BWU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C44 | C41 | doub | 1.37Å | 1.38Å | |
| C44 | C43 | sing | 1.41Å | 1.40Å | |
| C41 | C42 | sing | 1.40Å | 1.37Å | |
| C43 | N4 | doub | 1.39Å | 1.35Å | |
| C43 | C28 | sing | 1.47Å | 1.50Å | |
| N4 | C42 | sing | 1.39Å | 1.34Å | |
| N4 | CO | sing | 1.97Å | 1.82Å | |
| C42 | C40 | doub | 1.46Å | 1.39Å | |
| C40 | C37 | sing | 1.40Å | 1.38Å | |
| C40 | N3 | sing | 1.39Å | 1.35Å | |
| C37 | C38 | doub | 1.37Å | 1.37Å | |
| N3 | C39 | sing | 1.39Å | 1.36Å | |
| N3 | CO | sing | 1.97Å | 1.73Å | |
| C39 | C38 | sing | 1.41Å | 1.39Å | |
| C39 | C26 | doub | 1.48Å | 1.48Å | |
| C26 | C22 | sing | 1.53Å | 1.49Å | |
| C26 | C25 | sing | 1.43Å | 1.34Å | |
| C22 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.37Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.37Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C24 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | doub | 1.43Å | 1.34Å | |
| C24 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.37Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C23 | sing | 1.53Å | 1.49Å | |
| C27 | C29 | sing | 1.48Å | 1.49Å | |
| C29 | C32 | doub | 1.41Å | 1.40Å | Aromatic |
| C29 | N1 | sing | 1.39Å | 1.35Å | Aromatic |
| C32 | C31 | sing | 1.36Å | 1.38Å | Aromatic |
| C31 | C30 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | N1 | sing | 1.39Å | 1.35Å | Aromatic |
| C30 | C36 | sing | 1.46Å | 1.39Å | |
| N1 | CO | sing | 1.98Å | 1.86Å | |
| C36 | N2 | doub | 1.39Å | 1.34Å | |
| C36 | C35 | sing | 1.39Å | 1.38Å | |
| N2 | C33 | sing | 1.39Å | 1.35Å | |
| N2 | CO | sing | 1.97Å | 1.84Å | |
| C35 | C34 | doub | 1.36Å | 1.37Å | |
| C34 | C33 | sing | 1.41Å | 1.40Å | |
| C33 | C25 | doub | 1.48Å | 1.49Å | |
| C25 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 0.94Å | 1.08Å | |
| C13 | H2 | sing | 0.94Å | 1.08Å | |
| C15 | H3 | sing | 0.94Å | 1.08Å | |
| C20 | H4 | sing | 0.94Å | 1.08Å | |
| C11 | H5 | sing | 0.94Å | 1.08Å | |
| C12 | H6 | sing | 0.94Å | 1.08Å | |
| C19 | H7 | sing | 0.94Å | 1.08Å | |
| C44 | H8 | sing | 0.94Å | 1.08Å | |
| C41 | H9 | sing | 0.94Å | 1.08Å | |
| C37 | H11 | sing | 0.94Å | 1.08Å | |
| C38 | H13 | sing | 0.94Å | 1.08Å | |
| C9 | H14 | sing | 0.94Å | 1.08Å | |
| C8 | H15 | sing | 0.94Å | 1.08Å | |
| C7 | H16 | sing | 0.94Å | 1.08Å | |
| C6 | H17 | sing | 0.94Å | 1.08Å | |
| C18 | H18 | sing | 0.94Å | 1.08Å | |
| C17 | H19 | sing | 0.94Å | 1.08Å | |
| C16 | H20 | sing | 0.94Å | 1.08Å | |
| C14 | H21 | sing | 0.94Å | 1.08Å | |
| C32 | H22 | sing | 0.94Å | 1.08Å | |
| C31 | H23 | sing | 0.94Å | 1.08Å | |
