82L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.36Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| F40 | C36 | sing | 1.35Å | 1.36Å | |
| C36 | C37 | doub | 1.38Å | 1.37Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.50Å | |
| C33 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| O31 | C32 | sing | 1.43Å | 1.43Å | |
| O31 | C29 | sing | 1.36Å | 1.36Å | |
| C37 | C38 | sing | 1.38Å | 1.37Å | Aromatic |
| C38 | F39 | sing | 1.35Å | 1.35Å | |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.33Å | Aromatic |
| N30 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| N5 | C6 | sing | 1.34Å | 1.38Å | Aromatic |
| N5 | C4 | doub | 1.30Å | 1.31Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C22 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.35Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C7 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C20 | N19 | sing | 1.47Å | 1.46Å | |
| N3 | C2 | sing | 1.46Å | 1.47Å | |
| C8 | N9 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| N19 | C24 | sing | 1.47Å | 1.47Å | |
| N19 | C18 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| N9 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | N16 | doub | 1.30Å | 1.31Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.39Å | Aromatic |
| O43 | C41 | doub | 1.21Å | 1.30Å | |
| N16 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C41 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C41 | O42 | sing | 1.35Å | 1.22Å | |
| C14 | C13 | sing | 1.36Å | 1.38Å | Aromatic |
| C35 | H1 | sing | 1.08Å | 1.08Å | |
| C37 | H2 | sing | 1.08Å | 1.08Å | |
| C34 | H3 | sing | 1.08Å | 1.08Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| O42 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C36 | 118.2° | 120.0° |
| C35 | C34 | C33 | 121.5° | 120.0° |
| C34 | C35 | H1 | 120.9° | 120.0° |
| C35 | C34 | H3 | 119.3° | 120.0° |
| C35 | C36 | F40 | 118.5° | 120.0° |
| C35 | C36 | C37 | 123.2° | 120.0° |
| C36 | C35 | H1 | 120.9° | 119.9° |
| C34 | C33 | C32 | 119.4° | 120.0° |
| C34 | C33 | C38 | 116.6° | 120.1° |
| C33 | C34 | H3 | 119.2° | 120.0° |
| F40 | C36 | C37 | 118.3° | 120.0° |
| C36 | C37 | C38 | 116.7° | 120.0° |
| C36 | C37 | H2 | 121.7° | 120.0° |
| C32 | C33 | C38 | 118.6° | 119.9° |
| C33 | C32 | O31 | 111.8° | 109.5° |
| C33 | C32 | H4 | 108.9° | 109.5° |
| C33 | C32 | H5 | 108.9° | 109.5° |
| C33 | C38 | C37 | 123.9° | 119.9° |
| C33 | C38 | F39 | 117.6° | 120.0° |
| C32 | O31 | C29 | 117.4° | 117.0° |
| O31 | C32 | H4 | 108.9° | 109.5° |
| O31 | C32 | H5 | 108.9° | 109.4° |
