IM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C26 | doub | 1.22Å | 1.23Å | |
| O1 | C31 | doub | 1.22Å | 1.30Å | |
| C29 | C28 | doub | 1.37Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.37Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.47Å | 1.50Å | |
| C26 | N7 | sing | 1.35Å | 1.35Å | |
| C31 | C30 | sing | 1.47Å | 1.49Å | |
| C31 | O2 | sing | 1.35Å | 1.22Å | |
| O8 | C21 | doub | 1.22Å | 1.23Å | |
| C30 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | N7 | sing | 1.40Å | 1.42Å | |
| C27 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C35 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | O3 | sing | 1.36Å | 1.36Å | |
| C33 | O4 | sing | 1.36Å | 1.38Å | |
| C21 | N6 | sing | 1.35Å | 1.36Å | |
| C21 | C20 | sing | 1.48Å | 1.50Å | |
| C22 | N6 | sing | 1.40Å | 1.42Å | |
| C22 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | O6 | sing | 1.36Å | 1.36Å | |
| C34 | O4 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | O7 | sing | 1.36Å | 1.38Å | |
| C20 | N9 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| O7 | C37 | sing | 1.43Å | 1.44Å | |
| N9 | C39 | doub | 1.31Å | 1.34Å | Aromatic |
| O9 | C16 | doub | 1.21Å | 1.23Å | |
| C17 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N5 | sing | 1.39Å | 1.41Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C16 | N5 | sing | 1.35Å | 1.35Å | |
| C16 | C12 | sing | 1.51Å | 1.53Å | |
| C38 | N8 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C12 | N1 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | doub | 1.35Å | 1.36Å | Aromatic |
| C14 | N4 | sing | 1.34Å | 1.36Å | Aromatic |
| C15 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| N4 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| N2 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| O10 | C11 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | sing | 1.48Å | 1.50Å | |
| C10 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.39Å | 1.42Å | |
| N | C6 | sing | 1.35Å | 1.36Å | |
| O11 | C6 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | C42 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C42 | C43 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C43 | C44 | doub | 1.41Å | 1.41Å | Aromatic |
| C3 | C44 | sing | 1.42Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C44 | C45 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.36Å | Aromatic |
| C45 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.40Å | 1.39Å | Aromatic |
| C | O | sing | 1.36Å | 1.36Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| O | H16 | sing | 0.97Å | 0.95Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.08Å | 1.08Å | |
| C40 | H27 | sing | 1.08Å | 1.08Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| C42 | H29 | sing | 1.08Å | 1.08Å | |
| C43 | H30 | sing | 1.08Å | 1.08Å | |
| C45 | H31 | sing | 1.08Å | 1.08Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| N6 | H34 | sing | 0.97Å | 1.00Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| N8 | H36 | sing | 1.01Å | 1.00Å | |