| C35 | H24 | sing | 0.94Å | 1.08Å | |
| C34 | H26 | sing | 0.94Å | 1.08Å | |
| C1 | H27 | sing | 0.94Å | 1.08Å | |
| C5 | H28 | sing | 0.94Å | 1.08Å | |
| C4 | H29 | sing | 0.94Å | 1.08Å | |
| C3 | H30 | sing | 0.94Å | 1.08Å | |
| C2 | H31 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C10 | C9 | 119.1° | 121.3° |
| C10 | C22 | C26 | 119.9° | 121.0° |
| C10 | C22 | C6 | 120.5° | 116.9° |
| C22 | C10 | H1 | 120.5° | 119.5° |
| C10 | C9 | C8 | 120.4° | 120.3° |
| C9 | C10 | H1 | 120.4° | 119.1° |
| C10 | C9 | H14 | 119.8° | 119.8° |
| C12 | C13 | C14 | 120.1° | 119.6° |
| C13 | C12 | C11 | 119.7° | 120.3° |
| C12 | C13 | H2 | 120.0° | 120.2° |
| C13 | C12 | H6 | 120.2° | 119.9° |
| C13 | C14 | C15 | 120.2° | 120.3° |
| C14 | C13 | H2 | 119.9° | 120.2° |
| C13 | C14 | H21 | 119.9° | 119.9° |
| C23 | C15 | C14 | 119.4° | 121.1° |
| C15 | C23 | C11 | 120.5° | 117.2° |
| C15 | C23 | C27 | 119.8° | 121.2° |
| C23 | C15 | H3 | 120.3° | 119.6° |
| C14 | C15 | H3 | 120.3° | 119.1° |
| C15 | C14 | H21 | 119.9° | 119.8° |
| C19 | C20 | C24 | 119.9° | 121.4° |
| C20 | C19 | C18 | 120.4° | 120.3° |
| C19 | C20 | H4 | 120.0° | 119.0° |
| C20 | C19 | H7 | 119.8° | 119.8° |
| C20 | C24 | C28 | 120.0° | 121.0° |
| C20 | C24 | C16 | 119.9° | 116.8° |
| C24 | C20 | H4 | 120.0° | 119.5° |
| C12 | C11 | C23 | 120.0° | 121.1° |
| C12 | C11 | H5 | 120.0° | 119.3° |
| C11 | C12 | H6 | 120.2° | 119.8° |
| C11 | C23 | C27 | 119.7° | 121.2° |
| C23 | C11 | H5 | 120.0° | 119.4° |
| C19 | C18 | C17 | 119.5° | 119.6° |
| C18 | C19 | H7 | 119.8° | 119.9° |
| C19 | C18 | H18 | 120.2° | 120.2° |
| C41 | C44 | C43 | 107.9° | 109.0° |
| C44 | C41 | C42 | 104.8° | 106.7° |
| C41 | C44 | H8 | 126.1° | 124.3° |
| C44 | C41 | H9 | 127.6° | 125.8° |
| C44 | C43 | N4 | 108.6° | 107.6° |
| C44 | C43 | C28 | 124.0° | 127.0° |
| C43 | C44 | H8 | 126.1° | 126.4° |
| C41 | C42 | N4 | 112.2° | 109.5° |
| C41 | C42 | C40 | 124.3° | 131.2° |
| C42 | C41 | H9 | 127.6° | 127.6° |
| N4 | C43 | C28 | 127.4° | 124.8° |
| C43 | N4 | C42 | 106.6° | 106.9° |
| C43 | N4 | CO | 161.8° | 147.7° |
| C43 | C28 | C24 | 118.1° | 116.4° |
| C43 | C28 | C27 | 124.3° | 123.7° |
| C42 | N4 | CO | 91.6° | 105.0° |
| N4 | C42 | C40 | 123.5° | 119.3° |
| N4 | CO | N3 | 107.9° | 91.0° |
| N4 | CO | N1 | 74.1° | 82.6° |
| N4 | CO | N2 | 175.2° | 154.0° |
| C42 | C40 | C37 | 123.9° | 131.1° |
| C42 | C40 | N3 | 123.8° | 119.3° |
| C37 | C40 | N3 | 112.3° | 109.6° |
| C40 | C37 | C38 | 104.8° | 106.6° |
| C40 | C37 | H11 | 127.6° | 127.6° |
| C40 | N3 | C39 | 105.7° | 106.9° |
| C40 | N3 | CO | 93.2° | 104.8° |
| C37 | C38 | C39 | 108.0° | 109.2° |