| O31 | C29 | C28 | 116.0° | 119.7° |
| O31 | C29 | N30 | 119.8° | 119.7° |
| C37 | C38 | F39 | 118.5° | 120.0° |
| C38 | C37 | H2 | 121.7° | 120.0° |
| C29 | C28 | C27 | 117.0° | 119.1° |
| C28 | C29 | N30 | 124.2° | 120.6° |
| C29 | C28 | H31 | 121.5° | 120.4° |
| C28 | C27 | C26 | 119.9° | 118.4° |
| C28 | C27 | H30 | 120.1° | 120.8° |
| C27 | C28 | H31 | 121.5° | 120.4° |
| C29 | N30 | C25 | 117.8° | 121.7° |
| N30 | C25 | C26 | 122.4° | 120.8° |
| N30 | C25 | C22 | 115.3° | 119.6° |
| C27 | C26 | C25 | 118.7° | 119.3° |
| C27 | C26 | H17 | 120.6° | 120.4° |
| C26 | C27 | H30 | 120.1° | 120.8° |
| C6 | N5 | C4 | 104.9° | 109.3° |
| N5 | C6 | C7 | 110.4° | 108.0° |
| N5 | C6 | H7 | 124.8° | 126.0° |
| N5 | C4 | N3 | 112.7° | 108.7° |
| N5 | C4 | H6 | 123.6° | 125.7° |
| C26 | C25 | C22 | 122.1° | 119.6° |
| C25 | C26 | H17 | 120.6° | 120.3° |
| C25 | C22 | C21 | 109.2° | 109.5° |
| C25 | C22 | C23 | 111.8° | 109.5° |
| C25 | C22 | H25 | 109.1° | 109.5° |
| C6 | C7 | N3 | 105.6° | 106.9° |
| C6 | C7 | C8 | 126.0° | 126.6° |
| C7 | C6 | H7 | 124.8° | 126.0° |
| C22 | C21 | C20 | 110.7° | 109.3° |
| C21 | C22 | C23 | 108.9° | 109.2° |
| C22 | C21 | H11 | 109.2° | 109.5° |
| C22 | C21 | H12 | 109.2° | 109.5° |
| C21 | C22 | H25 | 108.9° | 109.5° |
| C21 | C20 | N19 | 111.0° | 109.5° |
| C21 | C20 | H9 | 109.1° | 109.5° |
| C21 | C20 | H10 | 109.1° | 109.4° |
| C20 | C21 | H11 | 109.1° | 109.5° |
| C20 | C21 | H12 | 109.2° | 109.5° |
| C4 | N3 | C7 | 106.3° | 107.1° |
| C4 | N3 | C2 | 127.4° | 126.4° |
| N3 | C4 | H6 | 123.6° | 125.6° |
| C22 | C23 | C24 | 110.8° | 109.2° |
| C23 | C22 | H25 | 108.9° | 109.5° |
| C22 | C23 | H26 | 109.1° | 109.5° |
| C22 | C23 | H27 | 109.1° | 109.5° |
| N3 | C7 | C8 | 128.3° | 126.6° |
| C7 | N3 | C2 | 126.3° | 126.4° |
| C7 | C8 | N9 | 113.7° | 109.5° |
| C7 | C8 | H13 | 108.4° | 109.5° |
| C7 | C8 | H14 | 108.4° | 109.5° |
| C20 | N19 | C24 | 108.8° | 111.2° |
| C20 | N19 | C18 | 110.1° | 111.0° |
| N19 | C20 | H9 | 109.1° | 109.5° |
| N19 | C20 | H10 | 109.1° | 109.5° |
| N3 | C2 | C1 | 111.4° | 109.5° |
| N3 | C2 | H23 | 109.0° | 109.5° |
| N3 | C2 | H24 | 109.0° | 109.5° |
| C8 | N9 | C17 | 128.3° | 126.4° |
| C8 | N9 | C10 | 125.1° | 126.3° |
| N9 | C8 | H13 | 108.4° | 109.5° |
| N9 | C8 | H14 | 108.4° | 109.4° |
| C23 | C24 | N19 | 111.1° | 109.6° |
| C24 | C23 | H26 | 109.1° | 109.5° |
| C24 | C23 | H27 | 109.1° | 109.5° |
| C23 | C24 | H28 | 109.1° | 109.5° |
| C23 | C24 | H29 | 109.1° | 109.5° |
| C24 | N19 | C18 | 111.0° | 111.0° |
| N19 | C24 | H28 | 109.1° | 109.4° |
| N19 | C24 | H29 | 109.1° | 109.5° |