| N8 | H37 | sing | 1.01Å | 1.00Å | |
| O2 | H39 | sing | 0.97Å | 0.95Å | |
| O3 | H40 | sing | 0.97Å | 0.95Å | |
| O6 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C26 | C25 | 120.9° | 120.0° |
| O5 | C26 | N7 | 123.9° | 120.0° |
| O1 | C31 | C30 | 114.7° | 120.0° |
| O1 | C31 | O2 | 123.4° | 120.0° |
| C28 | C29 | C30 | 120.9° | 120.2° |
| C29 | C28 | C27 | 120.2° | 120.4° |
| C29 | C28 | H14 | 119.9° | 119.8° |
| C28 | C29 | H15 | 119.6° | 119.9° |
| C29 | C30 | C31 | 120.7° | 120.1° |
| C29 | C30 | C32 | 119.2° | 119.8° |
| C30 | C29 | H15 | 119.5° | 119.9° |
| C28 | C27 | N7 | 123.3° | 119.9° |
| C28 | C27 | C33 | 119.6° | 120.3° |
| C27 | C28 | H14 | 119.9° | 119.8° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C24 | C23 | C22 | 120.3° | 120.3° |
| C24 | C23 | H12 | 119.9° | 119.9° |
| C23 | C24 | H13 | 119.5° | 119.9° |
| C24 | C25 | C26 | 119.5° | 120.1° |
| C24 | C25 | C35 | 119.1° | 119.8° |
| C25 | C24 | H13 | 119.6° | 120.0° |
| C25 | C26 | N7 | 115.2° | 120.0° |
| C26 | C25 | C35 | 121.4° | 120.1° |
| C26 | N7 | C27 | 129.3° | 120.0° |
| C26 | N7 | H35 | 115.4° | 120.0° |
| C30 | C31 | O2 | 121.9° | 120.0° |
| C31 | C30 | C32 | 120.1° | 120.1° |
| C31 | O2 | H39 | 109.5° | 117.0° |
| O8 | C21 | N6 | 124.4° | 120.0° |
| O8 | C21 | C20 | 121.2° | 120.0° |
| C30 | C32 | C33 | 119.7° | 119.6° |
| C30 | C32 | O3 | 120.8° | 120.2° |
| C23 | C22 | N6 | 122.9° | 119.9° |
| C23 | C22 | C36 | 119.6° | 120.2° |
| C22 | C23 | H12 | 119.8° | 119.9° |
| N7 | C27 | C33 | 117.1° | 119.9° |
| C27 | N7 | H35 | 115.3° | 120.0° |
| C27 | C33 | C32 | 120.4° | 119.8° |
| C27 | C33 | O4 | 117.7° | 120.1° |
| C25 | C35 | C36 | 119.9° | 119.7° |
| C25 | C35 | O6 | 120.2° | 120.2° |
| C33 | C32 | O3 | 119.4° | 120.2° |
| C32 | C33 | O4 | 119.3° | 120.1° |
| C32 | O3 | H40 | 109.5° | 114.0° |
| C33 | O4 | C34 | 114.7° | 117.0° |
| N6 | C21 | C20 | 114.4° | 120.1° |
| C21 | N6 | C22 | 127.7° | 120.0° |
| C21 | N6 | H34 | 116.1° | 119.9° |
| C21 | C20 | C19 | 119.5° | 119.6° |
| C21 | C20 | N9 | 117.6° | 119.6° |
| N6 | C22 | C36 | 117.4° | 119.9° |
| C22 | N6 | H34 | 116.1° | 120.0° |
| C22 | C36 | C35 | 120.2° | 119.9° |
| C22 | C36 | O7 | 119.2° | 120.0° |
| C36 | C35 | O6 | 119.9° | 120.1° |
| C35 | C36 | O7 | 120.6° | 120.0° |
| C35 | O6 | H41 | 109.5° | 114.0° |
| O4 | C34 | H19 | 109.5° | 109.4° |
| O4 | C34 | H20 | 109.4° | 109.5° |
| O4 | C34 | H21 | 109.4° | 109.5° |
| C20 | C19 | C18 | 118.4° | 119.1° |
| C19 | C20 | N9 | 122.9° | 120.8° |
| C20 | C19 | H11 | 120.8° | 120.4° |
| C19 | C18 | C17 | 119.9° | 118.4° |
| C19 | C18 | H10 | 120.0° | 120.8° |
| C18 | C19 | H11 | 120.8° | 120.4° |
| C36 | O7 | C37 | 116.4° | 117.0° |
| C20 | N9 | C39 | 117.4° | 121.7° |
| C18 | C17 | C39 | 117.3° | 119.2° |
| C18 | C17 | N5 | 120.3° | 120.4° |
| C17 | C18 | H10 | 120.0° | 120.8° |
| O7 | C37 | C38 | 108.3° | 109.5° |