| C38 | C37 | H11 | 127.6° | 125.8° |
| C37 | C38 | H13 | 126.0° | 124.2° |
| C39 | N3 | CO | 161.1° | 148.2° |
| N3 | C39 | C38 | 109.2° | 107.4° |
| N3 | C39 | C26 | 127.6° | 125.9° |
| N3 | CO | N1 | 177.2° | 153.4° |
| N3 | CO | N2 | 76.6° | 82.6° |
| C38 | C39 | C26 | 123.2° | 126.3° |
| C39 | C38 | H13 | 126.0° | 126.6° |
| C39 | C26 | C22 | 116.4° | 114.6° |
| C39 | C26 | C25 | 125.2° | 126.3° |
| C22 | C26 | C25 | 118.5° | 117.1° |
| C26 | C22 | C6 | 119.6° | 121.5° |
| C26 | C25 | C33 | 124.8° | 127.1° |
| C26 | C25 | C21 | 118.6° | 116.0° |
| C22 | C6 | C7 | 120.8° | 121.4° |
| C22 | C6 | H17 | 119.6° | 119.7° |
| C9 | C8 | C7 | 120.4° | 119.5° |
| C8 | C9 | H14 | 119.8° | 119.8° |
| C9 | C8 | H15 | 119.8° | 120.2° |
| C8 | C7 | C6 | 118.9° | 120.3° |
| C7 | C8 | H15 | 119.7° | 120.2° |
| C8 | C7 | H16 | 120.6° | 119.9° |
| C6 | C7 | H16 | 120.6° | 119.9° |
| C7 | C6 | H17 | 119.6° | 118.9° |
| C24 | C28 | C27 | 116.2° | 117.9° |
| C28 | C24 | C16 | 120.0° | 121.7° |
| C28 | C27 | C23 | 118.1° | 115.5° |
| C28 | C27 | C29 | 125.2° | 126.2° |
| C24 | C16 | C17 | 120.0° | 121.4° |
| C24 | C16 | H20 | 120.0° | 119.7° |
| C18 | C17 | C16 | 120.3° | 120.3° |
| C17 | C18 | H18 | 120.2° | 120.2° |
| C18 | C17 | H19 | 119.9° | 119.9° |
| C16 | C17 | H19 | 119.9° | 119.8° |
| C17 | C16 | H20 | 120.0° | 118.8° |
| C23 | C27 | C29 | 115.9° | 118.1° |
| C27 | C29 | C32 | 122.7° | 125.6° |
| C27 | C29 | N1 | 127.9° | 126.8° |
| C32 | C29 | N1 | 109.4° | 107.6° |
| C29 | C32 | C31 | 108.1° | 109.2° |
| C29 | C32 | H22 | 126.0° | 126.7° |
| C29 | N1 | C30 | 105.5° | 106.8° |
| C29 | N1 | CO | 159.2° | 149.1° |
| C32 | C31 | C30 | 104.3° | 106.8° |
| C31 | C32 | H22 | 126.0° | 124.2° |
| C32 | C31 | H23 | 127.8° | 125.7° |
| C31 | C30 | N1 | 112.7° | 109.7° |
| C31 | C30 | C36 | 123.6° | 130.4° |
| C30 | C31 | H23 | 127.8° | 127.5° |
| N1 | C30 | C36 | 123.7° | 120.0° |
| C30 | N1 | CO | 95.3° | 104.0° |
| C30 | C36 | N2 | 123.0° | 120.0° |
| C30 | C36 | C35 | 124.1° | 130.3° |
| N1 | CO | N2 | 101.3° | 91.9° |
| N2 | C36 | C35 | 112.9° | 109.6° |
| C36 | N2 | C33 | 105.6° | 107.0° |
| C36 | N2 | CO | 96.6° | 104.1° |
| C36 | C35 | C34 | 104.5° | 106.8° |
| C36 | C35 | H24 | 127.7° | 127.6° |
| C33 | N2 | CO | 157.8° | 148.9° |
| N2 | C33 | C34 | 109.5° | 107.3° |
| N2 | C33 | C25 | 126.8° | 127.0° |
| C35 | C34 | C33 | 107.5° | 109.3° |
| C34 | C35 | H24 | 127.8° | 125.7° |
| C35 | C34 | H26 | 126.2° | 124.0° |
| C34 | C33 | C25 | 123.7° | 125.5° |
| C33 | C34 | H26 | 126.3° | 126.7° |
| C33 | C25 | C21 | 116.4° | 116.0° |
| C25 | C21 | C1 | 120.2° | 121.7° |
