H9 | 180.0° | 180.0° |
| C21 | C22 | C23 | C14 | 0.0° | 0.0° |
| C21 | C22 | C23 | H10 | 180.0° | 179.9° |
| C15 | C14 | C23 | C22 | 0.0° | 0.0° |
| C15 | C14 | C23 | S13 | 179.8° | 179.7° |
| C15 | C14 | S13 | O24 | 30.0° | 23.6° |
| C15 | C14 | S13 | N12 | 84.6° | 90.0° |
| C15 | C14 | S13 | O25 | 160.8° | 156.4° |
| C15 | C14 | C23 | H10 | 179.9° | 180.0° |
| C22 | C23 | C14 | H10 | 180.0° | 179.9° |
| C22 | C23 | C14 | S13 | 179.8° | 179.8° |
| C23 | C14 | S13 | O24 | 149.8° | 156.2° |
| C23 | C14 | S13 | N12 | 95.7° | 90.3° |
| C23 | C14 | S13 | O25 | 18.9° | 23.3° |
| C23 | C14 | C15 | H8 | 180.0° | 179.7° |
| C14 | C23 | C22 | H9 | 180.0° | 180.0° |
| C14 | S13 | O24 | N12 | 115.1° | 114.1° |
| C14 | S13 | O24 | O25 | 123.9° | 122.9° |
| C14 | S13 | N12 | C26 | 79.7° | 90.0° |
| C14 | S13 | N12 | O25 | 115.4° | 113.5° |
| C14 | S13 | N12 | C11 | 58.7° | 90.0° |
| S13 | C14 | C15 | H8 | 0.2° | 0.0° |
| S13 | C14 | C23 | H10 | 0.2° | 0.3° |
| O24 | S13 | N12 | C26 | 35.8° | 156.5° |
| O24 | S13 | N12 | O25 | 129.2° | 132.9° |
| O24 | S13 | N12 | C11 | 174.2° | 23.6° |
| N12 | C26 | C27 | H11 | 119.9° | 119.8° |
| N12 | C26 | C27 | H12 | 119.9° | 119.8° |
| C26 | N12 | S13 | C11 | 138.4° | 180.0° |
| C26 | N12 | S13 | O25 | 165.0° | 23.5° |
| N12 | C26 | C27 | C9 | 56.9° | 52.5° |
| C26 | N12 | C11 | C10 | 62.1° | 55.5° |
| C26 | N12 | C11 | H6 | 177.9° | 64.3° |
| C26 | N12 | C11 | H7 | 57.8° | 175.3° |
| N12 | C26 | H11 | H12 | 120.3° | 120.4° |
| N12 | C26 | C27 | H23 | 177.2° | 172.4° |
| N12 | C26 | C27 | H24 | 63.4° | 67.3° |
| C27 | C26 | N12 | S13 | 157.5° | 124.5° |
| C26 | C27 | C9 | C8 | 79.0° | 73.3° |
| C27 | C26 | N12 | C11 | 62.0° | 55.5° |
| C26 | C27 | C9 | H23 | 120.3° | 119.9° |
| C26 | C27 | C9 | H24 | 120.3° | 119.9° |
| C26 | C27 | C9 | C10 | 52.8° | 57.8° |
| C26 | C27 | C9 | C28 | 178.4° | 171.1° |
| C27 | C26 | H11 | H12 | 120.2° | 120.4° |
| C26 | C27 | H23 | H24 | 119.0° | 120.2° |
| S13 | N12 | C11 | C10 | 157.2° | 124.5° |
| S13 | N12 | C11 | H6 | 37.3° | 115.7° |
| S13 | N12 | C11 | H7 | 82.8° | 4.7° |
| S13 | N12 | C26 | H11 | 82.6° | 115.7° |
| S13 | N12 | C26 | H12 | 37.5° | 4.8° |
| O25 | S13 | N12 | C11 | 56.7° | 156.5° |
| C9 | C8 | C7 | H4 | 115.6° | 114.5° |
| C9 | C8 | C7 | H5 | 115.6° | 114.5° |
| C8 | C9 | C27 | C10 | 131.8° | 131.1° |
| C8 | C9 | C27 | C28 | 99.4° | 97.8° |
| C8 | C9 | C10 | C11 | 79.5° | 73.3° |