| O7 | C37 | H22 | 109.8° | 109.5° |
| O7 | C37 | H23 | 109.8° | 109.5° |
| N9 | C39 | C17 | 124.1° | 120.8° |
| N9 | C39 | H26 | 117.9° | 119.6° |
| O9 | C16 | N5 | 124.1° | 120.0° |
| O9 | C16 | C12 | 120.5° | 120.0° |
| C39 | C17 | N5 | 122.4° | 120.4° |
| C17 | C39 | H26 | 118.0° | 119.6° |
| C17 | N5 | C16 | 126.6° | 120.0° |
| C17 | N5 | H33 | 116.7° | 120.0° |
| C37 | C38 | N8 | 107.1° | 109.5° |
| C38 | C37 | H22 | 109.7° | 109.5° |
| C38 | C37 | H23 | 109.8° | 109.5° |
| C37 | C38 | H24 | 110.1° | 109.5° |
| C37 | C38 | H25 | 110.0° | 109.5° |
| N5 | C16 | C12 | 115.4° | 120.0° |
| C16 | N5 | H33 | 116.7° | 120.0° |
| C16 | C12 | C13 | 109.8° | 109.5° |
| C16 | C12 | N1 | 112.1° | 109.5° |
| C16 | C12 | H6 | 107.7° | 109.5° |
| N8 | C38 | H24 | 110.1° | 109.4° |
| N8 | C38 | H25 | 110.1° | 109.5° |
| C38 | N8 | H36 | 109.5° | 111.0° |
| C38 | N8 | H37 | 109.5° | 111.0° |
| C12 | C13 | C14 | 114.5° | 109.5° |
| C13 | C12 | N1 | 110.9° | 109.5° |
| C13 | C12 | H6 | 107.6° | 109.5° |
| C12 | C13 | H17 | 108.2° | 109.5° |
| C12 | C13 | H18 | 108.2° | 109.5° |
| C13 | C14 | C15 | 129.7° | 126.7° |
| C13 | C14 | N4 | 122.6° | 126.8° |
| C14 | C13 | H17 | 108.2° | 109.5° |
| C14 | C13 | H18 | 108.2° | 109.4° |
| C12 | N1 | C11 | 121.6° | 120.0° |
| N1 | C12 | H6 | 108.6° | 109.5° |
| C12 | N1 | H9 | 119.2° | 120.0° |
| C15 | C14 | N4 | 107.7° | 106.5° |
| C14 | C15 | N2 | 105.3° | 106.1° |
| C14 | C15 | H8 | 127.4° | 127.0° |
| C14 | N4 | N3 | 109.4° | 108.9° |
| C15 | N2 | N3 | 111.2° | 108.3° |
| N2 | C15 | H8 | 127.3° | 126.9° |
| C15 | N2 | H32 | 124.4° | 125.8° |
| N4 | N3 | N2 | 106.4° | 110.2° |
| N1 | C11 | O10 | 122.3° | 120.0° |
| N1 | C11 | C10 | 116.8° | 120.0° |
| C11 | N1 | H9 | 119.2° | 120.0° |
| N3 | N2 | H32 | 124.4° | 125.9° |
| O10 | C11 | C10 | 120.9° | 120.0° |
| C11 | C10 | C40 | 119.8° | 120.1° |
| C11 | C10 | C9 | 121.6° | 120.1° |
| C40 | C10 | C9 | 118.7° | 119.8° |
| C10 | C40 | C41 | 120.8° | 120.0° |
| C10 | C40 | H27 | 119.6° | 120.0° |
| C10 | C9 | C8 | 120.7° | 119.9° |
| C10 | C9 | H5 | 119.6° | 120.0° |
| C40 | C41 | C7 | 120.5° | 120.1° |
| C41 | C40 | H27 | 119.6° | 120.0° |
| C40 | C41 | H28 | 119.7° | 120.0° |
| C9 | C8 | C7 | 120.4° | 120.0° |
| C9 | C8 | H4 | 119.8° | 120.0° |
| C8 | C9 | H5 | 119.6° | 120.1° |
| C41 | C7 | C8 | 119.0° | 120.2° |
| C41 | C7 | N | 123.2° | 119.9° |
| C7 | C41 | H28 | 119.8° | 120.0° |
| C8 | C7 | N | 117.8° | 119.9° |
| C7 | C8 | H4 | 119.8° | 120.0° |
| C7 | N | C6 | 128.8° | 120.0° |
| C7 | N | H7 | 115.6° | 119.9° |
| N | C6 | O11 | 123.9° | 120.0° |
| N | C6 | C5 | 115.5° | 120.0° |
| C6 | N | H7 | 115.6° | 120.0° |
| O11 | C6 | C5 | 120.5° | 120.0° |
| C6 | C5 | C42 | 118.8° | 119.8° |
| C6 | C5 | C4 | 121.8° | 119.7° |
| C42 | C5 | C4 | 119.5° | 120.5° |
| C5 | C42 | C43 | 120.9° | 120.9° |
| C5 | C42 | H29 | 119.6° | 119.6° |
| C5 | C4 | C3 | 121.2° | 119.5° |
| C5 | C4 | H3 | 119.4° | 120.3° |
| C42 | C43 | C44 | 121.0° | 120.0° |
