A1H6H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C20 | doub | 1.22Å | 1.22Å | |
| C20 | N18 | sing | 1.35Å | 1.38Å | |
| C20 | N21 | sing | 1.35Å | 1.37Å | |
| C19 | N18 | sing | 1.47Å | 1.46Å | |
| C22 | N21 | sing | 1.46Å | 1.46Å | |
| N18 | C17 | sing | 1.39Å | 1.39Å | |
| N21 | C24 | sing | 1.39Å | 1.40Å | |
| C17 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | S13 | sing | 1.76Å | 1.76Å | |
| O27 | S13 | doub | 1.42Å | 1.43Å | |
| C28 | N12 | sing | 1.47Å | 1.48Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| S13 | N12 | sing | 1.66Å | 1.64Å | |
| S13 | O26 | doub | 1.42Å | 1.43Å | |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | C11 | sing | 1.47Å | 1.48Å | |
| C29 | C9 | sing | 1.53Å | 1.54Å | |
| C30 | C7 | sing | 1.54Å | 1.55Å | |
| C30 | C9 | sing | 1.53Å | 1.54Å | |
| C39 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | N6 | sing | 1.47Å | 1.51Å | |
| C7 | C8 | sing | 1.54Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| N6 | C5 | sing | 1.47Å | 1.50Å | |
| C34 | C33 | sing | 1.48Å | 1.49Å | |
| C34 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 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 | 1.74Å | |
| C36 | H1 | sing | 1.08Å | 1.08Å | |
| C35 | H2 | sing | 1.08Å | 1.08Å | |
| C38 | H3 | sing | 1.08Å | 1.08Å | |
| C32 | H4 | sing | 1.08Å | 1.08Å | |
| C31 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| N6 | H14 | sing | 1.01Å | 1.00Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C20 | N18 | 127.5° | 125.2° |
| O23 | C20 | N21 | 126.6° | 125.2° |
| N18 | C20 | N21 | 106.0° | 109.7° |
| C20 | N18 | C19 | 124.3° | 125.8° |
| C20 | N18 | C17 | 110.2° | 108.4° |
| C20 | N21 | C22 | 123.8° | 125.8° |
| C20 | N21 | C24 | 110.1° | 108.4° |
| C19 | N18 | C17 | 125.5° | 125.8° |
| N18 | C19 | H21 | 109.5° | 109.5° |
| N18 | C19 | H22 | 109.5° | 109.5° |
| N18 | C19 | H23 | 109.5° | 109.5° |
| C22 | N21 | C24 | 126.1° | 125.8° |
| N21 | C22 | H24 | 109.5° | 109.5° |
| N21 | C22 | H25 | 109.5° | 109.5° |
| N21 | C22 | H26 | 109.4° | 109.5° |
| N18 | C17 | C24 | 106.7° | 106.8° |
| N18 | C17 | C16 | 132.1° | 133.4° |
| N21 | C24 | C17 | 107.0° | 106.8° |
| N21 | C24 | C25 | 131.9° | 133.4° |
| C24 | C17 | C16 | 121.0° | 119.9° |
| C17 | C24 | C25 | 121.0° | 119.8° |
| C17 | C16 | C15 | 118.5° | 119.9° |
| C17 | C16 | H8 | 120.8° | 120.1° |