| C9 | C8 | C7 | N6 | 147.3° | 139.7° |
| C8 | C9 | C10 | C28 | 99.4° | 97.8° |
| C9 | C8 | C7 | C28 | 25.1° | 25.2° |
| C9 | C8 | H4 | H5 | 131.5° | 131.3° |
| C8 | C9 | C28 | H13 | 90.9° | 139.7° |
| C8 | C9 | C28 | H14 | 140.6° | 89.3° |
| C9 | C8 | C7 | H20 | 85.9° | 89.5° |
| C8 | C9 | C10 | H21 | 160.2° | 166.8° |
| C8 | C9 | C10 | H22 | 40.8° | 46.7° |
| C8 | C9 | C27 | H23 | 41.3° | 46.6° |
| C8 | C9 | C27 | H24 | 160.7° | 166.9° |
| C7 | C8 | C9 | C27 | 139.7° | 139.8° |
| C8 | C7 | N6 | C28 | 106.0° | 97.5° |
| C8 | C7 | N6 | H20 | 126.6° | 131.2° |
| C8 | C7 | N6 | C5 | 163.6° | 155.0° |
| C7 | C8 | C9 | C10 | 90.9° | 89.4° |
| C8 | C7 | C28 | H20 | 110.8° | 114.6° |
| C7 | C8 | H4 | H5 | 131.5° | 131.3° |
| C8 | C7 | C28 | H13 | 90.6° | 139.7° |
| C8 | C7 | C28 | H14 | 140.8° | 89.5° |
| C8 | C7 | N6 | H18 | 75.8° | 31.0° |
| N12 | C11 | C10 | H6 | 120.0° | 119.8° |
| N12 | C11 | C10 | H7 | 120.0° | 119.9° |
| N12 | C11 | C10 | C9 | 56.8° | 52.5° |
| N12 | C11 | H6 | H7 | 120.1° | 120.4° |
| C11 | N12 | C26 | H11 | 57.9° | 64.3° |
| C11 | N12 | C26 | H12 | 178.0° | 175.2° |
| N12 | C11 | C10 | H21 | 63.5° | 67.4° |
| N12 | C11 | C10 | H22 | 177.1° | 172.5° |
| C33 | C34 | C35 | H26 | 180.0° | 179.9° |
| C34 | C33 | C32 | H25 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.3° |
| C34 | C33 | C32 | C31 | 177.9° | 180.0° |
| C34 | C33 | C32 | C37 | 0.1° | 0.2° |
| C33 | C34 | C35 | H17 | 179.9° | 179.9° |
| C35 | C34 | C33 | C32 | 0.1° | 0.0° |
| C34 | C35 | C36 | H17 | 180.0° | 179.8° |
| C34 | C35 | C36 | C37 | 0.0° | 0.3° |
| C35 | C34 | C33 | H25 | 179.9° | 180.0° |
| C34 | C35 | C36 | H27 | 180.0° | 179.8° |
| C29 | C30 | C31 | H16 | 180.0° | 179.9° |
| C30 | C29 | C4 | H15 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 178.1° | 180.0° |
| C29 | C30 | C31 | C2 | 0.2° | 0.3° |
| C30 | C29 | C4 | C5 | 178.9° | 180.0° |
| C30 | C29 | C4 | C3 | 0.1° | 0.1° |
| C30 | C31 | C32 | C33 | 52.8° | 49.7° |
| C31 | C30 | C29 | C4 | 0.2° | 0.1° |
| C30 | C31 | C32 | C2 | 178.1° | 179.7° |
| C30 | C31 | C32 | C37 | 125.1° | 130.0° |
| C30 | C31 | C2 | C3 | 0.2° | 0.6° |
| C30 | C31 | C2 | CL1 | 178.7° | 180.0° |
| C31 | C30 | C29 | H15 | 179.8° | 180.0° |
| C27 | C9 | C10 | C11 | 52.6° | 57.8° |
| C27 | C9 | C10 | C28 | 128.5° | 131.1° |
| C27 | C9 | C28 | C7 | 141.7° | 139.8° |
| C27 | C9 | C8 | H4 | 104.7° | 25.3° |