| C25 | C21 | C5 | 119.9° | 120.6° |
| C1 | C21 | C5 | 119.9° | 117.2° |
| C21 | C1 | C2 | 120.3° | 121.1° |
| C21 | C1 | H27 | 119.8° | 119.5° |
| C21 | C5 | C4 | 119.7° | 121.2° |
| C21 | C5 | H28 | 120.2° | 119.4° |
| C1 | C2 | C3 | 120.2° | 120.3° |
| C2 | C1 | H27 | 119.9° | 119.2° |
| C1 | C2 | H31 | 119.9° | 119.8° |
| C5 | C4 | C3 | 120.5° | 120.2° |
| C4 | C5 | H28 | 120.1° | 119.3° |
| C5 | C4 | H29 | 119.7° | 119.9° |
| C4 | C3 | C2 | 119.3° | 119.6° |
| C3 | C4 | H29 | 119.7° | 119.9° |
| C4 | C3 | H30 | 120.3° | 120.2° |
| C2 | C3 | H30 | 120.3° | 120.1° |
| C3 | C2 | H31 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C10 | C9 | H1 | 180.0° | 174.6° |
| C10 | C22 | C26 | C39 | 106.6° | 122.8° |
| C10 | C22 | C26 | C6 | 180.0° | 171.2° |
| C10 | C22 | C26 | C25 | 72.6° | 42.3° |
| C22 | C10 | C9 | C8 | 0.2° | 4.1° |
| C10 | C22 | C6 | C7 | 0.7° | 5.9° |
| C22 | C10 | C9 | H14 | 179.8° | 176.8° |
| C10 | C22 | C6 | H17 | 179.3° | 177.1° |
| C9 | C10 | C22 | C26 | 179.9° | 178.1° |
| C9 | C10 | C22 | C6 | 0.0° | 6.4° |
| C10 | C9 | C8 | H14 | 180.0° | 179.1° |
| C10 | C9 | C8 | C7 | 0.3° | 0.9° |
| C10 | C9 | C8 | H15 | 179.7° | 179.2° |
| C12 | C13 | C14 | H2 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.9° | 0.9° |
| C13 | C12 | C11 | H6 | 180.0° | 179.3° |
| C13 | C12 | C11 | C23 | 1.3° | 3.6° |
| C13 | C12 | C11 | H5 | 178.6° | 179.0° |
| C12 | C13 | C14 | H21 | 179.1° | 180.0° |
| C13 | C14 | C15 | C23 | 0.8° | 4.1° |
| C13 | C14 | C15 | H21 | 180.0° | 179.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.7° |
| C13 | C14 | C15 | H3 | 179.2° | 178.6° |
| C14 | C13 | C12 | H6 | 179.8° | 180.0° |
| C23 | C15 | C14 | H3 | 180.0° | 174.5° |
| C15 | C23 | C11 | C12 | 1.4° | 6.5° |
| C15 | C23 | C11 | C27 | 179.2° | 171.8° |
| C15 | C23 | C27 | C28 | 72.6° | 42.5° |
| C15 | C23 | C27 | C29 | 117.0° | 133.1° |
| C15 | C23 | C11 | H5 | 178.6° | 178.1° |
| C23 | C15 | C14 | H21 | 179.2° | 176.9° |
| C14 | C15 | C23 | C11 | 0.3° | 6.7° |
| C14 | C15 | C23 | C27 | 179.5° | 178.4° |
| C15 | C14 | C13 | H2 | 179.2° | 179.0° |
| C19 | C20 | C24 | H4 | 180.0° | 175.3° |
| C20 | C19 | C18 | H7 | 180.0° | 179.4° |
| C19 | C20 | C24 | C28 | 178.9° | 178.3° |
| C19 | C20 | C24 | C16 | 0.4° | 5.5° |
| C20 | C19 | C18 | C17 | 1.3° | 0.7° |
| C20 | C19 | C18 | H18 | 178.7° | 179.3° |
| C24 | C20 | C19 | C18 | 0.6° | 3.4° |
| C20 | C24 | C28 | C43 | 96.3° | 126.1° |
| C20 | C24 | C28 | C16 | 178.5° | 172.5° |
| C20 | C24 | C28 | C27 | 70.7° | 38.1° |
| C20 | C24 | C16 | C17 | 0.7° | 5.1° |
| C24 | C20 | C19 | H7 | 179.4° | 177.1° |