| C24 | C25 | C14 | 118.1° | 119.9° |
| C24 | C25 | H6 | 121.0° | 120.0° |
| C25 | C14 | C15 | 121.8° | 120.3° |
| C25 | C14 | S13 | 118.6° | 119.9° |
| C14 | C25 | H6 | 121.0° | 120.1° |
| C16 | C15 | C14 | 119.7° | 120.2° |
| C16 | C15 | H7 | 120.1° | 119.9° |
| C15 | C16 | H8 | 120.7° | 120.1° |
| C15 | C14 | S13 | 119.6° | 119.8° |
| C14 | C15 | H7 | 120.1° | 119.9° |
| C14 | S13 | O27 | 108.6° | 106.4° |
| C14 | S13 | N12 | 107.4° | 107.2° |
| C14 | S13 | O26 | 106.6° | 106.4° |
| O27 | S13 | N12 | 106.9° | 106.4° |
| O27 | S13 | O26 | 120.2° | 123.1° |
| N12 | C28 | C29 | 108.3° | 108.8° |
| C28 | N12 | S13 | 118.1° | 120.5° |
| C28 | N12 | C11 | 111.8° | 119.0° |
| N12 | C28 | H27 | 109.8° | 109.6° |
| N12 | C28 | H28 | 109.8° | 109.6° |
| C28 | C29 | C9 | 110.7° | 109.2° |
| C29 | C28 | H27 | 109.7° | 109.6° |
| C29 | C28 | H28 | 109.7° | 109.6° |
| C28 | C29 | H29 | 109.1° | 109.5° |
| C28 | C29 | H30 | 109.1° | 109.5° |
| N12 | S13 | O26 | 106.5° | 106.4° |
| S13 | N12 | C11 | 117.8° | 120.5° |
| C39 | C38 | C37 | 120.3° | 120.1° |
| C38 | C39 | C34 | 120.9° | 119.9° |
| C39 | C38 | H3 | 119.9° | 120.0° |
| C38 | C39 | H34 | 119.5° | 120.1° |
| C38 | C37 | C36 | 119.7° | 120.2° |
| C37 | C38 | H3 | 119.9° | 119.9° |
| C38 | C37 | H33 | 120.1° | 119.9° |
| N12 | C11 | C10 | 109.2° | 108.8° |
| N12 | C11 | H9 | 109.5° | 109.6° |
| N12 | C11 | H10 | 109.6° | 109.7° |
| C29 | C9 | C30 | 115.4° | 113.5° |
| C29 | C9 | C10 | 109.0° | 113.0° |
| C29 | C9 | C8 | 113.6° | 113.5° |
| C9 | C29 | H29 | 109.2° | 109.5° |
| C9 | C29 | H30 | 109.1° | 109.5° |
| C7 | C30 | C9 | 88.0° | 87.0° |
| C30 | C7 | N6 | 114.3° | 113.6° |
| C30 | C7 | C8 | 88.8° | 87.1° |
| C30 | C7 | H16 | 111.7° | 113.7° |
| C7 | C30 | H31 | 114.5° | 113.6° |
| C7 | C30 | H32 | 114.5° | 113.6° |
| C30 | C9 | C10 | 113.9° | 113.5° |
| C30 | C9 | C8 | 87.8° | 87.5° |
| C9 | C30 | H31 | 114.6° | 113.6° |
| C9 | C30 | H32 | 114.5° | 113.6° |
| C39 | C34 | C33 | 120.2° | 120.2° |
| C39 | C34 | C35 | 117.9° | 119.8° |
| C34 | C39 | H34 | 119.6° | 120.0° |
| C31 | C32 | C33 | 121.1° | 119.8° |
| C32 | C31 | C4 | 121.4° | 120.2° |
| C31 | C32 | H4 | 119.4° | 120.0° |
| C32 | C31 | H5 | 119.3° | 119.9° |
| C32 | C33 | C34 | 117.0° | 120.1° |
| C32 | C33 | C2 | 117.1° | 119.8° |
| C33 | C32 | H4 | 119.5° | 120.1° |
