BWL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C14 | sing | 1.40Å | 1.33Å | |
| C14 | C11 | sing | 1.51Å | 1.50Å | |
| C14 | F18 | sing | 1.40Å | 1.32Å | |
| C14 | F17 | sing | 1.40Å | 1.33Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | N19 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| O28 | C27 | doub | 1.22Å | 1.23Å | |
| C27 | N19 | sing | 1.35Å | 1.36Å | |
| C27 | C29 | sing | 1.42Å | 1.47Å | |
| N19 | C20 | sing | 1.46Å | 1.45Å | |
| C29 | C30 | doub | 1.34Å | 1.35Å | |
| C37 | O38 | doub | 1.21Å | 1.21Å | |
| C37 | N36 | sing | 1.35Å | 1.44Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | N22 | sing | 1.47Å | 1.46Å | |
| C35 | N36 | sing | 1.47Å | 1.46Å | |
| C35 | C34 | sing | 1.55Å | 1.52Å | |
| N36 | C32 | sing | 1.47Å | 1.52Å | |
| C23 | N22 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C30 | C32 | sing | 1.51Å | 1.52Å | |
| C30 | O31 | sing | 1.35Å | 1.34Å | |
| N22 | C25 | sing | 1.47Å | 1.48Å | |
| C34 | C33 | sing | 1.55Å | 1.50Å | |
| C32 | C33 | sing | 1.54Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| O31 | H27 | sing | 0.97Å | 0.95Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | O1 | sing | 1.35Å | 1.67Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C14 | C11 | 111.3° | 109.5° |
| F15 | C14 | F18 | 106.8° | 109.5° |
| F15 | C14 | F17 | 112.4° | 109.5° |
| C11 | C14 | F18 | 109.8° | 109.5° |
| C11 | C14 | F17 | 107.2° | 109.5° |
| C14 | C11 | C10 | 119.7° | 119.9° |
| C14 | C11 | C12 | 119.5° | 119.8° |
| F18 | C14 | F17 | 109.3° | 109.4° |
| C7 | C6 | C5 | 120.9° | 119.8° |
| C6 | C7 | C2 | 118.9° | 120.2° |
| C7 | C6 | H5 | 119.5° | 120.1° |
| C6 | C7 | H6 | 120.5° | 119.9° |
| C6 | C5 | C8 | 119.6° | 120.1° |
| C6 | C5 | C4 | 120.7° | 119.8° |
| C5 | C6 | H5 | 119.5° | 120.1° |
| C11 | C10 | C9 | 119.5° | 120.1° |
| C10 | C11 | C12 | 120.8° | 120.3° |
| C11 | C10 | H8 | 120.3° | 120.0° |
| C10 | C9 | C8 | 119.8° | 119.8° |
| C10 | C9 | H7 | 120.1° | 120.1° |
| C9 | C10 | H8 | 120.2° | 119.9° |
| C11 | C12 | C13 | 119.8° | 120.1° |
| C11 | C12 | H9 | 120.1° | 120.0° |
| C7 | C2 | C1 | 120.6° | 119.9° |
| C7 | C2 | C3 | 119.2° | 120.2° |
| C2 | C7 | H6 | 120.5° | 120.0° |
| C9 | C8 | C13 | 120.6° | 119.8° |
| C9 | C8 | C5 | 119.4° | 120.1° |
| C8 | C9 | H7 | 120.1° | 120.1° |
| C12 | C13 | C8 | 119.5° | 119.9° |
| C13 | C12 | H9 | 120.1° | 119.9° |
