6M5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.50Å | 1.53Å | |
| C23 | C24 | sing | 1.50Å | 1.51Å | |
| C20 | C19 | sing | 1.54Å | 1.55Å | |
| N1 | N2 | doub | 1.29Å | 1.30Å | Aromatic |
| N1 | N | sing | 1.28Å | 1.36Å | Aromatic |
| N2 | N3 | sing | 1.41Å | 1.35Å | Aromatic |
| N3 | C13 | sing | 1.36Å | 1.34Å | Aromatic |
| N | C13 | doub | 1.32Å | 1.32Å | Aromatic |
| O3 | C26 | doub | 1.21Å | 1.22Å | |
| C19 | C25 | sing | 1.45Å | 1.53Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.54Å | 1.52Å | |
| C13 | C10 | sing | 1.48Å | 1.46Å | |
| C26 | N5 | sing | 1.35Å | 1.38Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.39Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.52Å | 1.54Å | |
| C27 | C32 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.50Å | 1.51Å | |
| C7 | O2 | sing | 1.36Å | 1.37Å | |
| N4 | C18 | doub | 1.30Å | 1.29Å | |
| O2 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | doub | 1.29Å | 1.34Å | |
| C18 | C32 | sing | 1.52Å | 1.52Å | |
| C18 | C15 | sing | 1.47Å | 1.48Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.50Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O1 | sing | 1.43Å | 1.44Å | |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.44Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.08Å | 1.08Å | |
| C17 | H33 | sing | 1.08Å | 1.08Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| C | H35 | sing | 1.09Å | 1.10Å | |
| C | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.08Å | 1.08Å | |
| C12 | H38 | sing | 1.08Å | 1.08Å | |
| C11 | H39 | sing | 1.08Å | 1.08Å | |
| C9 | H40 | sing | 1.08Å | 1.08Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 117.5° | 112.8° |
| C22 | C21 | C20 | 116.7° | 112.5° |
| C21 | C22 | H21 | 107.4° | 108.8° |
| C21 | C22 | H22 | 107.4° | 108.8° |
| C22 | C21 | H23 | 107.6° | 108.9° |
| C22 | C21 | H24 | 107.6° | 108.9° |
| C22 | C23 | C24 | 116.0° | 112.5° |
| C22 | C23 | H19 | 107.8° | 108.9° |
| C22 | C23 | H20 | 107.8° | 108.8° |
| C23 | C22 | H21 | 107.4° | 108.8° |
| C23 | C22 | H22 | 107.4° | 108.8° |
| C21 | C20 | C19 | 118.8° | 108.5° |
| C21 | C20 | H11 | 107.1° | 109.6° |
| C21 | C20 | H12 | 107.1° | 109.8° |
| C20 | C21 | H23 | 107.6° | 108.9° |
| C20 | C21 | H24 | 107.6° | 108.9° |
| C23 | C24 | C25 | 114.1° | 108.5° |
| C23 | C24 | H17 | 108.3° | 109.6° |
| C23 | C24 | H18 | 108.3° | 109.8° |
| C24 | C23 | H19 | 107.8° | 108.9° |
| C24 | C23 | H20 | 107.8° | 108.9° |
| C20 | C19 | C25 | 115.8° | 112.4° |