| C43 | C42 | H29 | 119.5° | 119.6° |
| C42 | C43 | H30 | 119.5° | 120.0° |
| C4 | C3 | C44 | 118.9° | 119.5° |
| C4 | C3 | C2 | 122.6° | 121.0° |
| C3 | C4 | H3 | 119.4° | 120.2° |
| C43 | C44 | C3 | 118.5° | 119.7° |
| C43 | C44 | C45 | 122.4° | 120.9° |
| C44 | C43 | H30 | 119.5° | 120.0° |
| C44 | C3 | C2 | 118.5° | 119.5° |
| C3 | C44 | C45 | 119.1° | 119.4° |
| C3 | C2 | C1 | 121.0° | 119.9° |
| C3 | C2 | H2 | 119.5° | 120.0° |
| C44 | C45 | C | 120.4° | 119.6° |
| C44 | C45 | H31 | 119.8° | 120.2° |
| C2 | C1 | C | 120.4° | 120.9° |
| C2 | C1 | H1 | 119.8° | 119.5° |
| C1 | C2 | H2 | 119.5° | 120.1° |
| C45 | C | C1 | 120.6° | 120.7° |
| C45 | C | O | 120.5° | 119.7° |
| C | C45 | H31 | 119.8° | 120.2° |
| C1 | C | O | 119.0° | 119.6° |
| C | C1 | H1 | 119.8° | 119.6° |
| C | O | H16 | 109.5° | 113.9° |
| H17 | C13 | H18 | 109.5° | 109.4° |
| H19 | C34 | H20 | 109.5° | 109.4° |
| H19 | C34 | H21 | 109.5° | 109.5° |
| H20 | C34 | H21 | 109.5° | 109.5° |
| H22 | C37 | H23 | 109.5° | 109.5° |
| H24 | C38 | H25 | 109.5° | 109.5° |
| H36 | N8 | H37 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C26 | C25 | C24 | 2.0° | 180.0° |
| O5 | C26 | C25 | N7 | 178.7° | 179.9° |
| O5 | C26 | N7 | C27 | 1.6° | 5.5° |
| O5 | C26 | C25 | C35 | 178.8° | 0.0° |
| O5 | C26 | N7 | H35 | 178.4° | 174.5° |
| O1 | C31 | C30 | C29 | 10.1° | 180.0° |
| O1 | C31 | C30 | O2 | 179.8° | 180.0° |
| O1 | C31 | C30 | C32 | 170.5° | 0.1° |
| O1 | C31 | O2 | H39 | 0.0° | 0.0° |
| C28 | C29 | C30 | H15 | 180.0° | 180.0° |
| C29 | C28 | C27 | H14 | 180.0° | 179.7° |
| C28 | C29 | C30 | C31 | 178.7° | 180.0° |
| C28 | C29 | C30 | C32 | 0.6° | 0.0° |
| C29 | C28 | C27 | N7 | 176.1° | 179.7° |
| C29 | C28 | C27 | C33 | 0.9° | 0.3° |
| C30 | C29 | C28 | C27 | 0.0° | 0.0° |
| C29 | C30 | C31 | C32 | 179.4° | 179.9° |
| C29 | C30 | C31 | O2 | 169.7° | 0.0° |
| C29 | C30 | C32 | C33 | 0.3° | 0.3° |
| C29 | C30 | C32 | O3 | 180.0° | 180.0° |
| C30 | C29 | C28 | H14 | 179.9° | 179.7° |
| C28 | C27 | N7 | C26 | 20.7° | 34.4° |
| C28 | C27 | N7 | C33 | 177.1° | 180.0° |
| C28 | C27 | C33 | C32 | 1.2° | 0.5° |
| C28 | C27 | C33 | O4 | 162.9° | 180.0° |
| C27 | C28 | C29 | H15 | 180.0° | 180.0° |
| C28 | C27 | N7 | H35 | 159.3° | 145.6° |
| C23 | C24 | C25 | H13 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 178.6° | 180.0° |
| C24 | C23 | C22 | H12 | 180.0° | 179.7° |
| C23 | C24 | C25 | C35 | 0.7° | 0.0° |
| C24 | C23 | C22 | N6 | 177.5° | 179.7° |
| C24 | C23 | C22 | C36 | 0.6° | 0.2° |
| C24 | C25 | C26 | C35 | 179.2° | 180.0° |
| C24 | C25 | C26 | N7 | 176.8° | 0.1° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C25 | C35 | C36 | 0.3° | 0.2° |
| C24 | C25 | C35 | O6 | 179.3° | 180.0° |
| C25 | C24 | C23 | H12 | 179.8° | 179.7° |
| C25 | C26 | N7 | C27 | 177.1° | 174.6° |
| C26 | C25 | C35 | C36 | 178.9° | 179.8° |
| C26 | C25 | C35 | O6 | 1.5° | 0.0° |
| C26 | C25 | C24 | H13 | 1.4° | 0.0° |