| C12 | C13 | H10 | 120.3° | 120.0° |
| C13 | C8 | C5 | 119.9° | 120.1° |
| C8 | C13 | H10 | 120.2° | 120.1° |
| C8 | C5 | C4 | 119.7° | 120.1° |
| C5 | C4 | C3 | 118.4° | 119.8° |
| C5 | C4 | H4 | 120.8° | 120.0° |
| C1 | C2 | C3 | 120.2° | 119.9° |
| C2 | C1 | N19 | 109.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C3 | C4 | 121.8° | 120.2° |
| C2 | C3 | H3 | 119.1° | 119.9° |
| C1 | N19 | C27 | 117.4° | 120.0° |
| C1 | N19 | C20 | 114.1° | 120.0° |
| N19 | C1 | H1 | 109.5° | 109.5° |
| N19 | C1 | H2 | 109.5° | 109.4° |
| C4 | C3 | H3 | 119.1° | 119.9° |
| C3 | C4 | H4 | 120.8° | 120.1° |
| O28 | C27 | N19 | 125.1° | 120.0° |
| O28 | C27 | C29 | 112.9° | 120.0° |
| N19 | C27 | C29 | 121.9° | 120.0° |
| C27 | N19 | C20 | 128.4° | 120.0° |
| C27 | C29 | C30 | 123.3° | 119.9° |
| C27 | C29 | H26 | 118.4° | 120.0° |
| N19 | C20 | C21 | 109.9° | 109.5° |
| N19 | C20 | H11 | 109.4° | 109.4° |
| N19 | C20 | H12 | 109.4° | 109.5° |
| C29 | C30 | C32 | 117.5° | 120.0° |
| C29 | C30 | O31 | 123.8° | 120.0° |
| C30 | C29 | H26 | 118.4° | 120.1° |
| O38 | C37 | N36 | 127.8° | 120.0° |
| O38 | C37 | O1 | 112.6° | 120.0° |
| C37 | N36 | C35 | 124.1° | 125.6° |
| C37 | N36 | C32 | 127.7° | 125.7° |
| N36 | C37 | O1 | 117.3° | 120.0° |
| C20 | C21 | N22 | 112.5° | 109.5° |
| C21 | C20 | H11 | 109.4° | 109.5° |
| C21 | C20 | H12 | 109.4° | 109.5° |
| C20 | C21 | H13 | 108.7° | 109.5° |
| C20 | C21 | H14 | 108.7° | 109.5° |
| C21 | N22 | C23 | 104.7° | 111.0° |
| C21 | N22 | C25 | 109.6° | 111.0° |
| N22 | C21 | H13 | 108.7° | 109.4° |
| N22 | C21 | H14 | 108.7° | 109.4° |
| N36 | C35 | C34 | 109.4° | 104.8° |
| C35 | N36 | C32 | 108.2° | 108.7° |
| N36 | C35 | H33 | 109.5° | 110.3° |
| N36 | C35 | H34 | 109.5° | 110.4° |
| C35 | C34 | C33 | 106.5° | 101.6° |
| C35 | C34 | H31 | 110.2° | 111.0° |
| C35 | C34 | H32 | 110.2° | 111.0° |
| C34 | C35 | H33 | 109.5° | 110.4° |
| C34 | C35 | H34 | 109.5° | 110.4° |
| N36 | C32 | C30 | 121.3° | 109.9° |
| N36 | C32 | C33 | 105.6° | 107.3° |
| N36 | C32 | H28 | 108.4° | 110.0° |
| N22 | C23 | C24 | 112.4° | 109.4° |
| C23 | N22 | C25 | 113.3° | 110.9° |
| N22 | C23 | H16 | 108.7° | 109.5° |
| N22 | C23 | H17 | 108.7° | 109.5° |
| C24 | C23 | H16 | 108.7° | 109.5° |
| C24 | C23 | H17 | 108.7° | 109.5° |
| C23 | C24 | H18 | 109.5° | 109.5° |
| C23 | C24 | H19 | 109.5° | 109.5° |