| C37 | C36 | C35 | 120.4° | 120.1° |
| C37 | C36 | H1 | 119.8° | 119.9° |
| C36 | C37 | H33 | 120.1° | 119.9° |
| C31 | C4 | C5 | 120.6° | 119.9° |
| C31 | C4 | C3 | 118.5° | 120.2° |
| C4 | C31 | H5 | 119.3° | 119.9° |
| N6 | C7 | C8 | 115.1° | 113.6° |
| C7 | N6 | C5 | 111.3° | 111.0° |
| C7 | N6 | H14 | 109.0° | 111.0° |
| N6 | C7 | H16 | 112.4° | 112.8° |
| C7 | C8 | C9 | 89.8° | 87.0° |
| C8 | C7 | H16 | 112.5° | 113.6° |
| C7 | C8 | H17 | 114.2° | 113.6° |
| C7 | C8 | H18 | 114.2° | 113.6° |
| C11 | C10 | C9 | 111.0° | 109.1° |
| C10 | C11 | H9 | 109.5° | 109.6° |
| C10 | C11 | H10 | 109.5° | 109.6° |
| C11 | C10 | H19 | 109.1° | 109.5° |
| C11 | C10 | H20 | 109.1° | 109.5° |
| C10 | C9 | C8 | 116.1° | 113.5° |
| C9 | C10 | H19 | 109.1° | 109.5° |
| C9 | C10 | H20 | 109.1° | 109.6° |
| C9 | C8 | H17 | 114.1° | 113.6° |
| C9 | C8 | H18 | 114.1° | 113.8° |
| N6 | C5 | C4 | 112.5° | 109.5° |
| N6 | C5 | H11 | 108.7° | 109.5° |
| N6 | C5 | H12 | 108.7° | 109.5° |
| C5 | N6 | H14 | 109.0° | 111.0° |
| C33 | C34 | C35 | 121.5° | 120.1° |
| C34 | C33 | C2 | 125.8° | 120.1° |
| C34 | C35 | C36 | 120.8° | 119.9° |
| C34 | C35 | H2 | 119.6° | 120.1° |
| C33 | C2 | C3 | 121.4° | 119.8° |
| C33 | C2 | CL1 | 122.3° | 120.1° |
| C35 | C36 | H1 | 119.8° | 120.0° |
| C36 | C35 | H2 | 119.6° | 120.0° |
| C5 | C4 | C3 | 120.6° | 119.9° |
| C4 | C5 | H11 | 108.7° | 109.5° |
| C4 | C5 | H12 | 108.7° | 109.5° |
| C4 | C3 | C2 | 120.5° | 120.2° |
| C4 | C3 | H13 | 119.8° | 120.0° |
| C3 | C2 | CL1 | 116.0° | 120.1° |
| C2 | C3 | H13 | 119.8° | 119.9° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H17 | C8 | H18 | 109.5° | 112.8° |
| H19 | C10 | H20 | 109.5° | 109.7° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H21 | C19 | H23 | 109.4° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.4° | 109.5° |
| H24 | C22 | H26 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.4° |
| H27 | C28 | H28 | 109.5° | 109.7° |
| H29 | C29 | H30 | 109.5° | 109.6° |
| H31 | C30 | H32 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C20 | N18 | N21 | 179.4° | 179.7° |
| O23 | C20 | N18 | C19 | 0.2° | 0.0° |
| O23 | C20 | N21 | C22 | 0.3° | 0.3° |
| O23 | C20 | N18 | C17 | 179.4° | 179.9° |
| O23 | C20 | N21 | C24 | 179.5° | 179.9° |
| C20 | N18 | C19 | C17 | 179.5° | 180.0° |
| N18 | C20 | N21 | C22 | 179.1° | 180.0° |