| C20 | C19 | N5 | 106.4° | 108.9° |
| C19 | C20 | H11 | 107.1° | 109.6° |
| C19 | C20 | H12 | 107.1° | 109.6° |
| C20 | C19 | H14 | 107.6° | 108.9° |
| N2 | N1 | N | 110.6° | 110.4° |
| N1 | N2 | N3 | 105.9° | 106.9° |
| N1 | N | C13 | 105.9° | 110.5° |
| N2 | N3 | C13 | 108.8° | 105.2° |
| N2 | N3 | H9 | 125.6° | 127.4° |
| N3 | C13 | N | 108.0° | 107.0° |
| N3 | C13 | C10 | 125.9° | 126.5° |
| C13 | N3 | H9 | 125.6° | 127.4° |
| N | C13 | C10 | 126.1° | 126.5° |
| O3 | C26 | N5 | 123.7° | 121.0° |
| O3 | C26 | C27 | 122.4° | 121.0° |
| C25 | C19 | N5 | 110.5° | 108.9° |
| C19 | C25 | C24 | 116.0° | 112.4° |
| C25 | C19 | H14 | 107.8° | 108.9° |
| C19 | C25 | H15 | 107.8° | 108.9° |
| C19 | C25 | H16 | 107.8° | 108.9° |
| C19 | N5 | C26 | 119.8° | 120.1° |
| C19 | N5 | N4 | 115.2° | 120.1° |
| N5 | C19 | H14 | 108.5° | 108.8° |
| C24 | C25 | H15 | 107.8° | 108.9° |
| C24 | C25 | H16 | 107.8° | 108.8° |
| C25 | C24 | H17 | 108.3° | 109.7° |
| C25 | C24 | H18 | 108.3° | 109.6° |
| C13 | C10 | C9 | 120.6° | 120.1° |
| C13 | C10 | C11 | 120.4° | 120.1° |
| N5 | C26 | C27 | 113.9° | 118.0° |
| C26 | N5 | N4 | 125.0° | 119.8° |
| C26 | C27 | C28 | 112.7° | 112.1° |
| C26 | C27 | C32 | 108.9° | 108.6° |
| C26 | C27 | H25 | 108.2° | 108.7° |
| C9 | C10 | C11 | 119.0° | 119.8° |
| C10 | C9 | C8 | 120.6° | 119.9° |
| C10 | C9 | H40 | 119.7° | 120.0° |
| C10 | C11 | C12 | 120.5° | 119.9° |
| C10 | C11 | H39 | 119.7° | 120.0° |
| C9 | C8 | C7 | 119.6° | 120.1° |
| C9 | C8 | H10 | 120.2° | 119.9° |
| C8 | C9 | H40 | 119.7° | 120.0° |
| N5 | N4 | C18 | 118.6° | 121.3° |
| C11 | C12 | C7 | 119.7° | 120.1° |
| C11 | C12 | H38 | 120.2° | 119.9° |
| C12 | C11 | H39 | 119.8° | 120.1° |
| C8 | C7 | C12 | 119.9° | 120.2° |
| C8 | C7 | O2 | 113.8° | 120.0° |
| C7 | C8 | H10 | 120.2° | 120.0° |
| C12 | C7 | O2 | 126.2° | 119.9° |
| C7 | C12 | H38 | 120.2° | 120.0° |
| C28 | C27 | C32 | 110.9° | 110.7° |
| C27 | C28 | C29 | 112.0° | 111.4° |
| C28 | C27 | H25 | 108.0° | 108.8° |
| C27 | C28 | H30 | 108.8° | 109.1° |
| C27 | C28 | H31 | 108.8° | 109.1° |
| C27 | C32 | C18 | 107.9° | 106.9° |
| C27 | C32 | C31 | 111.6° | 108.7° |
| C32 | C27 | H25 | 107.9° | 107.9° |
| C27 | C32 | H26 | 109.1° | 111.0° |
| C28 | C29 | C30 | 123.4° | 123.7° |
| C28 | C29 | H29 | 118.3° | 118.2° |
| C29 | C28 | H30 | 108.8° | 109.1° |
| C29 | C28 | H31 | 108.8° | 109.1° |
| C7 | O2 | C6 | 117.5° | 117.1° |
| N4 | C18 | C32 | 121.2° | 119.2° |
| N4 | C18 | C15 | 117.1° | 120.4° |
| O2 | C6 | C5 | 110.7° | 109.5° |