| C23 | C24 | H20 | 109.5° | 109.5° |
| C32 | C30 | O31 | 118.2° | 120.0° |
| C30 | C32 | C33 | 104.7° | 109.9° |
| C30 | C32 | H28 | 108.3° | 109.9° |
| C30 | O31 | H27 | 109.5° | 117.0° |
| N22 | C25 | C26 | 110.9° | 109.5° |
| N22 | C25 | H21 | 109.1° | 109.5° |
| N22 | C25 | H22 | 109.1° | 109.4° |
| C34 | C33 | C32 | 108.2° | 102.9° |
| C34 | C33 | H29 | 109.8° | 110.7° |
| C34 | C33 | H30 | 109.8° | 110.9° |
| C33 | C34 | H31 | 110.2° | 111.0° |
| C33 | C34 | H32 | 110.2° | 111.0° |
| C33 | C32 | H28 | 108.0° | 109.9° |
| C32 | C33 | H29 | 109.8° | 110.7° |
| C32 | C33 | H30 | 109.8° | 110.7° |
| C26 | C25 | H21 | 109.1° | 109.5° |
| C26 | C25 | H22 | 109.1° | 109.4° |
| C25 | C26 | H23 | 109.5° | 109.4° |
| C25 | C26 | H24 | 109.5° | 109.5° |
| C25 | C26 | H25 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H11 | C20 | H12 | 109.4° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.4° | 109.5° |
| H18 | C24 | H19 | 109.4° | 109.5° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H23 | C26 | H24 | 109.4° | 109.5° |
| H23 | C26 | H25 | 109.4° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 110.6° |
| H31 | C34 | H32 | 109.5° | 110.8° |
| H33 | C35 | H34 | 109.5° | 110.4° |
| C37 | O1 | H15 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C14 | C11 | F18 | 118.0° | 120.0° |
| F15 | C14 | C11 | F17 | 123.3° | 120.0° |
| F15 | C14 | F18 | F17 | 121.9° | 120.0° |
| F15 | C14 | C11 | C10 | 94.3° | 149.9° |
| F15 | C14 | C11 | C12 | 86.6° | 30.0° |
| C11 | C14 | F18 | F17 | 117.4° | 120.0° |
| C14 | C11 | C10 | C12 | 179.1° | 179.9° |
| C14 | C11 | C10 | C9 | 179.6° | 180.0° |
| C14 | C11 | C12 | C13 | 180.0° | 180.0° |
| C14 | C11 | C10 | H8 | 0.4° | 0.1° |
| C14 | C11 | C12 | H9 | 0.0° | 0.0° |
| F18 | C14 | C11 | C10 | 23.7° | 90.0° |
| F18 | C14 | C11 | C12 | 155.4° | 90.1° |
| F17 | C14 | C11 | C10 | 142.4° | 29.9° |
| F17 | C14 | C11 | C12 | 36.8° | 150.0° |
| C7 | C6 | C5 | H5 | 180.0° | 179.4° |
| C6 | C7 | C2 | H6 | 180.0° | 179.4° |
| C7 | C6 | C5 | C8 | 178.4° | 179.7° |
| C7 | C6 | C5 | C4 | 1.0° | 0.3° |
| C6 | C7 | C2 | C1 | 179.6° | 179.7° |
| C6 | C7 | C2 | C3 | 0.9° | 0.6° |
| C5 | C6 | C7 | C2 | 0.9° | 0.6° |
| C6 | C5 | C8 | C9 | 20.7° | 179.7° |
| C6 | C5 | C8 | C13 | 156.4° | 0.1° |
| C6 | C5 | C8 | C4 | 177.4° | 180.0° |
| C6 | C5 | C4 | C3 | 1.2° | 0.0° |
| C6 | C5 | C4 | H4 | 178.8° | 180.0° |