| N18 | C20 | N21 | C24 | 0.0° | 0.4° |
| C20 | N18 | C17 | C24 | 0.0° | 0.0° |
| C20 | N18 | C17 | C16 | 175.4° | 180.0° |
| C20 | N18 | C19 | H21 | 180.0° | 90.0° |
| C20 | N18 | C19 | H22 | 60.0° | 29.9° |
| C20 | N18 | C19 | H23 | 60.0° | 150.0° |
| N21 | C20 | N18 | C19 | 179.6° | 179.8° |
| C20 | N21 | C22 | C24 | 179.0° | 179.5° |
| N21 | C20 | N18 | C17 | 0.0° | 0.2° |
| C20 | N21 | C24 | C17 | 0.1° | 0.4° |
| C20 | N21 | C24 | C25 | 175.7° | 179.9° |
| C20 | N21 | C22 | H24 | 180.0° | 0.0° |
| C20 | N21 | C22 | H25 | 60.0° | 120.0° |
| C20 | N21 | C22 | H26 | 60.0° | 120.0° |
| C19 | N18 | C17 | C24 | 179.6° | 180.0° |
| C19 | N18 | C17 | C16 | 4.2° | 0.0° |
| N18 | C19 | H21 | H22 | 120.0° | 120.0° |
| N18 | C19 | H21 | H23 | 120.0° | 120.0° |
| N18 | C19 | H22 | H23 | 120.0° | 120.1° |
| C22 | N21 | C24 | C17 | 179.1° | 180.0° |
| C22 | N21 | C24 | C25 | 3.4° | 0.3° |
| N21 | C22 | H24 | H25 | 120.0° | 120.0° |
| N21 | C22 | H24 | H26 | 120.0° | 120.1° |
| N21 | C22 | H25 | H26 | 120.0° | 120.0° |
| N18 | C17 | C24 | N21 | 0.1° | 0.3° |
| N18 | C17 | C24 | C16 | 176.1° | 180.0° |
| N18 | C17 | C24 | C25 | 176.3° | 180.0° |
| N18 | C17 | C16 | C15 | 174.8° | 180.0° |
| N18 | C17 | C16 | H8 | 5.2° | 0.1° |
| C17 | N18 | C19 | H21 | 0.5° | 90.0° |
| C17 | N18 | C19 | H22 | 119.5° | 150.1° |
| C17 | N18 | C19 | H23 | 120.5° | 30.0° |
| N21 | C24 | C17 | C25 | 176.2° | 179.7° |
| N21 | C24 | C17 | C16 | 176.0° | 179.7° |
| N21 | C24 | C25 | C14 | 174.8° | 179.7° |
| N21 | C24 | C25 | H6 | 5.2° | 0.3° |
| C24 | N21 | C22 | H24 | 1.0° | 179.6° |
| C24 | N21 | C22 | H25 | 121.0° | 60.5° |
| C24 | N21 | C22 | H26 | 119.0° | 59.5° |
| C17 | C24 | C25 | C14 | 0.3° | 0.0° |
| C24 | C17 | C16 | C15 | 0.1° | 0.0° |
| C17 | C24 | C25 | H6 | 179.7° | 180.0° |
| C24 | C17 | C16 | H8 | 179.9° | 179.9° |
| C16 | C17 | C24 | C25 | 0.2° | 0.0° |
| C17 | C16 | C15 | H8 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.3° | 0.1° |
| C17 | C16 | C15 | H7 | 179.7° | 180.0° |
| C24 | C25 | C14 | H6 | 180.0° | 180.0° |
| C24 | C25 | C14 | C15 | 0.1° | 0.0° |
| C24 | C25 | C14 | S13 | 177.8° | 180.0° |
| C25 | C14 | C15 | C16 | 0.2° | 0.0° |
| C25 | C14 | C15 | S13 | 177.7° | 180.0° |
| C25 | C14 | S13 | O27 | 20.5° | 23.6° |
| C25 | C14 | S13 | N12 | 94.8° | 90.0° |
| C25 | C14 | S13 | O26 | 151.4° | 156.5° |