| N19 | C18 | C17 | 114.1° | 109.5° |
| N19 | C18 | H15 | 108.3° | 109.5° |
| N19 | C18 | H16 | 108.3° | 109.4° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.0° | 109.5° |
| C1 | C2 | H24 | 109.0° | 109.5° |
| C18 | C17 | N9 | 123.7° | 124.9° |
| C18 | C17 | N16 | 123.4° | 124.9° |
| C17 | C18 | H15 | 108.3° | 109.5° |
| C17 | C18 | H16 | 108.3° | 109.5° |
| C17 | N9 | C10 | 106.6° | 107.3° |
| N9 | C17 | N16 | 112.8° | 110.1° |
| N9 | C10 | C11 | 132.6° | 134.1° |
| N9 | C10 | C15 | 105.4° | 105.9° |
| C17 | N16 | C15 | 104.9° | 109.7° |
| C10 | C11 | C12 | 118.1° | 119.6° |
| C11 | C10 | C15 | 122.0° | 120.0° |
| C10 | C11 | H21 | 120.9° | 120.2° |
| C11 | C12 | C41 | 119.8° | 119.9° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | H21 | 120.9° | 120.3° |
| C10 | C15 | N16 | 110.2° | 106.9° |
| C10 | C15 | C14 | 119.7° | 119.7° |
| O43 | C41 | C12 | 114.9° | 120.0° |
| O43 | C41 | O42 | 123.4° | 120.0° |
| N16 | C15 | C14 | 130.0° | 133.4° |
| C15 | C14 | C13 | 119.0° | 120.1° |
| C15 | C14 | H22 | 120.5° | 120.0° |
| C41 | C12 | C13 | 120.0° | 120.0° |
| C12 | C41 | O42 | 121.7° | 120.0° |
| C12 | C13 | C14 | 121.1° | 120.5° |
| C12 | C13 | H8 | 119.5° | 119.7° |
| C41 | O42 | H33 | 109.5° | 117.0° |
| C14 | C13 | H8 | 119.4° | 119.8° |
| C13 | C14 | H22 | 120.5° | 119.9° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H20 | 109.5° | 109.4° |
| H19 | C1 | H20 | 109.5° | 109.5° |
| H23 | C2 | H24 | 109.5° | 109.4° |
| H26 | C23 | H27 | 109.5° | 109.6° |
| H28 | C24 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C36 | H1 | 180.0° | 180.0° |
| C35 | C34 | C33 | H3 | 180.0° | 179.9° |
| C34 | C35 | C36 | F40 | 179.8° | 179.8° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C35 | C34 | C33 | C32 | 153.6° | 180.0° |
| C35 | C34 | C33 | C38 | 0.1° | 0.0° |
| C36 | C35 | C34 | C33 | 0.1° | 0.0° |
| C35 | C36 | F40 | C37 | 179.9° | 179.8° |
| C35 | C36 | C37 | C38 | 0.2° | 0.1° |
| C35 | C36 | C37 | H2 | 179.8° | 180.0° |
| C36 | C35 | C34 | H3 | 179.9° | 180.0° |
| C34 | C33 | C32 | C38 | 153.2° | 180.0° |
| C34 | C33 | C32 | O31 | 86.9° | 0.0° |
| C34 | C33 | C38 | C37 | 0.0° | 0.0° |
| C34 | C33 | C38 | F39 | 179.2° | 179.9° |
| C33 | C34 | C35 | H1 | 179.9° | 180.0° |
| C34 | C33 | C32 | H4 | 152.8° | 120.0° |
| C34 | C33 | C32 | H5 | 33.5° | 119.9° |
| F40 | C36 | C37 | C38 | 179.7° | 179.7° |
| F40 | C36 | C35 | H1 | 0.2° | 0.2° |
| F40 | C36 | C37 | H2 | 0.3° | 0.2° |
| C36 | C37 | C38 | C33 | 0.1° | 0.1° |
| C36 | C37 | C38 | H2 | 180.0° | 179.9° |
| C36 | C37 | C38 | F39 | 179.0° | 180.0° |