| C25 | C26 | N7 | H35 | 2.9° | 5.5° |
| C26 | N7 | C27 | H35 | 180.0° | 180.0° |
| C26 | N7 | C27 | C33 | 162.2° | 145.6° |
| N7 | C26 | C25 | C35 | 2.5° | 180.0° |
| C31 | C30 | C32 | C33 | 179.0° | 179.7° |
| C31 | C30 | C32 | O3 | 0.6° | 0.1° |
| C31 | C30 | C29 | H15 | 1.3° | 0.1° |
| C30 | C31 | O2 | H39 | 179.8° | 180.0° |
| O2 | C31 | C30 | C32 | 9.7° | 179.9° |
| O8 | C21 | N6 | C20 | 178.8° | 179.9° |
| O8 | C21 | N6 | C22 | 1.5° | 5.4° |
| O8 | C21 | C20 | C19 | 11.5° | 0.1° |
| O8 | C21 | C20 | N9 | 168.4° | 180.0° |
| O8 | C21 | N6 | H34 | 178.5° | 174.5° |
| C30 | C32 | C33 | C27 | 0.6° | 0.6° |
| C30 | C32 | C33 | O3 | 179.7° | 179.7° |
| C30 | C32 | C33 | O4 | 162.0° | 180.0° |
| C32 | C30 | C29 | H15 | 179.4° | 180.0° |
| C30 | C32 | O3 | H40 | 180.0° | 90.0° |
| C23 | C22 | N6 | C21 | 29.9° | 34.5° |
| C23 | C22 | N6 | C36 | 178.2° | 179.9° |
| C23 | C22 | C36 | C35 | 1.0° | 0.5° |
| C23 | C22 | C36 | O7 | 177.1° | 180.0° |
| C22 | C23 | C24 | H13 | 179.8° | 180.0° |
| C23 | C22 | N6 | H34 | 150.1° | 145.6° |
| N7 | C27 | C33 | C32 | 176.0° | 179.4° |
| N7 | C27 | C33 | O4 | 14.3° | 0.0° |
| N7 | C27 | C28 | H14 | 3.8° | 0.0° |
| C27 | C33 | C32 | O4 | 161.5° | 179.4° |
| C27 | C33 | C32 | O3 | 179.1° | 179.8° |
| C27 | C33 | O4 | C34 | 121.3° | 90.0° |
| C33 | C27 | C28 | H14 | 179.2° | 180.0° |
| C33 | C27 | N7 | H35 | 17.8° | 34.4° |
| C25 | C35 | C36 | C22 | 0.5° | 0.5° |
| C25 | C35 | C36 | O6 | 179.6° | 179.8° |
| C25 | C35 | C36 | O7 | 177.6° | 180.0° |
| C35 | C25 | C24 | H13 | 179.3° | 180.0° |
| C25 | C35 | O6 | H41 | 180.0° | 89.9° |
| C32 | C33 | O4 | C34 | 76.7° | 90.5° |
| C33 | C32 | O3 | H40 | 0.3° | 90.4° |
| O3 | C32 | C33 | O4 | 17.6° | 0.3° |
| C33 | O4 | C34 | H19 | 180.0° | 180.0° |
| C33 | O4 | C34 | H20 | 60.0° | 60.1° |
| C33 | O4 | C34 | H21 | 60.0° | 60.0° |
| C21 | N6 | C22 | H34 | 180.0° | 179.9° |
| C21 | N6 | C22 | C36 | 151.9° | 145.6° |
| N6 | C21 | C20 | C19 | 167.3° | 180.0° |
| N6 | C21 | C20 | N9 | 12.7° | 0.1° |
| C20 | C21 | N6 | C22 | 177.3° | 174.6° |
| C21 | C20 | C19 | N9 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 179.9° | 180.0° |
| C21 | C20 | N9 | C39 | 180.0° | 179.9° |
| C21 | C20 | C19 | H11 | 0.0° | 0.1° |
| C20 | C21 | N6 | H34 | 2.7° | 5.5° |
| N6 | C22 | C36 | C35 | 177.3° | 179.5° |
| N6 | C22 | C36 | O7 | 4.7° | 0.1° |
| N6 | C22 | C23 | H12 | 2.5° | 0.0° |
| C22 | C36 | C35 | O7 | 178.1° | 179.5° |
| C22 | C36 | C35 | O6 | 179.9° | 179.8° |
| C22 | C36 | O7 | C37 | 121.4° | 90.0° |
| C36 | C22 | C23 | H12 | 179.4° | 179.9° |
| C36 | C22 | N6 | H34 | 28.1° | 34.3° |
| C35 | C36 | O7 | C37 | 60.5° | 90.5° |
| C36 | C35 | O6 | H41 | 0.4° | 90.3° |
| O6 | C35 | C36 | O7 | 2.0° | 0.2° |
| O4 | C34 | H19 | H20 | 120.0° | 120.0° |
| O4 | C34 | H19 | H21 | 120.0° | 120.1° |
| O4 | C34 | H20 | H21 | 120.0° | 120.1° |
| C20 | C19 | C18 | H11 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.0° | 0.1° |
| C19 | C20 | N9 | C39 | 0.0° | 0.1° |