| C20 | C24 | C16 | H20 | 179.3° | 177.5° |
| C12 | C11 | C23 | H5 | 180.0° | 175.4° |
| C12 | C11 | C23 | C27 | 179.4° | 178.2° |
| C11 | C12 | C13 | H2 | 179.8° | 179.2° |
| C11 | C23 | C27 | C28 | 108.2° | 128.9° |
| C11 | C23 | C27 | C29 | 62.2° | 55.5° |
| C11 | C23 | C15 | H3 | 179.7° | 178.8° |
| C23 | C11 | C12 | H6 | 178.7° | 177.1° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 1.0° | 0.2° |
| C18 | C19 | C20 | H4 | 179.4° | 178.8° |
| C19 | C18 | C17 | H19 | 179.0° | 179.9° |
| C41 | C44 | C43 | H8 | 180.0° | 173.9° |
| C44 | C41 | C42 | H9 | 180.0° | 179.1° |
| C41 | C44 | C43 | N4 | 0.7° | 4.9° |
| C41 | C44 | C43 | C28 | 179.7° | 176.7° |
| C44 | C41 | C42 | N4 | 0.5° | 0.2° |
| C44 | C41 | C42 | C40 | 178.7° | 177.3° |
| C43 | C44 | C41 | C42 | 0.2° | 3.1° |
| C44 | C43 | N4 | C28 | 178.9° | 172.1° |
| C44 | C43 | N4 | C42 | 1.0° | 4.6° |
| C44 | C43 | N4 | CO | 178.2° | 174.9° |
| C44 | C43 | C28 | C24 | 16.6° | 57.3° |
| C44 | C43 | C28 | C27 | 177.6° | 139.5° |
| C43 | C44 | C41 | H9 | 179.8° | 177.7° |
| C41 | C42 | N4 | C43 | 0.9° | 2.8° |
| C41 | C42 | N4 | C40 | 179.2° | 177.9° |
| C41 | C42 | N4 | CO | 180.0° | 177.4° |
| C41 | C42 | C40 | C37 | 1.8° | 2.2° |
| C41 | C42 | C40 | N3 | 178.3° | 175.5° |
| C42 | C41 | C44 | H8 | 179.8° | 177.2° |
| C43 | N4 | C42 | CO | 179.1° | 174.7° |
| C43 | N4 | C42 | C40 | 178.3° | 179.4° |
| C43 | N4 | CO | N3 | 175.6° | 177.4° |
| N4 | C43 | C28 | C24 | 164.7° | 113.2° |
| N4 | C43 | C28 | C27 | 1.1° | 50.0° |
| C43 | N4 | CO | N1 | 2.3° | 23.3° |
| C43 | N4 | CO | N2 | 15.3° | 102.4° |
| N4 | C43 | C44 | H8 | 179.3° | 178.8° |
| C28 | C43 | N4 | C42 | 179.9° | 176.7° |
| C28 | C43 | N4 | CO | 2.9° | 13.0° |
| C43 | C28 | C24 | C27 | 166.9° | 164.2° |
| C43 | C28 | C24 | C16 | 85.2° | 61.4° |
| C43 | C28 | C27 | C23 | 172.5° | 150.1° |
| C43 | C28 | C27 | C29 | 3.1° | 25.1° |
| C28 | C43 | C44 | H8 | 0.3° | 9.4° |
| N4 | C42 | C40 | C37 | 179.1° | 179.6° |
| N4 | C42 | C40 | N3 | 0.8° | 1.9° |
| C42 | N4 | CO | N3 | 1.7° | 7.0° |
| C42 | N4 | CO | N1 | 179.6° | 147.1° |
| C42 | N4 | CO | N2 | 162.0° | 68.0° |
| N4 | C42 | C41 | H9 | 179.5° | 179.4° |
| CO | N4 | C42 | C40 | 0.8° | 4.7° |
| N4 | CO | N3 | C40 | 2.0° | 7.9° |
| N4 | CO | N3 | C39 | 179.6° | 177.7° |
| N4 | CO | N3 | N1 | 134.6° | 75.3° |
| N4 | CO | N3 | N2 | 178.3° | 154.8° |
| N4 | CO | N1 | C29 | 1.4° | 22.2° |
| N4 | CO | N1 | C30 | 179.3° | 154.0° |
| N4 | CO | N1 | N2 | 178.5° | 154.5° |
| N4 | CO | N2 | C36 | 19.2° | 77.2° |
| N4 | CO | N2 | C33 | 164.7° | 106.0° |
| C42 | C40 | C37 | N3 | 179.9° | 177.9° |
| C42 | C40 | C37 | C38 | 178.8° | 178.1° |