| O2 | C6 | H7 | 109.1° | 109.5° |
| O2 | C6 | H8 | 109.2° | 109.4° |
| C6 | C5 | C4 | 114.3° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C6 | C5 | H6 | 108.2° | 109.5° |
| C5 | C6 | H7 | 109.2° | 109.5° |
| C5 | C6 | H8 | 109.2° | 109.5° |
| C5 | C4 | C3 | 114.3° | 109.5° |
| C5 | C4 | H3 | 108.2° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C4 | C5 | H5 | 108.2° | 109.5° |
| C4 | C5 | H6 | 108.3° | 109.4° |
| C29 | C30 | C31 | 123.3° | 124.4° |
| C29 | C30 | H13 | 118.4° | 117.9° |
| C30 | C29 | H29 | 118.3° | 118.2° |
| C32 | C18 | C15 | 121.6° | 120.4° |
| C18 | C32 | C31 | 109.5° | 107.2° |
| C18 | C32 | H26 | 109.5° | 111.7° |
| C18 | C15 | C14 | 119.7° | 120.0° |
| C18 | C15 | C16 | 120.9° | 120.1° |
| C32 | C31 | C30 | 113.2° | 111.2° |
| C31 | C32 | H26 | 109.2° | 111.1° |
| C32 | C31 | H27 | 108.5° | 109.1° |
| C32 | C31 | H28 | 108.5° | 109.2° |
| C31 | C30 | H13 | 118.3° | 117.7° |
| C30 | C31 | H27 | 108.5° | 109.1° |
| C30 | C31 | H28 | 108.5° | 109.1° |
| C4 | C3 | O1 | 110.3° | 109.5° |
| C4 | C3 | H1 | 109.3° | 109.5° |
| C4 | C3 | H2 | 109.3° | 109.4° |
| C3 | C4 | H3 | 108.3° | 109.4° |
| C3 | C4 | H4 | 108.2° | 109.5° |
| C3 | O1 | C2 | 118.4° | 117.0° |
| O1 | C3 | H1 | 109.3° | 109.5° |
| O1 | C3 | H2 | 109.3° | 109.5° |
| C15 | C14 | C2 | 120.8° | 119.8° |
| C14 | C15 | C16 | 119.4° | 119.8° |
| C15 | C14 | H37 | 119.6° | 120.1° |
| C14 | C2 | O1 | 123.9° | 119.9° |
| C14 | C2 | C1 | 119.4° | 120.0° |
| C2 | C14 | H37 | 119.6° | 120.1° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C15 | C16 | H32 | 119.7° | 120.0° |
| O1 | C2 | C1 | 116.7° | 120.0° |
| C2 | C1 | C17 | 119.7° | 120.2° |
| C2 | C1 | O | 115.9° | 119.9° |
| C16 | C17 | C1 | 120.0° | 120.2° |
| C17 | C16 | H32 | 119.6° | 120.0° |
| C16 | C17 | H33 | 120.0° | 119.9° |
| C17 | C1 | O | 124.4° | 119.9° |
| C1 | C17 | H33 | 120.0° | 119.9° |
| C1 | O | C | 117.2° | 117.0° |
| O | C | H34 | 109.5° | 109.5° |
| O | C | H35 | 109.5° | 109.5° |
| O | C | H36 | 109.5° | 109.5° |
| H1 | C3 | H2 | 109.4° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H11 | C20 | H12 | 109.5° | 109.7° |
| H15 | C25 | H16 | 109.4° | 108.9° |
| H17 | C24 | H18 | 109.5° | 109.6° |
| H19 | C23 | H20 | 109.5° | 108.8° |
| H21 | C22 | H22 | 109.5° | 108.7° |
| H23 | C21 | H24 | 109.5° | 108.8° |
| H27 | C31 | H28 | 109.4° | 109.1° |
| H30 | C28 | H31 | 109.5° | 109.0° |
| H34 | C | H35 | 109.5° | 109.5° |
| H34 | C | H36 | 109.5° | 109.5° |