| C25 | C14 | C15 | H7 | 179.8° | 180.0° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | S13 | 177.5° | 179.9° |
| C15 | C14 | S13 | O27 | 161.8° | 156.4° |
| C15 | C14 | S13 | N12 | 82.9° | 90.0° |
| C15 | C14 | S13 | O26 | 30.9° | 23.5° |
| C15 | C14 | C25 | H6 | 179.9° | 180.0° |
| C14 | C15 | C16 | H8 | 179.7° | 179.9° |
| C14 | S13 | O27 | N12 | 115.6° | 114.1° |
| C14 | S13 | O27 | O26 | 123.0° | 122.9° |
| C14 | S13 | N12 | C28 | 56.9° | 89.9° |
| C14 | S13 | N12 | O26 | 113.9° | 113.6° |
| C14 | S13 | N12 | C11 | 82.6° | 90.0° |
| S13 | C14 | C25 | H6 | 2.2° | 0.0° |
| S13 | C14 | C15 | H7 | 2.5° | 0.0° |
| O27 | S13 | N12 | C28 | 59.6° | 23.6° |
| O27 | S13 | N12 | O26 | 129.7° | 132.9° |
| O27 | S13 | N12 | C11 | 161.0° | 156.5° |
| N12 | C28 | C29 | H27 | 119.8° | 119.7° |
| N12 | C28 | C29 | H28 | 119.8° | 119.8° |
| C28 | N12 | S13 | C11 | 139.4° | 179.9° |
| C28 | N12 | S13 | O26 | 170.7° | 156.5° |
| N12 | C28 | C29 | C9 | 59.5° | 52.5° |
| C28 | N12 | C11 | C10 | 61.6° | 55.5° |
| C28 | N12 | C11 | H9 | 178.4° | 64.3° |
| C28 | N12 | C11 | H10 | 58.4° | 175.4° |
| N12 | C28 | H27 | H28 | 120.6° | 120.3° |
| N12 | C28 | C29 | H29 | 179.7° | 67.4° |
| N12 | C28 | C29 | H30 | 60.7° | 172.4° |
| C29 | C28 | N12 | S13 | 155.6° | 124.5° |
| C29 | C28 | N12 | C11 | 62.7° | 55.5° |
| C28 | C29 | C9 | H29 | 120.2° | 119.9° |
| C28 | C29 | C9 | H30 | 120.2° | 119.9° |
| C28 | C29 | C9 | C30 | 73.6° | 73.4° |
| C28 | C29 | C9 | C10 | 56.0° | 57.7° |
| C28 | C29 | C9 | C8 | 172.9° | 171.2° |
| C29 | C28 | H27 | H28 | 120.5° | 120.4° |
| C28 | C29 | H29 | H30 | 119.4° | 120.2° |
| S13 | N12 | C11 | C10 | 156.6° | 124.4° |
| S13 | N12 | C11 | H9 | 36.6° | 115.7° |
| S13 | N12 | C11 | H10 | 83.4° | 4.6° |
| S13 | N12 | C28 | H27 | 84.6° | 115.8° |
| S13 | N12 | C28 | H28 | 35.8° | 4.6° |
| O26 | S13 | N12 | C11 | 31.3° | 23.6° |
| C39 | C38 | C37 | H3 | 180.0° | 179.1° |
| C38 | C39 | C34 | H34 | 180.0° | 179.2° |
| C39 | C38 | C37 | C36 | 0.0° | 0.6° |
| C38 | C39 | C34 | C33 | 172.3° | 179.4° |
| C38 | C39 | C34 | C35 | 0.2° | 0.6° |
| C39 | C38 | C37 | H33 | 179.9° | 180.0° |
| C37 | C38 | C39 | C34 | 0.2° | 0.9° |
| C38 | C37 | C36 | H33 | 180.0° | 179.3° |
| C38 | C37 | C36 | C35 | 0.0° | 0.0° |
| C38 | C37 | C36 | H1 | 179.9° | 179.6° |
| C37 | C38 | C39 | H34 | 179.8° | 180.0° |