| C37 | C36 | C35 | H1 | 179.9° | 180.0° |
| C33 | C32 | O31 | H4 | 120.3° | 120.0° |
| C33 | C32 | O31 | H5 | 120.3° | 120.0° |
| C33 | C32 | O31 | C29 | 69.8° | 180.0° |
| C32 | C33 | C38 | C37 | 153.9° | 180.0° |
| C32 | C33 | C38 | F39 | 25.2° | 0.1° |
| C32 | C33 | C34 | H3 | 26.4° | 0.0° |
| C33 | C32 | H4 | H5 | 119.0° | 120.1° |
| C38 | C33 | C32 | O31 | 119.9° | 180.0° |
| C33 | C38 | C37 | F39 | 179.1° | 179.9° |
| C33 | C38 | C37 | H2 | 179.8° | 180.0° |
| C38 | C33 | C34 | H3 | 179.9° | 180.0° |
| C38 | C33 | C32 | H4 | 0.4° | 60.0° |
| C38 | C33 | C32 | H5 | 119.8° | 60.0° |
| C32 | O31 | C29 | C28 | 179.0° | 180.0° |
| C32 | O31 | C29 | N30 | 2.8° | 0.3° |
| O31 | C32 | H4 | H5 | 118.9° | 119.9° |
| O31 | C29 | C28 | N30 | 178.1° | 179.7° |
| O31 | C29 | C28 | C27 | 178.3° | 180.0° |
| O31 | C29 | N30 | C25 | 177.0° | 180.0° |
| C29 | O31 | C32 | H4 | 50.5° | 59.9° |
| C29 | O31 | C32 | H5 | 169.8° | 60.0° |
| O31 | C29 | C28 | H31 | 1.7° | 0.2° |
| F39 | C38 | C37 | H2 | 1.0° | 0.1° |
| C29 | C28 | C27 | H31 | 180.0° | 179.8° |
| C28 | C29 | N30 | C25 | 1.1° | 0.3° |
| C29 | C28 | C27 | C26 | 0.7° | 0.0° |
| C29 | C28 | C27 | H30 | 179.3° | 180.0° |
| C27 | C28 | C29 | N30 | 0.2° | 0.3° |
| C28 | C27 | C26 | H30 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.2° | 0.2° |
| C28 | C27 | C26 | H17 | 179.8° | 180.0° |
| C29 | N30 | C25 | C26 | 2.0° | 0.1° |
| C29 | N30 | C25 | C22 | 173.3° | 180.0° |
| N30 | C29 | C28 | H31 | 179.8° | 179.9° |
| N30 | C25 | C26 | C27 | 1.5° | 0.2° |
| N30 | C25 | C26 | C22 | 175.0° | 180.0° |
| N30 | C25 | C22 | C21 | 63.9° | 95.0° |
| N30 | C25 | C22 | C23 | 175.5° | 145.3° |
| N30 | C25 | C26 | H17 | 178.4° | 180.0° |
| N30 | C25 | C22 | H25 | 55.1° | 25.2° |
| C27 | C26 | C25 | H17 | 180.0° | 179.8° |
| C27 | C26 | C25 | C22 | 173.4° | 179.7° |
| C26 | C27 | C28 | H31 | 179.3° | 179.8° |
| N5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C6 | N5 | C4 | N3 | 0.1° | 0.1° |
| N5 | C6 | C7 | N3 | 0.2° | 0.1° |
| N5 | C6 | C7 | C8 | 178.7° | 179.8° |
| C6 | N5 | C4 | H6 | 179.9° | 179.8° |
| C4 | N5 | C6 | C7 | 0.2° | 0.0° |
| N5 | C4 | N3 | H6 | 180.0° | 180.0° |
| N5 | C4 | N3 | C7 | 0.1° | 0.2° |
| N5 | C4 | N3 | C2 | 180.0° | 179.9° |
| C4 | N5 | C6 | H7 | 179.8° | 179.9° |
| C26 | C25 | C22 | C21 | 111.4° | 85.0° |
| C26 | C25 | C22 | C23 | 9.1° | 34.7° |
| C26 | C25 | C22 | H25 | 129.6° | 154.9° |
| C25 | C26 | C27 | H30 | 179.9° | 179.7° |
| C25 | C22 | C21 | C23 | 122.3° | 119.9° |
| C25 | C22 | C21 | H25 | 119.1° | 120.1° |
| C25 | C22 | C21 | C20 | 176.2° | 177.6° |