| H35 | C | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H21 | 121.1° | 120.9° |
| C21 | C22 | C23 | H22 | 121.2° | 120.9° |
| C22 | C21 | C20 | H23 | 121.1° | 120.8° |
| C22 | C21 | C20 | H24 | 121.0° | 120.8° |
| C21 | C22 | C23 | C24 | 83.0° | 41.7° |
| C22 | C21 | C20 | C19 | 39.1° | 94.2° |
| C22 | C21 | C20 | H11 | 160.4° | 25.5° |
| C22 | C21 | C20 | H12 | 82.2° | 146.1° |
| C21 | C22 | C23 | H19 | 37.9° | 162.5° |
| C21 | C22 | C23 | H20 | 156.0° | 79.0° |
| C21 | C22 | H21 | H22 | 116.4° | 118.4° |
| C22 | C21 | H23 | H24 | 116.7° | 118.5° |
| C23 | C22 | C21 | C20 | 31.4° | 41.7° |
| C22 | C23 | C24 | H19 | 120.9° | 120.8° |
| C22 | C23 | C24 | H20 | 121.0° | 120.7° |
| C22 | C23 | C24 | C25 | 75.4° | 94.2° |
| C22 | C23 | C24 | H17 | 163.9° | 25.6° |
| C22 | C23 | C24 | H18 | 45.3° | 146.1° |
| C22 | C23 | H19 | H20 | 117.1° | 118.5° |
| C23 | C22 | H21 | H22 | 116.3° | 118.3° |
| C23 | C22 | C21 | H23 | 152.5° | 162.5° |
| C23 | C22 | C21 | H24 | 89.6° | 79.0° |
| C21 | C20 | C19 | H11 | 121.3° | 119.7° |
| C21 | C20 | C19 | H12 | 121.3° | 119.9° |
| C21 | C20 | C19 | C25 | 80.4° | 80.1° |
| C21 | C20 | C19 | N5 | 156.3° | 159.2° |
| C21 | C20 | H11 | H12 | 115.8° | 120.6° |
| C21 | C20 | C19 | H14 | 40.2° | 40.8° |
| C20 | C21 | C22 | H21 | 152.6° | 162.6° |
| C20 | C21 | C22 | H22 | 89.7° | 79.1° |
| C20 | C21 | H23 | H24 | 116.7° | 118.5° |
| C23 | C24 | C25 | C19 | 56.8° | 80.0° |
| C23 | C24 | C25 | H17 | 120.7° | 119.7° |
| C23 | C24 | C25 | H18 | 120.7° | 119.9° |
| C23 | C24 | C25 | H15 | 177.8° | 159.2° |
| C23 | C24 | C25 | H16 | 64.1° | 40.7° |
| C23 | C24 | H17 | H18 | 117.9° | 120.6° |
| C24 | C23 | H19 | H20 | 117.0° | 118.6° |
| C24 | C23 | C22 | H21 | 155.9° | 79.2° |
| C24 | C23 | C22 | H22 | 38.1° | 162.6° |
| C20 | C19 | C25 | N5 | 121.1° | 120.7° |
| C20 | C19 | C25 | H14 | 120.5° | 120.8° |
| C20 | C19 | N5 | H14 | 115.5° | 118.6° |
| C20 | C19 | C25 | C24 | 67.9° | 62.0° |
| C20 | C19 | N5 | C26 | 114.6° | 120.0° |
| C20 | C19 | N5 | N4 | 64.8° | 60.0° |
| C19 | C20 | H11 | H12 | 115.8° | 120.4° |
| C20 | C19 | C25 | H15 | 171.2° | 177.3° |
| C20 | C19 | C25 | H16 | 53.1° | 58.7° |
| C19 | C20 | C21 | H23 | 82.0° | 145.1° |
| C19 | C20 | C21 | H24 | 160.1° | 26.6° |
| N1 | N2 | N3 | C13 | 8.9° | 0.0° |
| N2 | N1 | N | C13 | 6.1° | 0.0° |
| N1 | N2 | N3 | H9 | 171.0° | 180.0° |
| N | N1 | N2 | N3 | 9.3° | 0.0° |
| N1 | N | C13 | N3 | 0.3° | 0.0° |
| N1 | N | C13 | C10 | 178.2° | 180.0° |
| N2 | N3 | C13 | H9 | 180.0° | 180.0° |