| N12 | C11 | C10 | H9 | 120.0° | 119.8° |
| N12 | C11 | C10 | H10 | 120.0° | 120.0° |
| N12 | C11 | C10 | C9 | 56.9° | 52.5° |
| N12 | C11 | H9 | H10 | 120.1° | 120.4° |
| N12 | C11 | C10 | H19 | 63.3° | 67.3° |
| N12 | C11 | C10 | H20 | 177.2° | 172.4° |
| C11 | N12 | C28 | H27 | 57.1° | 64.3° |
| C11 | N12 | C28 | H28 | 177.5° | 175.3° |
| C29 | C9 | C30 | C7 | 97.8° | 139.8° |
| C29 | C9 | C30 | C10 | 127.1° | 130.8° |
| C29 | C9 | C30 | C8 | 115.2° | 114.6° |
| C29 | C9 | C8 | C7 | 98.8° | 139.8° |
| C29 | C9 | C10 | C11 | 54.6° | 57.7° |
| C29 | C9 | C10 | C8 | 129.8° | 131.1° |
| C29 | C9 | C8 | H17 | 144.7° | 105.7° |
| C29 | C9 | C8 | H18 | 17.7° | 25.3° |
| C29 | C9 | C10 | H19 | 65.7° | 62.2° |
| C29 | C9 | C10 | H20 | 174.8° | 177.5° |
| C9 | C29 | C28 | H27 | 60.3° | 67.2° |
| C9 | C29 | C28 | H28 | 179.4° | 172.3° |
| C9 | C29 | H29 | H30 | 119.4° | 120.1° |
| C29 | C9 | C30 | H31 | 18.4° | 25.3° |
| C29 | C9 | C30 | H32 | 146.0° | 105.6° |
| C7 | C30 | C9 | H31 | 116.2° | 114.5° |
| C7 | C30 | C9 | H32 | 116.2° | 114.5° |
| C30 | C7 | N6 | C8 | 100.7° | 97.5° |
| C30 | C7 | N6 | H16 | 128.7° | 131.3° |
| C30 | C7 | C8 | H16 | 113.1° | 114.7° |
| C7 | C30 | C9 | C10 | 135.1° | 89.3° |
| C7 | C30 | C9 | C8 | 17.4° | 25.2° |
| C30 | C7 | N6 | C5 | 167.9° | 107.4° |
| C30 | C7 | N6 | H14 | 47.6° | 128.6° |
| C30 | C7 | C8 | H17 | 98.7° | 139.7° |
| C30 | C7 | C8 | H18 | 134.4° | 89.5° |
| C7 | C30 | H31 | H32 | 130.2° | 131.3° |
| C9 | C30 | C7 | N6 | 135.1° | 89.4° |
| C30 | C9 | C10 | C11 | 75.8° | 73.4° |
| C30 | C9 | C10 | C8 | 99.8° | 97.8° |
| C9 | C30 | C7 | H16 | 95.9° | 139.7° |
| C30 | C9 | C8 | H17 | 98.5° | 139.7° |
| C30 | C9 | C8 | H18 | 134.6° | 89.3° |
| C30 | C9 | C10 | H19 | 163.9° | 166.8° |
| C30 | C9 | C10 | H20 | 44.4° | 46.5° |
| C30 | C9 | C29 | H29 | 46.6° | 166.7° |
| C30 | C9 | C29 | H30 | 166.2° | 46.5° |
| C9 | C30 | H31 | H32 | 130.2° | 131.3° |
| C39 | C34 | C33 | C32 | 36.6° | 130.3° |
| C39 | C34 | C33 | C35 | 172.2° | 180.0° |
| C39 | C34 | C33 | C2 | 147.0° | 49.9° |
| C39 | C34 | C35 | C36 | 0.1° | 0.0° |
| C39 | C34 | C35 | H2 | 179.9° | 180.0° |
| C34 | C39 | C38 | H3 | 179.8° | 180.0° |
| C31 | C32 | C33 | H4 | 180.0° | 179.9° |
| C32 | C31 | C4 | H5 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 176.1° | 180.0° |