| C20 | C19 | C18 | H10 | 180.0° | 180.0° |
| C18 | C19 | C20 | N9 | 0.0° | 0.1° |
| C19 | C18 | C17 | H10 | 180.0° | 179.9° |
| C19 | C18 | C17 | C39 | 0.1° | 0.1° |
| C19 | C18 | C17 | N5 | 179.3° | 179.7° |
| C36 | O7 | C37 | C38 | 49.6° | 180.0° |
| C36 | O7 | C37 | H22 | 70.2° | 60.0° |
| C36 | O7 | C37 | H23 | 169.5° | 60.0° |
| C20 | N9 | C39 | C17 | 0.0° | 0.2° |
| N9 | C20 | C19 | H11 | 180.0° | 180.0° |
| C20 | N9 | C39 | H26 | 179.9° | 179.8° |
| C18 | C17 | C39 | N9 | 0.1° | 0.1° |
| C18 | C17 | C39 | N5 | 179.3° | 179.8° |
| C18 | C17 | N5 | C16 | 66.8° | 26.1° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C18 | C17 | C39 | H26 | 179.9° | 179.8° |
| C18 | C17 | N5 | H33 | 113.2° | 153.8° |
| O7 | C37 | C38 | H22 | 119.8° | 120.0° |
| O7 | C37 | C38 | H23 | 119.8° | 120.0° |
| O7 | C37 | C38 | N8 | 176.6° | 65.0° |
| O7 | C37 | H22 | H23 | 120.5° | 120.0° |
| O7 | C37 | C38 | H24 | 63.8° | 175.0° |
| O7 | C37 | C38 | H25 | 57.0° | 55.0° |
| N9 | C39 | C17 | H26 | 180.0° | 179.7° |
| N9 | C39 | C17 | N5 | 179.2° | 179.7° |
| O9 | C16 | N5 | C17 | 1.0° | 5.9° |
| O9 | C16 | N5 | C12 | 178.7° | 180.0° |
| O9 | C16 | C12 | C13 | 1.9° | 120.0° |
| O9 | C16 | C12 | N1 | 125.6° | 0.0° |
| O9 | C16 | C12 | H6 | 115.0° | 120.0° |
| O9 | C16 | N5 | H33 | 179.0° | 174.2° |
| C39 | C17 | N5 | C16 | 112.5° | 154.0° |
| C39 | C17 | C18 | H10 | 179.9° | 180.0° |
| C39 | C17 | N5 | H33 | 67.5° | 26.0° |
| C17 | N5 | C16 | H33 | 180.0° | 179.9° |
| C17 | N5 | C16 | C12 | 177.6° | 174.1° |
| N5 | C17 | C18 | H10 | 0.7° | 0.2° |
| N5 | C17 | C39 | H26 | 0.8° | 0.0° |
| C37 | C38 | N8 | H24 | 119.6° | 120.0° |
| C37 | C38 | N8 | H25 | 119.6° | 120.0° |
| C38 | C37 | H22 | H23 | 120.5° | 120.0° |
| C37 | C38 | H24 | H25 | 121.1° | 120.0° |
| C37 | C38 | N8 | H36 | 180.0° | 56.0° |
| C37 | C38 | N8 | H37 | 60.0° | 180.0° |
| N5 | C16 | C12 | C13 | 179.3° | 60.0° |
| N5 | C16 | C12 | N1 | 55.6° | 180.0° |
| N5 | C16 | C12 | H6 | 63.8° | 60.0° |
| C16 | C12 | C13 | N1 | 124.4° | 120.0° |
| C16 | C12 | C13 | H6 | 116.9° | 120.0° |
| C16 | C12 | C13 | C14 | 174.0° | 174.9° |
| C16 | C12 | N1 | H6 | 118.9° | 120.0° |
| C16 | C12 | N1 | C11 | 139.9° | 155.0° |
| C16 | C12 | N1 | H9 | 40.1° | 25.0° |
| C16 | C12 | C13 | H17 | 65.3° | 65.0° |
| C16 | C12 | C13 | H18 | 53.2° | 55.0° |
| C12 | C16 | N5 | H33 | 2.4° | 5.8° |
| N8 | C38 | C37 | H22 | 56.8° | 175.0° |
| N8 | C38 | C37 | H23 | 63.6° | 55.0° |
| N8 | C38 | H24 | H25 | 121.1° | 120.0° |
| C38 | N8 | H36 | H37 | 120.0° | 124.0° |
| C12 | C13 | C14 | H17 | 120.7° | 120.1° |
| C12 | C13 | C14 | H18 | 120.8° | 120.0° |
| C13 | C12 | N1 | H6 | 118.1° | 120.0° |
| C12 | C13 | C14 | C15 | 52.8° | 125.0° |
| C12 | C13 | C14 | N4 | 127.1° | 54.7° |
| C13 | C12 | N1 | C11 | 97.0° | 85.0° |
| C13 | C12 | N1 | H9 | 83.0° | 95.0° |
| C12 | C13 | H17 | H18 | 117.7° | 120.0° |
| C14 | C13 | C12 | N1 | 61.6° | 65.0° |
| C13 | C14 | C15 | N4 | 179.9° | 179.7° |