| C5 | C6 | C7 | H6 | 179.1° | 180.0° |
| C11 | C10 | C9 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.7° | 0.1° |
| C10 | C11 | C12 | C13 | 0.9° | 0.1° |
| C11 | C10 | C9 | H7 | 179.3° | 180.0° |
| C10 | C11 | C12 | H9 | 179.1° | 179.9° |
| C9 | C10 | C11 | C12 | 0.5° | 0.1° |
| C10 | C9 | C8 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | C13 | 1.3° | 0.1° |
| C10 | C9 | C8 | C5 | 178.4° | 179.7° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 1.5° | 0.1° |
| C12 | C11 | C10 | H8 | 179.5° | 180.0° |
| C11 | C12 | C13 | H10 | 178.5° | 179.7° |
| C7 | C2 | C1 | C3 | 178.7° | 179.7° |
| C7 | C2 | C1 | N19 | 146.1° | 90.3° |
| C7 | C2 | C3 | C4 | 1.1° | 0.3° |
| C7 | C2 | C1 | H1 | 93.9° | 29.7° |
| C7 | C2 | C1 | H2 | 26.1° | 149.7° |
| C7 | C2 | C3 | H3 | 178.9° | 179.8° |
| C2 | C7 | C6 | H5 | 179.2° | 180.0° |
| C9 | C8 | C13 | C12 | 1.7° | 0.1° |
| C9 | C8 | C13 | C5 | 177.1° | 179.7° |
| C9 | C8 | C5 | C4 | 161.9° | 0.3° |
| C8 | C9 | C10 | H8 | 179.3° | 180.0° |
| C9 | C8 | C13 | H10 | 178.3° | 179.7° |
| C12 | C13 | C8 | H10 | 180.0° | 179.8° |
| C12 | C13 | C8 | C5 | 178.8° | 179.8° |
| C13 | C8 | C5 | C4 | 21.0° | 180.0° |
| C13 | C8 | C9 | H7 | 178.7° | 180.0° |
| C8 | C13 | C12 | H9 | 178.5° | 179.9° |
| C8 | C5 | C4 | C3 | 178.6° | 180.0° |
| C8 | C5 | C4 | H4 | 1.5° | 0.0° |
| C8 | C5 | C6 | H5 | 1.6° | 0.3° |
| C5 | C8 | C9 | H7 | 1.6° | 0.4° |
| C5 | C8 | C13 | H10 | 1.2° | 0.1° |
| C5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 178.8° | 180.0° |
| C4 | C5 | C6 | H5 | 179.0° | 179.7° |
| C2 | C1 | N19 | H1 | 120.0° | 120.0° |
| C2 | C1 | N19 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C1 | N19 | C27 | 94.0° | 90.0° |
| C2 | C1 | N19 | C20 | 89.4° | 90.0° |
| C2 | C1 | H1 | H2 | 120.1° | 120.1° |
| C1 | C2 | C3 | H3 | 0.2° | 0.1° |
| C1 | C2 | C7 | H6 | 0.4° | 0.3° |
| C3 | C2 | C1 | N19 | 32.6° | 90.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 87.3° | 150.0° |
| C3 | C2 | C1 | H2 | 152.6° | 30.0° |
| C2 | C3 | C4 | H4 | 178.8° | 180.0° |
| C3 | C2 | C7 | H6 | 179.1° | 180.0° |
| C1 | N19 | C27 | O28 | 48.9° | 0.1° |
| C1 | N19 | C27 | C20 | 176.1° | 180.0° |
| C1 | N19 | C27 | C29 | 135.2° | 180.0° |
| C1 | N19 | C20 | C21 | 31.1° | 90.0° |
| N19 | C1 | H1 | H2 | 120.1° | 119.9° |
| C1 | N19 | C20 | H11 | 151.2° | 150.0° |
| C1 | N19 | C20 | H12 | 89.0° | 30.0° |