| C31 | C32 | C33 | C2 | 0.7° | 0.3° |
| C32 | C31 | C4 | C5 | 172.9° | 180.0° |
| C32 | C31 | C4 | C3 | 0.6° | 0.0° |
| C33 | C32 | C31 | C4 | 0.5° | 0.0° |
| C32 | C33 | C34 | C2 | 176.4° | 179.8° |
| C32 | C33 | C34 | C35 | 135.6° | 49.7° |
| C32 | C33 | C2 | C3 | 1.0° | 0.5° |
| C32 | C33 | C2 | CL1 | 172.6° | 179.7° |
| C33 | C32 | C31 | H5 | 179.5° | 180.0° |
| C37 | C36 | C35 | C34 | 0.0° | 0.3° |
| C37 | C36 | C35 | H1 | 180.0° | 179.7° |
| C37 | C36 | C35 | H2 | 180.0° | 179.8° |
| C36 | C37 | C38 | H3 | 180.0° | 179.7° |
| C31 | C4 | C5 | N6 | 56.1° | 90.0° |
| C31 | C4 | C5 | C3 | 173.3° | 180.0° |
| C31 | C4 | C3 | C2 | 0.9° | 0.2° |
| C4 | C31 | C32 | H4 | 179.5° | 180.0° |
| C31 | C4 | C5 | H11 | 64.4° | 150.0° |
| C31 | C4 | C5 | H12 | 176.6° | 30.0° |
| C31 | C4 | C3 | H13 | 179.2° | 180.0° |
| N6 | C7 | C8 | H16 | 130.5° | 130.7° |
| N6 | C7 | C8 | C9 | 134.3° | 89.4° |
| C7 | N6 | C5 | H14 | 120.3° | 124.0° |
| C7 | N6 | C5 | C4 | 147.1° | 180.0° |
| C7 | N6 | C5 | H11 | 26.7° | 60.0° |
| C7 | N6 | C5 | H12 | 92.4° | 60.0° |
| N6 | C7 | C8 | H17 | 17.8° | 25.1° |
| N6 | C7 | C8 | H18 | 109.2° | 155.9° |
| N6 | C7 | C30 | H31 | 108.7° | 156.1° |
| N6 | C7 | C30 | H32 | 18.9° | 25.1° |
| C7 | C8 | C9 | C10 | 133.7° | 89.4° |
| C7 | C8 | C9 | H17 | 116.5° | 114.5° |
| C7 | C8 | C9 | H18 | 116.5° | 114.5° |
| C8 | C7 | N6 | C5 | 67.1° | 155.0° |
| C8 | C7 | N6 | H14 | 53.2° | 31.0° |
| C7 | C8 | H17 | H18 | 129.4° | 131.2° |
| C8 | C7 | C30 | H31 | 134.1° | 89.4° |
| C8 | C7 | C30 | H32 | 98.3° | 139.7° |
| C11 | C10 | C9 | H19 | 120.2° | 119.8° |
| C11 | C10 | C9 | H20 | 120.2° | 119.9° |
| C11 | C10 | C9 | C8 | 175.6° | 171.2° |
| C10 | C11 | H9 | H10 | 120.1° | 120.2° |
| C11 | C10 | H19 | H20 | 119.3° | 120.2° |
| C9 | C10 | C11 | H9 | 176.9° | 67.3° |
| C9 | C10 | C11 | H10 | 63.1° | 172.5° |
| C10 | C9 | C8 | H17 | 17.1° | 25.1° |
| C10 | C9 | C8 | H18 | 109.8° | 156.1° |
| C9 | C10 | H19 | H20 | 119.3° | 120.2° |
| C10 | C9 | C29 | H29 | 176.2° | 62.2° |
| C10 | C9 | C29 | H30 | 64.2° | 177.6° |
| C10 | C9 | C30 | H31 | 108.8° | 156.1° |
| C10 | C9 | C30 | H32 | 18.9° | 25.2° |
| C9 | C8 | C7 | H16 | 95.2° | 139.9° |
| C9 | C8 | H17 | H18 | 129.3° | 131.4° |
| C8 | C9 | C10 | H19 | 64.1° | 68.9° |
| C8 | C9 | C10 | H20 | 55.4° | 51.4° |
| C8 | C9 | C29 | H29 | 52.7° | 68.9° |