| C13 | C14 | C15 | N2 | 179.8° | 179.7° |
| C13 | C14 | N4 | N3 | 179.9° | 179.7° |
| C14 | C13 | C12 | H6 | 57.1° | 55.0° |
| C13 | C14 | C15 | H8 | 0.2° | 0.3° |
| C14 | C13 | H17 | H18 | 117.7° | 120.0° |
| C12 | N1 | C11 | H9 | 180.0° | 180.0° |
| C12 | N1 | C11 | O10 | 8.3° | 0.0° |
| C12 | N1 | C11 | C10 | 172.1° | 179.9° |
| N1 | C12 | C13 | H17 | 59.1° | 55.0° |
| N1 | C12 | C13 | H18 | 177.7° | 175.0° |
| C14 | C15 | N2 | H8 | 180.0° | 180.0° |
| C15 | C14 | N4 | N3 | 0.0° | 0.0° |
| C14 | C15 | N2 | N3 | 0.1° | 0.0° |
| C15 | C14 | C13 | H17 | 173.5° | 4.9° |
| C15 | C14 | C13 | H18 | 68.0° | 115.0° |
| C14 | C15 | N2 | H32 | 179.9° | 180.0° |
| N4 | C14 | C15 | N2 | 0.1° | 0.0° |
| C14 | N4 | N3 | N2 | 0.1° | 0.0° |
| N4 | C14 | C15 | H8 | 179.9° | 180.0° |
| N4 | C14 | C13 | H17 | 6.4° | 174.7° |
| N4 | C14 | C13 | H18 | 112.1° | 65.3° |
| C15 | N2 | N3 | N4 | 0.1° | 0.0° |
| C15 | N2 | N3 | H32 | 180.0° | 179.9° |
| N4 | N3 | N2 | H32 | 179.9° | 179.9° |
| N1 | C11 | O10 | C10 | 179.6° | 179.9° |
| N1 | C11 | C10 | C40 | 103.4° | 180.0° |
| N1 | C11 | C10 | C9 | 76.3° | 0.2° |
| C11 | N1 | C12 | H6 | 21.1° | 35.0° |
| N3 | N2 | C15 | H8 | 179.9° | 180.0° |
| O10 | C11 | C10 | C40 | 76.2° | 0.1° |
| O10 | C11 | C10 | C9 | 104.1° | 179.7° |
| O10 | C11 | N1 | H9 | 171.7° | 180.0° |
| C11 | C10 | C40 | C9 | 179.7° | 179.8° |
| C11 | C10 | C40 | C41 | 179.2° | 180.0° |
| C11 | C10 | C9 | C8 | 179.3° | 179.7° |
| C11 | C10 | C9 | H5 | 0.7° | 0.3° |
| C10 | C11 | N1 | H9 | 7.9° | 0.1° |
| C11 | C10 | C40 | H27 | 0.8° | 0.3° |
| C10 | C40 | C41 | H27 | 180.0° | 179.7° |
| C40 | C10 | C9 | C8 | 0.5° | 0.1° |
| C10 | C40 | C41 | C7 | 0.0° | 0.6° |
| C40 | C10 | C9 | H5 | 179.6° | 180.0° |
| C10 | C40 | C41 | H28 | 180.0° | 179.9° |
| C9 | C10 | C40 | C41 | 0.5° | 0.3° |
| C10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C10 | C9 | C8 | H4 | 179.9° | 180.0° |
| C9 | C10 | C40 | H27 | 179.5° | 179.9° |
| C40 | C41 | C7 | H28 | 180.0° | 179.3° |
| C40 | C41 | C7 | C8 | 0.6° | 0.6° |
| C40 | C41 | C7 | N | 177.6° | 179.8° |
| C9 | C8 | C7 | C41 | 0.6° | 0.3° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | N | 177.6° | 179.9° |
| C41 | C7 | C8 | N | 178.3° | 179.6° |
| C41 | C7 | N | C6 | 1.4° | 144.5° |
| C41 | C7 | C8 | H4 | 179.4° | 179.7° |
| C41 | C7 | N | H7 | 178.6° | 35.5° |
| C7 | C41 | C40 | H27 | 180.0° | 179.7° |
| C8 | C7 | N | C6 | 176.7° | 35.1° |
| C7 | C8 | C9 | H5 | 179.8° | 180.0° |
| C8 | C7 | N | H7 | 3.3° | 144.8° |
| C8 | C7 | C41 | H28 | 179.5° | 179.9° |
| C7 | N | C6 | H7 | 180.0° | 180.0° |
| C7 | N | C6 | O11 | 0.1° | 4.6° |
| C7 | N | C6 | C5 | 179.2° | 175.5° |
| N | C7 | C8 | H4 | 2.4° | 0.1° |
| N | C7 | C41 | H28 | 2.4° | 0.5° |
| N | C6 | O11 | C5 | 179.3° | 179.9° |
| N | C6 | C5 | C42 | 157.0° | 0.0° |
| N | C6 | C5 | C4 | 23.9° | 180.0° |
| O11 | C6 | C5 | C42 | 22.4° | 180.0° |
| O11 | C6 | C5 | C4 | 156.7° | 0.0° |
| O11 | C6 | N | H7 | 179.9° | 175.4° |