| O28 | C27 | N19 | C29 | 175.9° | 179.9° |
| O28 | C27 | N19 | C20 | 135.0° | 180.0° |
| O28 | C27 | C29 | C30 | 118.5° | 0.1° |
| O28 | C27 | C29 | H26 | 61.5° | 180.0° |
| N19 | C27 | C29 | C30 | 57.9° | 180.0° |
| C27 | N19 | C20 | C21 | 152.7° | 90.0° |
| C27 | N19 | C1 | H1 | 26.0° | 149.9° |
| C27 | N19 | C1 | H2 | 146.0° | 30.0° |
| C27 | N19 | C20 | H11 | 32.6° | 30.1° |
| C27 | N19 | C20 | H12 | 87.2° | 150.0° |
| N19 | C27 | C29 | H26 | 122.1° | 0.1° |
| C29 | C27 | N19 | C20 | 40.9° | 0.1° |
| C27 | C29 | C30 | H26 | 180.0° | 179.9° |
| C27 | C29 | C30 | C32 | 174.2° | 180.0° |
| C27 | C29 | C30 | O31 | 14.1° | 0.0° |
| N19 | C20 | C21 | H11 | 120.1° | 120.0° |
| N19 | C20 | C21 | H12 | 120.1° | 120.0° |
| N19 | C20 | C21 | N22 | 118.8° | 180.0° |
| C20 | N19 | C1 | H1 | 150.7° | 30.0° |
| C20 | N19 | C1 | H2 | 30.6° | 150.0° |
| N19 | C20 | H11 | H12 | 119.8° | 120.0° |
| N19 | C20 | C21 | H13 | 120.7° | 60.0° |
| N19 | C20 | C21 | H14 | 1.6° | 60.0° |
| C29 | C30 | C32 | N36 | 3.3° | 127.2° |
| C29 | C30 | C32 | O31 | 172.2° | 180.0° |
| C29 | C30 | C32 | C33 | 115.6° | 115.0° |
| C29 | C30 | O31 | H27 | 180.0° | 180.0° |
| C29 | C30 | C32 | H28 | 129.3° | 6.0° |
| O38 | C37 | N36 | O1 | 161.2° | 179.9° |
| O38 | C37 | N36 | C35 | 156.1° | 179.9° |
| O38 | C37 | N36 | C32 | 21.2° | 0.0° |
| O38 | C37 | O1 | H15 | 0.0° | 0.1° |
| C37 | N36 | C35 | C32 | 177.7° | 180.0° |
| C37 | N36 | C35 | C34 | 164.4° | 155.9° |
| C37 | N36 | C32 | C30 | 79.0° | 61.7° |
| C37 | N36 | C32 | C33 | 162.5° | 178.9° |
| C37 | N36 | C32 | H28 | 47.0° | 59.4° |
| C37 | N36 | C35 | H33 | 44.4° | 85.3° |
| C37 | N36 | C35 | H34 | 75.6° | 37.0° |
| N36 | C37 | O1 | H15 | 164.0° | 180.0° |
| C20 | C21 | N22 | H13 | 120.4° | 120.0° |
| C20 | C21 | N22 | H14 | 120.4° | 120.0° |
| C20 | C21 | N22 | C23 | 172.5° | 170.0° |
| C20 | C21 | N22 | C25 | 65.6° | 66.1° |
| C21 | C20 | H11 | H12 | 119.8° | 120.1° |
| C20 | C21 | H13 | H14 | 118.6° | 120.1° |
| C21 | N22 | C23 | C25 | 119.4° | 124.0° |
| C21 | N22 | C23 | C24 | 150.7° | 76.0° |
| C21 | N22 | C25 | C26 | 136.0° | 164.8° |
| N22 | C21 | C20 | H11 | 1.3° | 60.0° |
| N22 | C21 | C20 | H12 | 121.1° | 60.0° |
| N22 | C21 | H13 | H14 | 118.6° | 120.0° |
| C21 | N22 | C23 | H16 | 30.2° | 44.0° |
| C21 | N22 | C23 | H17 | 88.9° | 164.0° |
| C21 | N22 | C25 | H21 | 15.8° | 75.2° |