| C42 | C40 | N3 | C39 | 179.0° | 175.9° |
| C42 | C40 | N3 | CO | 1.8° | 7.2° |
| C40 | C42 | C41 | H9 | 1.3° | 1.9° |
| C42 | C40 | C37 | H11 | 1.3° | 3.2° |
| C40 | C37 | C38 | H11 | 180.0° | 178.7° |
| C37 | C40 | N3 | C39 | 1.1° | 2.3° |
| C37 | C40 | N3 | CO | 178.0° | 174.6° |
| C40 | C37 | C38 | C39 | 1.0° | 2.8° |
| C40 | C37 | C38 | H13 | 179.0° | 179.2° |
| N3 | C40 | C37 | C38 | 1.4° | 0.3° |
| C40 | N3 | C39 | CO | 177.4° | 174.3° |
| C40 | N3 | C39 | C38 | 0.5° | 3.9° |
| C40 | N3 | C39 | C26 | 179.8° | 177.6° |
| C40 | N3 | CO | N1 | 136.6° | 67.5° |
| C40 | N3 | CO | N2 | 179.6° | 146.9° |
| N3 | C40 | C37 | H11 | 178.6° | 178.9° |
| C37 | C38 | C39 | N3 | 0.4° | 4.2° |
| C37 | C38 | C39 | H13 | 180.0° | 178.0° |
| C37 | C38 | C39 | C26 | 179.0° | 177.9° |
| N3 | C39 | C38 | C26 | 179.4° | 173.6° |
| N3 | C39 | C26 | C22 | 179.0° | 126.9° |
| N3 | C39 | C26 | C25 | 0.2° | 36.6° |
| C39 | N3 | CO | N1 | 45.8° | 106.9° |
| C39 | N3 | CO | N2 | 2.1° | 27.5° |
| N3 | C39 | C38 | H13 | 179.6° | 177.8° |
| CO | N3 | C39 | C38 | 177.0° | 170.4° |
| CO | N3 | C39 | C26 | 2.4° | 3.3° |
| N3 | CO | N1 | C29 | 136.6° | 99.5° |
| N3 | CO | N1 | C30 | 45.5° | 76.8° |
| N3 | CO | N1 | N2 | 43.3° | 77.3° |
| N3 | CO | N2 | C36 | 179.9° | 154.1° |
| N3 | CO | N2 | C33 | 4.0° | 29.1° |
| C38 | C39 | C26 | C22 | 1.8° | 60.6° |
| C38 | C39 | C26 | C25 | 179.1° | 135.9° |
| C39 | C38 | C37 | H11 | 178.9° | 178.6° |
| C39 | C26 | C22 | C25 | 179.2° | 165.1° |
| C39 | C26 | C22 | C6 | 73.3° | 65.9° |
| C39 | C26 | C25 | C33 | 2.0° | 15.4° |
| C39 | C26 | C25 | C21 | 173.3° | 153.0° |
| C26 | C39 | C38 | H13 | 1.0° | 4.2° |
| C26 | C22 | C6 | C7 | 179.4° | 177.5° |
| C22 | C26 | C25 | C33 | 178.9° | 147.8° |
| C22 | C26 | C25 | C21 | 5.9° | 43.9° |
| C26 | C22 | C10 | H1 | 0.1° | 7.3° |
| C26 | C22 | C6 | H17 | 0.6° | 5.5° |
| C25 | C26 | C22 | C6 | 107.5° | 128.9° |
| C26 | C25 | C33 | N2 | 3.9° | 13.6° |
| C26 | C25 | C33 | C34 | 177.0° | 160.8° |
| C26 | C25 | C33 | C21 | 175.3° | 168.4° |
| C26 | C25 | C21 | C1 | 79.8° | 42.6° |
| C26 | C25 | C21 | C5 | 103.2° | 128.6° |
| C22 | C6 | C7 | C8 | 1.1° | 3.0° |
| C22 | C6 | C7 | H17 | 180.0° | 177.0° |
| C6 | C22 | C10 | H1 | 179.9° | 179.0° |
| C22 | C6 | C7 | H16 | 178.9° | 177.4° |
| C9 | C8 | C7 | H15 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.9° | 0.4° |
| C8 | C9 | C10 | H1 | 179.8° | 178.7° |
| C9 | C8 | C7 | H16 | 179.1° | 180.0° |
| C8 | C7 | C6 | H16 | 180.0° | 179.6° |
| C7 | C8 | C9 | H14 | 179.7° | 180.0° |
| C8 | C7 | C6 | H17 | 178.9° | 180.0° |
| C6 | C7 | C8 | H15 | 179.0° | 179.7° |