| C6 | C5 | C42 | C4 | 179.0° | 180.0° |
| C6 | C5 | C42 | C43 | 178.7° | 180.0° |
| C6 | C5 | C4 | C3 | 178.6° | 180.0° |
| C6 | C5 | C4 | H3 | 1.4° | 0.0° |
| C5 | C6 | N | H7 | 0.8° | 4.6° |
| C6 | C5 | C42 | H29 | 1.2° | 0.0° |
| C5 | C42 | C43 | H29 | 180.0° | 180.0° |
| C42 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | C42 | C43 | C44 | 0.0° | 0.1° |
| C42 | C5 | C4 | H3 | 179.6° | 180.0° |
| C5 | C42 | C43 | H30 | 180.0° | 180.0° |
| C4 | C5 | C42 | C43 | 0.3° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C44 | 0.2° | 0.0° |
| C5 | C4 | C3 | C2 | 179.8° | 179.7° |
| C4 | C5 | C42 | H29 | 179.7° | 180.0° |
| C42 | C43 | C44 | H30 | 180.0° | 179.9° |
| C42 | C43 | C44 | C3 | 0.1° | 0.1° |
| C42 | C43 | C44 | C45 | 179.9° | 180.0° |
| C4 | C3 | C44 | C43 | 0.0° | 0.1° |
| C4 | C3 | C44 | C2 | 180.0° | 179.6° |
| C4 | C3 | C44 | C45 | 179.9° | 180.0° |
| C4 | C3 | C2 | C1 | 179.8° | 179.7° |
| C4 | C3 | C2 | H2 | 0.2° | 0.4° |
| C43 | C44 | C3 | C45 | 179.8° | 179.9° |
| C43 | C44 | C3 | C2 | 179.9° | 179.7° |
| C43 | C44 | C45 | C | 179.8° | 179.5° |
| C44 | C43 | C42 | H29 | 180.0° | 179.9° |
| C43 | C44 | C45 | H31 | 0.2° | 0.0° |
| C44 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C44 | C45 | C | 0.0° | 0.6° |
| C44 | C3 | C2 | H2 | 179.9° | 180.0° |
| C44 | C3 | C4 | H3 | 179.7° | 180.0° |
| C3 | C44 | C43 | H30 | 179.9° | 180.0° |
| C3 | C44 | C45 | H31 | 180.0° | 179.9° |
| C2 | C3 | C44 | C45 | 0.1° | 0.4° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C2 | C3 | C4 | H3 | 0.2° | 0.3° |
| C44 | C45 | C | H31 | 180.0° | 179.5° |
| C44 | C45 | C | C1 | 0.2° | 0.5° |
| C44 | C45 | C | O | 179.3° | 179.7° |
| C45 | C44 | C43 | H30 | 0.1° | 0.0° |
| C2 | C1 | C | C45 | 0.2° | 0.2° |
| C2 | C1 | C | H1 | 180.0° | 180.0° |
| C2 | C1 | C | O | 179.4° | 180.0° |
| C45 | C | C1 | O | 179.5° | 179.8° |
| C45 | C | C1 | H1 | 179.8° | 179.7° |
| C45 | C | O | H16 | 180.0° | 89.7° |
| C | C1 | C2 | H2 | 180.0° | 179.9° |
| C1 | C | O | H16 | 0.5° | 90.0° |
| C1 | C | C45 | H31 | 179.9° | 180.0° |
| O | C | C1 | H1 | 0.7° | 0.0° |
| O | C | C45 | H31 | 0.6° | 0.2° |
| H1 | C1 | C2 | H2 | 0.1° | 0.1° |
| H4 | C8 | C9 | H5 | 0.1° | 0.0° |
| H6 | C12 | N1 | H9 | 159.0° | 145.0° |
| H6 | C12 | C13 | H17 | 177.8° | 175.0° |
| H6 | C12 | C13 | H18 | 63.7° | 65.0° |
| H8 | C15 | N2 | H32 | 0.1° | 0.0° |
| H10 | C18 | C19 | H11 | 0.0° | 0.1° |
| H12 | C23 | C24 | H13 | 0.2° | 0.3° |
| H14 | C28 | C29 | H15 | 0.1° | 0.3° |
| H19 | C34 | H20 | H21 | 120.0° | 120.0° |
| H22 | C37 | C38 | H24 | 176.4° | 55.0° |
| H22 | C37 | C38 | H25 | 62.8° | 65.0° |
| H23 | C37 | C38 | H24 | 56.0° | 65.0° |
| H23 | C37 | C38 | H25 | 176.8° | 175.0° |
| H24 | C38 | N8 | H36 | 60.4° | 64.0° |
| H24 | C38 | N8 | H37 | 179.6° | 60.0° |
| H25 | C38 | N8 | H36 | 60.4° | 176.1° |
| H25 | C38 | N8 | H37 | 59.6° | 60.0° |
| H27 | C40 | C41 | H28 | 0.0° | 0.4° |
| H29 | C42 | C43 | H30 | 0.0° | 0.0° |