| C21 | N22 | C25 | H22 | 103.8° | 44.8° |
| N36 | C35 | C34 | H33 | 120.0° | 118.8° |
| N36 | C35 | C34 | H34 | 120.0° | 118.9° |
| C35 | N36 | C32 | C30 | 103.4° | 118.4° |
| N36 | C35 | C34 | C33 | 5.9° | 37.0° |
| C35 | N36 | C32 | C33 | 15.1° | 1.0° |
| C35 | N36 | C32 | H28 | 130.6° | 120.6° |
| N36 | C35 | C34 | H31 | 113.6° | 155.1° |
| N36 | C35 | C34 | H32 | 125.4° | 81.1° |
| N36 | C35 | H33 | H34 | 120.0° | 122.3° |
| C35 | N36 | C37 | O1 | 42.8° | 0.0° |
| C34 | C35 | N36 | C32 | 13.3° | 24.1° |
| C35 | C34 | C33 | H31 | 119.5° | 118.1° |
| C35 | C34 | C33 | H32 | 119.5° | 118.1° |
| C35 | C34 | C33 | C32 | 3.7° | 35.5° |
| C35 | C34 | C33 | H29 | 116.1° | 82.9° |
| C35 | C34 | C33 | H30 | 123.5° | 154.0° |
| C35 | C34 | H31 | H32 | 121.3° | 123.9° |
| C34 | C35 | H33 | H34 | 120.0° | 122.3° |
| N36 | C32 | C30 | C33 | 118.9° | 117.8° |
| N36 | C32 | C30 | H28 | 126.1° | 121.2° |
| N36 | C32 | C30 | O31 | 175.5° | 52.8° |
| N36 | C32 | C33 | C34 | 11.4° | 22.2° |
| N36 | C32 | C33 | H28 | 115.7° | 119.6° |
| N36 | C32 | C33 | H29 | 108.4° | 96.1° |
| N36 | C32 | C33 | H30 | 131.2° | 140.8° |
| C32 | N36 | C35 | H33 | 133.2° | 94.7° |
| C32 | N36 | C35 | H34 | 106.7° | 142.9° |
| C32 | N36 | C37 | O1 | 140.0° | 179.9° |
| N22 | C23 | C24 | H16 | 120.5° | 120.0° |
| N22 | C23 | C24 | H17 | 120.4° | 120.0° |
| C23 | N22 | C25 | C26 | 107.4° | 71.3° |
| C23 | N22 | C21 | H13 | 67.1° | 50.0° |
| C23 | N22 | C21 | H14 | 52.1° | 70.0° |
| N22 | C23 | H16 | H17 | 118.6° | 120.0° |
| N22 | C23 | C24 | H18 | 180.0° | 67.3° |
| N22 | C23 | C24 | H19 | 60.0° | 172.7° |
| N22 | C23 | C24 | H20 | 60.0° | 52.7° |
| C23 | N22 | C25 | H21 | 132.4° | 48.8° |
| C23 | N22 | C25 | H22 | 12.8° | 168.7° |
| C24 | C23 | N22 | C25 | 31.2° | 160.1° |
| C24 | C23 | H16 | H17 | 118.7° | 120.0° |
| C23 | C24 | H18 | H19 | 120.0° | 120.0° |
| C23 | C24 | H18 | H20 | 120.0° | 120.0° |
| C23 | C24 | H19 | H20 | 120.0° | 120.0° |
| C30 | C32 | C33 | C34 | 117.6° | 141.6° |
| C30 | C32 | C33 | H28 | 115.2° | 121.0° |
| C32 | C30 | C29 | H26 | 5.8° | 0.0° |
| C32 | C30 | O31 | H27 | 8.3° | 0.0° |
| C30 | C32 | C33 | H29 | 122.6° | 23.2° |
| C30 | C32 | C33 | H30 | 2.2° | 99.8° |
| O31 | C30 | C32 | C33 | 56.6° | 65.0° |
| O31 | C30 | C29 | H26 | 165.9° | 180.0° |
| O31 | C30 | C32 | H28 | 58.5° | 174.0° |
| N22 | C25 | C26 | H21 | 120.2° | 120.1° |