| C28 | C24 | C16 | C17 | 179.2° | 177.8° |
| C24 | C28 | C27 | C23 | 6.5° | 46.8° |
| C24 | C28 | C27 | C29 | 162.9° | 137.9° |
| C28 | C24 | C20 | H4 | 1.1° | 6.4° |
| C28 | C24 | C16 | H20 | 0.8° | 4.7° |
| C27 | C28 | C24 | C16 | 107.8° | 134.4° |
| C28 | C27 | C23 | C29 | 170.4° | 175.6° |
| C28 | C27 | C29 | C32 | 179.0° | 167.0° |
| C28 | C27 | C29 | N1 | 2.5° | 13.8° |
| C24 | C16 | C17 | C18 | 0.1° | 2.6° |
| C24 | C16 | C17 | H20 | 180.0° | 177.5° |
| C16 | C24 | C20 | H4 | 179.6° | 179.2° |
| C24 | C16 | C17 | H19 | 180.0° | 177.7° |
| C18 | C17 | C16 | H19 | 180.0° | 179.7° |
| C17 | C18 | C19 | H7 | 178.7° | 179.9° |
| C18 | C17 | C16 | H20 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 179.0° | 179.7° |
| C23 | C27 | C29 | C32 | 9.4° | 8.1° |
| C23 | C27 | C29 | N1 | 172.1° | 171.1° |
| C27 | C23 | C15 | H3 | 0.5° | 7.1° |
| C27 | C23 | C11 | H5 | 0.6° | 6.4° |
| C27 | C29 | C32 | N1 | 178.8° | 179.3° |
| C27 | C29 | C32 | C31 | 178.9° | 179.8° |
| C27 | C29 | N1 | C30 | 178.8° | 179.6° |
| C27 | C29 | N1 | CO | 0.9° | 4.3° |
| C27 | C29 | C32 | H22 | 1.1° | 1.1° |
| C29 | C32 | C31 | H22 | 180.0° | 179.2° |
| C29 | C32 | C31 | C30 | 0.2° | 0.4° |
| C32 | C29 | N1 | C30 | 0.1° | 0.3° |
| C32 | C29 | N1 | CO | 177.8° | 176.4° |
| C29 | C32 | C31 | H23 | 179.9° | 179.6° |
| N1 | C29 | C32 | C31 | 0.2° | 0.5° |
| C29 | N1 | C30 | C31 | 0.0° | 0.0° |
| C29 | N1 | C30 | CO | 179.2° | 178.0° |
| C29 | N1 | C30 | C36 | 178.9° | 179.2° |
| C29 | N1 | CO | N2 | 179.9° | 176.7° |
| N1 | C29 | C32 | H22 | 179.9° | 179.6° |
| C32 | C31 | C30 | H23 | 180.0° | 180.0° |
| C32 | C31 | C30 | N1 | 0.1° | 0.3° |
| C32 | C31 | C30 | C36 | 179.0° | 179.3° |
| C31 | C30 | N1 | C36 | 178.8° | 179.2° |
| C31 | C30 | N1 | CO | 179.3° | 178.0° |
| C31 | C30 | C36 | N2 | 179.3° | 177.4° |
| C31 | C30 | C36 | C35 | 1.6° | 1.3° |
| C30 | C31 | C32 | H22 | 179.9° | 179.6° |
| N1 | C30 | C36 | N2 | 0.6° | 1.6° |
| N1 | C30 | C36 | C35 | 179.7° | 179.7° |
| C30 | N1 | CO | N2 | 2.2° | 0.5° |
| N1 | C30 | C31 | H23 | 179.9° | 179.8° |
| C36 | C30 | N1 | CO | 1.9° | 1.2° |
| C30 | C36 | N2 | C35 | 179.2° | 179.0° |
| C30 | C36 | N2 | C33 | 179.7° | 179.2° |
| C30 | C36 | N2 | CO | 1.2° | 1.0° |
| C30 | C36 | C35 | C34 | 178.7° | 179.2° |
| C36 | C30 | C31 | H23 | 1.1° | 0.7° |
| C30 | C36 | C35 | H24 | 1.3° | 0.8° |
| N1 | CO | N2 | C36 | 1.9° | 0.2° |
| N1 | CO | N2 | C33 | 178.0° | 177.0° |
| C36 | N2 | C33 | CO | 175.9° | 176.7° |
| N2 | C36 | C35 | C34 | 0.5° | 0.3° |
| C36 | N2 | C33 | C34 | 1.2° | 2.6° |
| C36 | N2 | C33 | C25 | 178.0° | 177.8° |