| C27 | C9 | C8 | H5 | 24.1° | 105.7° |
| C9 | C27 | C26 | H11 | 63.0° | 67.2° |
| C9 | C27 | C26 | H12 | 176.8° | 172.3° |
| C27 | C9 | C28 | H13 | 26.0° | 105.7° |
| C27 | C9 | C28 | H14 | 102.6° | 25.3° |
| C27 | C9 | C10 | H21 | 67.7° | 62.1° |
| C27 | C9 | C10 | H22 | 172.9° | 177.7° |
| C9 | C27 | H23 | H24 | 119.0° | 120.2° |
| C11 | C10 | C9 | H21 | 120.3° | 119.9° |
| C11 | C10 | C9 | H22 | 120.3° | 119.9° |
| C11 | C10 | C9 | C28 | 178.9° | 171.1° |
| C10 | C11 | H6 | H7 | 120.1° | 120.3° |
| C11 | C10 | H21 | H22 | 119.1° | 120.1° |
| C33 | C32 | C31 | C37 | 178.0° | 179.7° |
| C33 | C32 | C37 | C36 | 0.1° | 0.2° |
| C33 | C32 | C31 | C2 | 129.0° | 130.6° |
| C32 | C33 | C34 | H26 | 179.9° | 180.0° |
| C33 | C32 | C37 | H28 | 179.9° | 179.7° |
| C29 | C4 | C5 | N6 | 21.9° | 90.0° |
| C29 | C4 | C5 | C3 | 179.1° | 179.9° |
| C29 | C4 | C3 | C2 | 0.1° | 0.3° |
| C29 | C4 | C3 | H1 | 179.9° | 179.9° |
| C29 | C4 | C5 | H2 | 98.6° | 29.9° |
| C29 | C4 | C5 | H3 | 142.4° | 150.0° |
| C4 | C29 | C30 | H16 | 179.8° | 180.0° |
| C35 | C36 | C37 | C32 | 0.1° | 0.1° |
| C35 | C36 | C37 | H27 | 180.0° | 179.9° |
| C36 | C35 | C34 | H26 | 179.9° | 179.8° |
| C35 | C36 | C37 | H28 | 179.9° | 180.0° |
| C7 | N6 | C5 | H18 | 120.6° | 123.9° |
| N6 | C7 | C28 | C9 | 146.9° | 139.7° |
| N6 | C7 | C28 | H20 | 127.4° | 130.8° |
| C7 | N6 | C5 | C4 | 160.1° | 180.0° |
| C7 | N6 | C5 | H2 | 79.4° | 60.0° |
| C7 | N6 | C5 | H3 | 39.6° | 60.0° |
| N6 | C7 | C8 | H4 | 97.1° | 25.2° |
| N6 | C7 | C8 | H5 | 31.7° | 105.8° |
| N6 | C7 | C28 | H13 | 31.2° | 105.7° |
| N6 | C7 | C28 | H14 | 97.4° | 25.0° |
| C5 | N6 | C7 | C28 | 57.6° | 107.5° |
| N6 | C5 | C4 | H2 | 120.5° | 120.0° |
| N6 | C5 | C4 | H3 | 120.5° | 120.0° |
| N6 | C5 | C4 | C3 | 159.0° | 90.0° |
| N6 | C5 | H2 | H3 | 118.4° | 120.0° |
| C5 | N6 | C7 | H20 | 69.8° | 23.8° |
| C10 | C9 | C28 | C7 | 91.6° | 89.3° |
| C10 | C9 | C8 | H4 | 24.7° | 156.1° |
| C10 | C9 | C8 | H5 | 153.5° | 25.2° |
| C9 | C10 | C11 | H6 | 176.7° | 67.2° |
| C9 | C10 | C11 | H7 | 63.2° | 172.4° |
| C10 | C9 | C28 | H13 | 152.7° | 25.2° |
| C10 | C9 | C28 | H14 | 24.1° | 156.1° |
| C9 | C10 | H21 | H22 | 119.1° | 120.2° |
| C10 | C9 | C27 | H23 | 173.1° | 177.7° |
| C10 | C9 | C27 | H24 | 67.5° | 62.1° |
| C9 | C28 | C7 | H13 | 115.7° | 114.5° |
| C9 | C28 | C7 | H14 | 115.7° | 114.7° |