| N22 | C25 | C26 | H22 | 120.2° | 120.0° |
| C25 | N22 | C21 | H13 | 54.8° | 173.9° |
| C25 | N22 | C21 | H14 | 174.0° | 53.9° |
| C25 | N22 | C23 | H16 | 89.2° | 80.0° |
| C25 | N22 | C23 | H17 | 151.7° | 40.1° |
| N22 | C25 | H21 | H22 | 119.3° | 120.0° |
| N22 | C25 | C26 | H23 | 180.0° | 57.2° |
| N22 | C25 | C26 | H24 | 60.0° | 177.1° |
| N22 | C25 | C26 | H25 | 60.0° | 62.8° |
| C34 | C33 | C32 | H29 | 119.8° | 118.4° |
| C34 | C33 | C32 | H30 | 119.8° | 118.6° |
| C34 | C33 | C32 | H28 | 127.1° | 97.4° |
| C34 | C33 | H29 | H30 | 120.6° | 123.4° |
| C33 | C34 | H31 | H32 | 121.4° | 123.8° |
| C33 | C34 | C35 | H33 | 125.9° | 81.8° |
| C33 | C34 | C35 | H34 | 114.1° | 155.9° |
| C32 | C33 | H29 | H30 | 120.6° | 123.1° |
| C32 | C33 | C34 | H31 | 123.1° | 153.6° |
| C32 | C33 | C34 | H32 | 115.9° | 82.6° |
| C26 | C25 | H21 | H22 | 119.3° | 120.0° |
| C25 | C26 | H23 | H24 | 120.0° | 120.0° |
| C25 | C26 | H23 | H25 | 120.0° | 120.0° |
| C25 | C26 | H24 | H25 | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 1.2° | 0.0° |
| H5 | C6 | C7 | H6 | 0.8° | 0.6° |
| H7 | C9 | C10 | H8 | 0.7° | 0.1° |
| H9 | C12 | C13 | H10 | 1.5° | 0.3° |
| H11 | C20 | C21 | H13 | 119.2° | 180.0° |
| H11 | C20 | C21 | H14 | 121.7° | 60.0° |
| H12 | C20 | C21 | H13 | 0.6° | 60.0° |
| H12 | C20 | C21 | H14 | 118.5° | 180.0° |
| H16 | C23 | C24 | H18 | 59.5° | 52.7° |
| H16 | C23 | C24 | H19 | 179.5° | 67.3° |
| H16 | C23 | C24 | H20 | 60.5° | 172.7° |
| H17 | C23 | C24 | H18 | 59.6° | 172.7° |
| H17 | C23 | C24 | H19 | 60.4° | 52.7° |
| H17 | C23 | C24 | H20 | 179.6° | 67.3° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
| H21 | C25 | C26 | H23 | 59.8° | 62.9° |
| H21 | C25 | C26 | H24 | 179.8° | 57.1° |
| H21 | C25 | C26 | H25 | 60.2° | 177.1° |
| H22 | C25 | C26 | H23 | 59.8° | 177.1° |
| H22 | C25 | C26 | H24 | 60.2° | 62.9° |
| H22 | C25 | C26 | H25 | 179.7° | 57.2° |
| H23 | C26 | H24 | H25 | 119.9° | 120.0° |
| H28 | C32 | C33 | H29 | 7.4° | 144.2° |
| H28 | C32 | C33 | H30 | 113.0° | 21.2° |
| H29 | C33 | C34 | H31 | 3.4° | 35.3° |
| H29 | C33 | C34 | H32 | 124.3° | 159.0° |
| H30 | C33 | C34 | H31 | 117.0° | 87.9° |
| H30 | C33 | C34 | H32 | 3.9° | 35.8° |
| H31 | C34 | C35 | H33 | 6.4° | 36.3° |
| H31 | C34 | C35 | H34 | 126.4° | 86.1° |
| H32 | C34 | C35 | H33 | 114.6° | 160.1° |
| H32 | C34 | C35 | H34 | 5.5° | 37.7° |