| N2 | C36 | C35 | H24 | 179.5° | 179.7° |
| C35 | C36 | N2 | C33 | 0.4° | 1.8° |
| C35 | C36 | N2 | CO | 178.0° | 179.9° |
| C36 | C35 | C34 | H24 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 1.2° | 1.3° |
| C36 | C35 | C34 | H26 | 178.8° | 179.8° |
| N2 | C33 | C34 | C35 | 1.6° | 2.4° |
| N2 | C33 | C34 | C25 | 179.2° | 175.3° |
| N2 | C33 | C25 | C21 | 171.5° | 178.1° |
| N2 | C33 | C34 | H26 | 178.5° | 179.1° |
| CO | N2 | C33 | C34 | 174.7° | 179.3° |
| CO | N2 | C33 | C25 | 6.1° | 5.5° |
| C35 | C34 | C33 | H26 | 180.0° | 178.5° |
| C35 | C34 | C33 | C25 | 177.6° | 177.7° |
| C34 | C33 | C25 | C21 | 7.6° | 7.6° |
| C33 | C34 | C35 | H24 | 178.8° | 178.7° |
| C33 | C25 | C21 | C1 | 104.6° | 127.1° |
| C33 | C25 | C21 | C5 | 72.4° | 61.7° |
| C25 | C33 | C34 | H26 | 2.3° | 3.8° |
| C25 | C21 | C1 | C5 | 177.0° | 171.5° |
| C25 | C21 | C1 | C2 | 177.9° | 178.2° |
| C25 | C21 | C5 | C4 | 179.2° | 178.2° |
| C25 | C21 | C1 | H27 | 2.1° | 7.2° |
| C25 | C21 | C5 | H28 | 0.8° | 6.6° |
| C21 | C1 | C2 | H27 | 180.0° | 174.6° |
| C1 | C21 | C5 | C4 | 2.2° | 6.6° |
| C21 | C1 | C2 | C3 | 1.4° | 4.0° |
| C1 | C21 | C5 | H28 | 177.8° | 178.2° |
| C21 | C1 | C2 | H31 | 178.6° | 176.9° |
| C5 | C21 | C1 | C2 | 0.9° | 6.7° |
| C21 | C5 | C4 | H28 | 180.0° | 175.2° |
| C21 | C5 | C4 | C3 | 1.4° | 3.8° |
| C5 | C21 | C1 | H27 | 179.2° | 178.7° |
| C21 | C5 | C4 | H29 | 178.7° | 177.0° |
| C1 | C2 | C3 | C4 | 2.2° | 0.9° |
| C1 | C2 | C3 | H31 | 180.0° | 179.1° |
| C1 | C2 | C3 | H30 | 177.8° | 179.1° |
| C5 | C4 | C3 | H29 | 180.0° | 179.2° |
| C5 | C4 | C3 | C2 | 0.8° | 0.8° |
| C5 | C4 | C3 | H30 | 179.2° | 179.3° |
| C4 | C3 | C2 | H30 | 180.0° | 179.9° |
| C3 | C4 | C5 | H28 | 178.6° | 179.0° |
| C4 | C3 | C2 | H31 | 177.8° | 180.0° |
| C3 | C2 | C1 | H27 | 178.6° | 178.6° |
| C2 | C3 | C4 | H29 | 179.2° | 180.0° |
| H1 | C10 | C9 | H14 | 0.3° | 2.2° |
| H2 | C13 | C12 | H6 | 0.2° | 0.0° |
| H2 | C13 | C14 | H21 | 0.8° | 0.0° |
| H3 | C15 | C14 | H21 | 0.8° | 2.4° |
| H4 | C20 | C19 | H7 | 0.6° | 1.8° |
| H5 | C11 | C12 | H6 | 1.3° | 1.7° |
| H7 | C19 | C18 | H18 | 1.3° | 0.2° |
| H8 | C44 | C41 | H9 | 0.2° | 3.7° |
| H11 | C37 | C38 | H13 | 1.1° | 0.6° |
| H14 | C9 | C8 | H15 | 0.3° | 0.0° |
| H15 | C8 | C7 | H16 | 1.0° | 0.1° |
| H16 | C7 | C6 | H17 | 1.1° | 0.4° |
| H18 | C18 | C17 | H19 | 1.0° | 0.0° |
| H19 | C17 | C16 | H20 | 0.0° | 0.3° |
| H22 | C32 | C31 | H23 | 0.1° | 0.4° |
| H24 | C35 | C34 | H26 | 1.2° | 0.2° |
| H27 | C1 | C2 | H31 | 1.4° | 2.3° |
| H28 | C5 | C4 | H29 | 1.3° | 1.9° |
| H29 | C4 | C3 | H30 | 0.9° | 0.1° |
| H30 | C3 | C2 | H31 | 2.2° | 0.1° |