| C25 | C22 | C23 | H25 | 120.6° | 120.2° |
| C25 | C22 | C23 | C24 | 174.1° | 177.5° |
| C25 | C22 | C21 | H11 | 56.0° | 62.5° |
| C25 | C22 | C21 | H12 | 63.6° | 57.6° |
| C22 | C25 | C26 | H17 | 6.6° | 0.0° |
| C25 | C22 | C23 | H26 | 65.7° | 62.5° |
| C25 | C22 | C23 | H27 | 53.9° | 57.6° |
| C6 | C7 | N3 | C4 | 0.2° | 0.2° |
| C6 | C7 | N3 | C8 | 178.9° | 179.9° |
| C6 | C7 | N3 | C2 | 179.9° | 180.0° |
| C6 | C7 | C8 | N9 | 135.1° | 82.9° |
| C6 | C7 | C8 | H13 | 14.5° | 157.1° |
| C6 | C7 | C8 | H14 | 104.3° | 37.1° |
| C22 | C21 | C20 | H11 | 120.2° | 120.0° |
| C22 | C21 | C20 | H12 | 120.2° | 120.0° |
| C21 | C22 | C23 | H25 | 118.6° | 119.9° |
| C22 | C21 | C20 | N19 | 59.3° | 59.2° |
| C21 | C22 | C23 | C24 | 53.3° | 57.6° |
| C22 | C21 | C20 | H9 | 179.5° | 179.2° |
| C22 | C21 | C20 | H10 | 60.9° | 60.8° |
| C22 | C21 | H11 | H12 | 119.4° | 120.1° |
| C21 | C22 | C23 | H26 | 173.5° | 177.6° |
| C21 | C22 | C23 | H27 | 66.9° | 62.3° |
| C20 | C21 | C22 | C23 | 53.9° | 57.7° |
| C21 | C20 | N19 | H9 | 120.2° | 120.0° |
| C21 | C20 | N19 | H10 | 120.3° | 120.0° |
| C21 | C20 | N19 | C24 | 61.9° | 61.7° |
| C21 | C20 | N19 | C18 | 176.3° | 174.2° |
| C21 | C20 | H9 | H10 | 119.3° | 119.9° |
| C20 | C21 | H11 | H12 | 119.4° | 120.0° |
| C20 | C21 | C22 | H25 | 64.7° | 62.3° |
| C4 | N3 | C7 | C2 | 180.0° | 179.8° |
| C4 | N3 | C7 | C8 | 178.7° | 179.8° |
| C4 | N3 | C2 | C1 | 76.2° | 87.8° |
| C4 | N3 | C2 | H23 | 163.5° | 32.2° |
| C4 | N3 | C2 | H24 | 44.1° | 152.2° |
| C22 | C23 | C24 | H26 | 120.2° | 119.9° |
| C22 | C23 | C24 | H27 | 120.2° | 119.9° |
| C22 | C23 | C24 | N19 | 58.1° | 59.2° |
| C23 | C22 | C21 | H11 | 66.3° | 177.6° |
| C23 | C22 | C21 | H12 | 174.1° | 62.3° |
| C22 | C23 | H26 | H27 | 119.4° | 120.1° |
| C22 | C23 | C24 | H28 | 62.1° | 60.9° |
| C22 | C23 | C24 | H29 | 178.4° | 179.2° |
| N3 | C7 | C8 | N9 | 43.6° | 97.1° |
| C7 | N3 | C2 | C1 | 103.8° | 91.9° |
| C7 | N3 | C4 | H6 | 179.9° | 179.8° |
| N3 | C7 | C6 | H7 | 179.8° | 180.0° |
| N3 | C7 | C8 | H13 | 164.2° | 22.9° |
| N3 | C7 | C8 | H14 | 77.0° | 143.0° |
| C7 | N3 | C2 | H23 | 16.5° | 148.1° |
| C7 | N3 | C2 | H24 | 135.9° | 28.1° |
| C8 | C7 | N3 | C2 | 1.2° | 0.0° |
| C7 | C8 | N9 | H13 | 120.6° | 120.0° |
| C7 | C8 | N9 | H14 | 120.6° | 120.0° |
| C7 | C8 | N9 | C17 | 58.0° | 83.8° |
| C7 | C8 | N9 | C10 | 120.5° | 96.4° |
| C8 | C7 | C6 | H7 | 1.3° | 0.0° |
| C7 | C8 | H13 | H14 | 118.0° | 120.0° |
| C20 | N19 | C24 | C23 | 61.3° | 61.7° |
| C20 | N19 | C24 | C18 | 121.3° | 124.1° |
| C20 | N19 | C18 | C17 | 156.6° | 164.3° |