| N2 | N3 | C13 | N | 5.3° | 0.0° |
| N2 | N3 | C13 | C10 | 172.5° | 180.0° |
| N3 | C13 | N | C10 | 177.8° | 180.0° |
| N3 | C13 | C10 | C9 | 175.0° | 180.0° |
| N3 | C13 | C10 | C11 | 3.4° | 0.3° |
| N | C13 | C10 | C9 | 7.6° | 0.0° |
| N | C13 | C10 | C11 | 174.0° | 179.8° |
| N | C13 | N3 | H9 | 174.7° | 180.0° |
| O3 | C26 | N5 | C19 | 3.6° | 3.8° |
| O3 | C26 | N5 | C27 | 178.5° | 179.9° |
| O3 | C26 | N5 | N4 | 177.0° | 176.2° |
| O3 | C26 | C27 | C28 | 15.8° | 20.9° |
| O3 | C26 | C27 | C32 | 139.4° | 143.6° |
| O3 | C26 | C27 | H25 | 103.5° | 99.3° |
| C25 | C19 | N5 | H14 | 118.0° | 118.6° |
| C19 | C25 | C24 | H15 | 121.0° | 120.8° |
| C19 | C25 | C24 | H16 | 121.0° | 120.7° |
| C25 | C19 | N5 | C26 | 118.9° | 117.1° |
| C25 | C19 | N5 | N4 | 61.7° | 62.8° |
| C25 | C19 | C20 | H11 | 158.3° | 39.7° |
| C25 | C19 | C20 | H12 | 40.9° | 160.1° |
| C19 | C25 | H15 | H16 | 117.0° | 118.7° |
| C19 | C25 | C24 | H17 | 177.5° | 39.7° |
| C19 | C25 | C24 | H18 | 63.9° | 160.1° |
| N5 | C19 | C25 | C24 | 171.0° | 177.3° |
| C19 | N5 | C26 | N4 | 179.3° | 179.9° |
| C19 | N5 | C26 | C27 | 177.9° | 176.1° |
| C19 | N5 | N4 | C18 | 159.3° | 155.0° |
| N5 | C19 | C20 | H11 | 35.0° | 81.1° |
| N5 | C19 | C20 | H12 | 82.4° | 39.4° |
| N5 | C19 | C25 | H15 | 50.1° | 56.6° |
| N5 | C19 | C25 | H16 | 68.0° | 62.1° |
| C24 | C25 | C19 | H14 | 52.6° | 58.8° |
| C24 | C25 | H15 | H16 | 117.0° | 118.5° |
| C25 | C24 | H17 | H18 | 117.9° | 120.4° |
| C25 | C24 | C23 | H19 | 45.6° | 145.1° |
| C25 | C24 | C23 | H20 | 163.7° | 26.5° |
| C13 | C10 | C9 | C11 | 178.4° | 179.7° |
| C13 | C10 | C9 | C8 | 179.5° | 180.0° |
| C13 | C10 | C11 | C12 | 172.0° | 180.0° |
| C13 | C10 | C11 | H39 | 8.0° | 0.3° |
| C13 | C10 | C9 | H40 | 0.5° | 0.2° |
| C10 | C13 | N3 | H9 | 7.5° | 0.0° |
| N5 | C26 | C27 | C28 | 162.7° | 159.0° |
| N5 | C26 | C27 | C32 | 39.1° | 36.3° |
| C26 | N5 | N4 | C18 | 21.3° | 25.0° |
| C26 | N5 | C19 | H14 | 0.9° | 1.5° |
| N5 | C26 | C27 | H25 | 78.0° | 80.8° |
| C27 | C26 | N5 | N4 | 1.4° | 3.9° |
| C26 | C27 | C28 | C32 | 122.4° | 121.4° |
| C26 | C27 | C28 | H25 | 119.5° | 120.2° |
| C26 | C27 | C32 | H25 | 117.3° | 117.6° |
| C26 | C27 | C28 | C29 | 76.4° | 75.7° |
| C26 | C27 | C32 | C18 | 54.0° | 54.8° |
| C26 | C27 | C32 | C31 | 66.3° | 60.6° |
| C26 | C27 | C32 | H26 | 172.9° | 176.9° |
| C26 | C27 | C28 | H30 | 43.9° | 44.8° |
| C26 | C27 | C28 | H31 | 163.2° | 163.7° |
| C10 | C9 | C8 | H40 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 6.4° | 0.2° |