| C28 | C9 | C8 | H4 | 140.2° | 89.3° |
| C28 | C9 | C8 | H5 | 91.0° | 139.8° |
| C9 | C28 | H13 | H14 | 131.3° | 131.4° |
| C9 | C28 | C7 | H20 | 85.7° | 89.4° |
| C28 | C9 | C10 | H21 | 60.8° | 69.0° |
| C28 | C9 | C10 | H22 | 58.6° | 51.2° |
| C28 | C9 | C27 | H23 | 58.1° | 51.2° |
| C28 | C9 | C27 | H24 | 61.3° | 69.1° |
| C28 | C7 | C8 | H4 | 140.7° | 89.4° |
| C28 | C7 | C8 | H5 | 90.5° | 139.7° |
| C7 | C28 | H13 | H14 | 131.3° | 131.2° |
| C28 | C7 | N6 | H18 | 178.2° | 128.6° |
| C31 | C32 | C37 | C36 | 177.9° | 180.0° |
| C32 | C31 | C2 | C3 | 178.0° | 179.7° |
| C32 | C31 | C2 | CL1 | 3.1° | 0.3° |
| C32 | C31 | C30 | H16 | 1.9° | 0.1° |
| C31 | C32 | C33 | H25 | 2.1° | 0.0° |
| C31 | C32 | C37 | H28 | 2.1° | 0.1° |
| C32 | C37 | C36 | H28 | 180.0° | 179.9° |
| C37 | C32 | C31 | C2 | 53.0° | 49.7° |
| C37 | C32 | C33 | H25 | 179.9° | 179.8° |
| C32 | C37 | C36 | H27 | 179.9° | 180.0° |
| C37 | C36 | C35 | H17 | 180.0° | 179.9° |
| C31 | C2 | C3 | C4 | 0.2° | 0.6° |
| C31 | C2 | C3 | CL1 | 178.9° | 179.4° |
| C31 | C2 | C3 | H1 | 179.9° | 179.7° |
| C2 | C31 | C30 | H16 | 179.8° | 179.7° |
| C5 | C4 | C3 | C2 | 178.9° | 179.7° |
| C5 | C4 | C3 | H1 | 1.0° | 0.0° |
| C4 | C5 | H2 | H3 | 118.4° | 120.0° |
| C5 | C4 | C29 | H15 | 1.1° | 0.1° |
| C4 | C5 | N6 | H18 | 39.5° | 56.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | CL1 | 178.8° | 180.0° |
| C3 | C4 | C5 | H2 | 80.4° | 150.0° |
| C3 | C4 | C5 | H3 | 38.5° | 30.0° |
| C3 | C4 | C29 | H15 | 179.8° | 180.0° |
| CL1 | C2 | C3 | H1 | 1.2° | 0.2° |
| H2 | C5 | N6 | H18 | 160.0° | 63.9° |
| H3 | C5 | N6 | H18 | 81.0° | 176.0° |
| H4 | C8 | C7 | H20 | 29.7° | 155.9° |
| H5 | C8 | C7 | H20 | 158.5° | 25.0° |
| H6 | C11 | C10 | H21 | 56.5° | 172.8° |
| H6 | C11 | C10 | H22 | 63.0° | 52.7° |
| H7 | C11 | C10 | H21 | 176.6° | 52.5° |
| H7 | C11 | C10 | H22 | 57.1° | 67.6° |
| H9 | C22 | C23 | H10 | 0.0° | 0.1° |
| H11 | C26 | C27 | H23 | 57.3° | 52.7° |
| H11 | C26 | C27 | H24 | 176.6° | 172.9° |
| H12 | C26 | C27 | H23 | 62.9° | 67.8° |
| H12 | C26 | C27 | H24 | 56.5° | 52.4° |
| H13 | C28 | C7 | H20 | 158.5° | 25.1° |
| H14 | C28 | C7 | H20 | 30.0° | 155.9° |
| H15 | C29 | C30 | H16 | 0.2° | 0.1° |
| H17 | C35 | C34 | H26 | 0.1° | 0.0° |
| H17 | C35 | C36 | H27 | 0.0° | 0.0° |
| H18 | N6 | C7 | H20 | 50.8° | 100.1° |
| H25 | C33 | C34 | H26 | 0.1° | 0.1° |
| H27 | C36 | C37 | H28 | 0.1° | 0.1° |