| N19 | C20 | H9 | H10 | 119.3° | 120.0° |
| N19 | C20 | C21 | H11 | 60.9° | 179.1° |
| N19 | C20 | C21 | H12 | 179.5° | 60.8° |
| C20 | N19 | C18 | H15 | 35.9° | 75.6° |
| C20 | N19 | C18 | H16 | 82.7° | 44.3° |
| C20 | N19 | C24 | H28 | 59.0° | 58.3° |
| C20 | N19 | C24 | H29 | 178.5° | 178.2° |
| N3 | C2 | C1 | H23 | 120.3° | 120.0° |
| N3 | C2 | C1 | H24 | 120.3° | 120.0° |
| C2 | N3 | C4 | H6 | 0.0° | 0.0° |
| N3 | C2 | C1 | H18 | 180.0° | 53.5° |
| N3 | C2 | C1 | H19 | 60.0° | 66.5° |
| N3 | C2 | C1 | H20 | 60.0° | 173.5° |
| N3 | C2 | H23 | H24 | 119.1° | 120.0° |
| C8 | N9 | C17 | C18 | 1.5° | 0.0° |
| C8 | N9 | C17 | C10 | 178.7° | 179.9° |
| C8 | N9 | C17 | N16 | 178.9° | 179.7° |
| C8 | N9 | C10 | C11 | 0.5° | 0.0° |
| C8 | N9 | C10 | C15 | 178.6° | 179.7° |
| N9 | C8 | H13 | H14 | 118.1° | 120.0° |
| C23 | C24 | N19 | H28 | 120.2° | 120.1° |
| C23 | C24 | N19 | H29 | 120.2° | 120.0° |
| C23 | C24 | N19 | C18 | 177.4° | 174.1° |
| C24 | C23 | C22 | H25 | 65.3° | 62.3° |
| C24 | C23 | H26 | H27 | 119.4° | 120.1° |
| C23 | C24 | H28 | H29 | 119.2° | 119.9° |
| C24 | N19 | C18 | C17 | 82.8° | 71.4° |
| C24 | N19 | C20 | H9 | 177.9° | 178.3° |
| C24 | N19 | C20 | H10 | 58.4° | 58.3° |
| C24 | N19 | C18 | H15 | 156.5° | 48.6° |
| C24 | N19 | C18 | H16 | 37.8° | 168.5° |
| N19 | C24 | C23 | H26 | 178.3° | 179.1° |
| N19 | C24 | C23 | H27 | 62.1° | 60.7° |
| N19 | C24 | H28 | H29 | 119.3° | 119.9° |
| N19 | C18 | C17 | H15 | 120.7° | 120.0° |
| N19 | C18 | C17 | H16 | 120.7° | 120.0° |
| N19 | C18 | C17 | N9 | 63.3° | 97.1° |
| N19 | C18 | C17 | N16 | 119.6° | 83.2° |
| C18 | N19 | C20 | H9 | 56.0° | 54.2° |
| C18 | N19 | C20 | H10 | 63.5° | 65.8° |
| N19 | C18 | H15 | H16 | 117.9° | 119.9° |
| C18 | N19 | C24 | H28 | 62.4° | 65.8° |
| C18 | N19 | C24 | H29 | 57.1° | 54.1° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H20 | 120.0° | 120.0° |
| C2 | C1 | H19 | H20 | 120.0° | 120.1° |
| C1 | C2 | H23 | H24 | 119.1° | 120.0° |
| C18 | C17 | N9 | N16 | 177.3° | 179.7° |
| C18 | C17 | N9 | C10 | 177.2° | 179.8° |
| C18 | C17 | N16 | C15 | 177.0° | 180.0° |
| C17 | C18 | H15 | H16 | 117.9° | 120.0° |
| C17 | N9 | C10 | C11 | 179.3° | 179.9° |
| C17 | N9 | C10 | C15 | 0.2° | 0.4° |
| N9 | C17 | N16 | C15 | 0.4° | 0.3° |
| C17 | N9 | C8 | H13 | 62.7° | 156.2° |
| C17 | N9 | C8 | H14 | 178.6° | 36.2° |
| N9 | C17 | C18 | H15 | 57.4° | 22.9° |
| N9 | C17 | C18 | H16 | 176.0° | 142.9° |
| C10 | N9 | C17 | N16 | 0.1° | 0.4° |
| N9 | C10 | C11 | C15 | 179.0° | 179.7° |
| N9 | C10 | C11 | C12 | 178.5° | 180.0° |
| N9 | C10 | C15 | N16 | 0.4° | 0.2° |