| C8 | C9 | C29 | H30 | 66.9° | 51.3° |
| C8 | C9 | C30 | H31 | 133.6° | 89.3° |
| C8 | C9 | C30 | H32 | 98.8° | 139.8° |
| N6 | C5 | C4 | H11 | 120.5° | 120.0° |
| N6 | C5 | C4 | H12 | 120.5° | 120.0° |
| N6 | C5 | C4 | C3 | 130.6° | 90.0° |
| N6 | C5 | H11 | H12 | 118.6° | 120.0° |
| C5 | N6 | C7 | H16 | 63.4° | 23.9° |
| C33 | C34 | C35 | C36 | 172.3° | 180.0° |
| C34 | C33 | C2 | C3 | 175.5° | 179.8° |
| C34 | C33 | C2 | CL1 | 11.0° | 0.0° |
| C33 | C34 | C35 | H2 | 7.7° | 0.0° |
| C34 | C33 | C32 | H4 | 3.9° | 0.1° |
| C33 | C34 | C39 | H34 | 7.7° | 0.3° |
| C35 | C34 | C33 | C2 | 40.8° | 130.0° |
| C34 | C35 | C36 | H2 | 180.0° | 179.9° |
| C34 | C35 | C36 | H1 | 180.0° | 180.0° |
| C35 | C34 | C39 | H34 | 179.8° | 179.7° |
| C33 | C2 | C3 | C4 | 1.1° | 0.5° |
| C33 | C2 | C3 | CL1 | 173.9° | 179.8° |
| C2 | C33 | C32 | H4 | 179.3° | 179.8° |
| C33 | C2 | C3 | H13 | 178.9° | 179.8° |
| C35 | C36 | C37 | H33 | 180.0° | 179.4° |
| C5 | C4 | C3 | C2 | 172.6° | 179.8° |
| C5 | C4 | C31 | H5 | 7.1° | 0.0° |
| C4 | C5 | H11 | H12 | 118.6° | 120.0° |
| C5 | C4 | C3 | H13 | 7.4° | 0.0° |
| C4 | C5 | N6 | H14 | 92.6° | 56.0° |
| C4 | C3 | C2 | H13 | 180.0° | 179.8° |
| C4 | C3 | C2 | CL1 | 172.8° | 179.7° |
| C3 | C4 | C31 | H5 | 179.5° | 180.0° |
| C3 | C4 | C5 | H11 | 109.0° | 30.0° |
| C3 | C4 | C5 | H12 | 10.1° | 150.0° |
| CL1 | C2 | C3 | H13 | 7.2° | 0.0° |
| H1 | C36 | C35 | H2 | 0.0° | 0.1° |
| H1 | C36 | C37 | H33 | 0.0° | 0.3° |
| H3 | C38 | C37 | H33 | 0.1° | 1.0° |
| H3 | C38 | C39 | H34 | 0.2° | 0.9° |
| H4 | C32 | C31 | H5 | 0.5° | 0.0° |
| H7 | C15 | C16 | H8 | 0.3° | 0.1° |
| H9 | C11 | C10 | H19 | 56.6° | 172.9° |
| H9 | C11 | C10 | H20 | 62.9° | 52.6° |
| H10 | C11 | C10 | H19 | 176.7° | 52.7° |
| H10 | C11 | C10 | H20 | 57.2° | 67.6° |
| H11 | C5 | N6 | H14 | 147.0° | 64.0° |
| H12 | C5 | N6 | H14 | 27.9° | 176.0° |
| H14 | N6 | C7 | H16 | 176.3° | 100.1° |
| H16 | C7 | C8 | H17 | 148.3° | 105.6° |
| H16 | C7 | C8 | H18 | 21.3° | 25.2° |
| H16 | C7 | C30 | H31 | 20.3° | 25.2° |
| H16 | C7 | C30 | H32 | 147.9° | 105.7° |
| H21 | C19 | H22 | H23 | 120.0° | 120.0° |
| H24 | C22 | H25 | H26 | 120.0° | 120.0° |
| H27 | C28 | C29 | H29 | 59.9° | 172.9° |
| H27 | C28 | C29 | H30 | 179.5° | 52.7° |
| H28 | C28 | C29 | H29 | 60.4° | 52.4° |
| H28 | C28 | C29 | H30 | 59.2° | 67.8° |