| N9 | C10 | C15 | C14 | 178.6° | 180.0° |
| C10 | N9 | C8 | H13 | 118.8° | 23.7° |
| C10 | N9 | C8 | H14 | 0.1° | 143.7° |
| N9 | C10 | C11 | H21 | 1.5° | 0.3° |
| C17 | N16 | C15 | C10 | 0.5° | 0.1° |
| C17 | N16 | C15 | C14 | 178.4° | 179.7° |
| N16 | C17 | C18 | H15 | 119.7° | 156.8° |
| N16 | C17 | C18 | H16 | 1.1° | 36.8° |
| C10 | C11 | C12 | H21 | 180.0° | 179.7° |
| C11 | C10 | C15 | N16 | 179.7° | 180.0° |
| C11 | C10 | C15 | C14 | 0.6° | 0.2° |
| C10 | C11 | C12 | C41 | 179.5° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.2° |
| C11 | C12 | C41 | O43 | 0.4° | 0.0° |
| C11 | C12 | C41 | C13 | 179.7° | 180.0° |
| C11 | C12 | C41 | O42 | 178.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.3° |
| C11 | C12 | C13 | H8 | 179.3° | 180.0° |
| C10 | C15 | N16 | C14 | 178.9° | 179.7° |
| C10 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C10 | C11 | H21 | 179.5° | 179.9° |
| C10 | C15 | C14 | H22 | 179.9° | 180.0° |
| O43 | C41 | C12 | O42 | 179.2° | 180.0° |
| O43 | C41 | C12 | C13 | 179.9° | 180.0° |
| O43 | C41 | O42 | H33 | 0.0° | 0.0° |
| N16 | C15 | C14 | C13 | 178.9° | 179.6° |
| N16 | C15 | C14 | H22 | 1.1° | 0.3° |
| C15 | C14 | C13 | C12 | 0.5° | 0.3° |
| C15 | C14 | C13 | H22 | 180.0° | 180.0° |
| C15 | C14 | C13 | H8 | 179.5° | 180.0° |
| C41 | C12 | C13 | C14 | 179.0° | 179.7° |
| C41 | C12 | C13 | H8 | 1.0° | 0.0° |
| C41 | C12 | C11 | H21 | 0.5° | 0.3° |
| C12 | C41 | O42 | H33 | 179.1° | 180.0° |
| C13 | C12 | C41 | O42 | 0.9° | 0.0° |
| C12 | C13 | C14 | H8 | 180.0° | 179.7° |
| C13 | C12 | C11 | H21 | 179.8° | 179.7° |
| C12 | C13 | C14 | H22 | 179.5° | 179.7° |
| H1 | C35 | C34 | H3 | 0.1° | 0.0° |
| H8 | C13 | C14 | H22 | 0.5° | 0.0° |
| H9 | C20 | C21 | H11 | 59.3° | 60.8° |
| H9 | C20 | C21 | H12 | 60.3° | 59.2° |
| H10 | C20 | C21 | H11 | 178.9° | 59.1° |
| H10 | C20 | C21 | H12 | 59.3° | 179.2° |
| H11 | C21 | C22 | H25 | 175.1° | 57.7° |
| H12 | C21 | C22 | H25 | 55.5° | 177.7° |
| H17 | C26 | C27 | H30 | 0.2° | 0.0° |
| H18 | C1 | H19 | H20 | 120.0° | 120.0° |
| H18 | C1 | C2 | H23 | 59.7° | 173.6° |
| H18 | C1 | C2 | H24 | 59.7° | 66.5° |
| H19 | C1 | C2 | H23 | 179.7° | 53.6° |
| H19 | C1 | C2 | H24 | 60.3° | 173.5° |
| H20 | C1 | C2 | H23 | 60.3° | 66.5° |
| H20 | C1 | C2 | H24 | 179.7° | 53.5° |
| H25 | C22 | C23 | H26 | 54.9° | 57.6° |
| H25 | C22 | C23 | H27 | 174.5° | 177.8° |
| H26 | C23 | C24 | H28 | 58.0° | 59.1° |
| H26 | C23 | C24 | H29 | 61.4° | 60.9° |
| H27 | C23 | C24 | H28 | 177.7° | 179.2° |
| H27 | C23 | C24 | H29 | 58.2° | 59.3° |
| H30 | C27 | C28 | H31 | 0.7° | 0.2° |