| C10 | C9 | C8 | C7 | 7.3° | 0.0° |
| C10 | C9 | C8 | H10 | 172.7° | 180.0° |
| C9 | C10 | C11 | H39 | 173.6° | 180.0° |
| C11 | C10 | C9 | C8 | 1.1° | 0.3° |
| C10 | C11 | C12 | H39 | 180.0° | 179.7° |
| C10 | C11 | C12 | C7 | 7.5° | 0.0° |
| C10 | C11 | C12 | H38 | 172.5° | 179.9° |
| C11 | C10 | C9 | H40 | 178.9° | 179.9° |
| C9 | C8 | C7 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | C12 | 6.2° | 0.3° |
| C9 | C8 | C7 | O2 | 170.0° | 180.0° |
| N5 | N4 | C18 | C32 | 1.2° | 0.5° |
| N5 | N4 | C18 | C15 | 175.0° | 179.5° |
| N4 | N5 | C19 | H14 | 179.7° | 178.6° |
| C11 | C12 | C7 | C8 | 1.2° | 0.3° |
| C11 | C12 | C7 | H38 | 180.0° | 180.0° |
| C11 | C12 | C7 | O2 | 176.8° | 180.0° |
| C8 | C7 | C12 | O2 | 175.6° | 179.7° |
| C8 | C7 | O2 | C6 | 171.8° | 180.0° |
| C8 | C7 | C12 | H38 | 178.8° | 179.7° |
| C7 | C8 | C9 | H40 | 172.7° | 179.8° |
| C12 | C7 | O2 | C6 | 4.0° | 0.3° |
| C12 | C7 | C8 | H10 | 173.8° | 179.7° |
| C7 | C12 | C11 | H39 | 172.5° | 179.7° |
| C28 | C27 | C32 | H25 | 118.1° | 118.9° |
| C27 | C28 | C29 | H30 | 120.4° | 120.5° |
| C27 | C28 | C29 | H31 | 120.4° | 120.6° |
| C27 | C28 | C29 | C30 | 18.8° | 15.2° |
| C28 | C27 | C32 | C18 | 178.6° | 178.3° |
| C28 | C27 | C32 | C31 | 58.3° | 62.8° |
| C28 | C27 | C32 | H26 | 62.5° | 59.6° |
| C27 | C28 | C29 | H29 | 161.2° | 164.9° |
| C27 | C28 | H30 | H31 | 118.8° | 119.0° |
| C32 | C27 | C28 | C29 | 46.0° | 45.7° |
| C27 | C32 | C18 | N4 | 36.2° | 39.4° |
| C27 | C32 | C18 | C31 | 121.6° | 116.5° |
| C27 | C32 | C18 | H26 | 118.7° | 121.7° |
| C27 | C32 | C18 | C15 | 147.8° | 140.5° |
| C27 | C32 | C31 | H26 | 120.7° | 122.4° |
| C27 | C32 | C31 | C30 | 41.0° | 47.2° |
| C27 | C32 | C31 | H27 | 161.5° | 73.2° |
| C27 | C32 | C31 | H28 | 79.6° | 167.6° |
| C32 | C27 | C28 | H30 | 166.4° | 166.2° |
| C32 | C27 | C28 | H31 | 74.4° | 74.9° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 2.0° | 1.1° |
| C28 | C29 | C30 | H13 | 178.0° | 178.9° |
| C29 | C28 | C27 | H25 | 164.1° | 164.1° |
| C29 | C28 | H30 | H31 | 118.9° | 119.0° |
| C7 | O2 | C6 | C5 | 168.7° | 180.0° |
| C7 | O2 | C6 | H7 | 48.5° | 59.9° |
| C7 | O2 | C6 | H8 | 71.2° | 60.0° |
| O2 | C7 | C8 | H10 | 10.0° | 0.0° |
| O2 | C7 | C12 | H38 | 3.2° | 0.0° |
| N4 | C18 | C32 | C15 | 176.1° | 180.0° |
| N4 | C18 | C32 | C31 | 85.5° | 77.0° |
| N4 | C18 | C15 | C14 | 8.8° | 0.4° |
| N4 | C18 | C15 | C16 | 169.9° | 180.0° |
| N4 | C18 | C32 | H26 | 154.8° | 161.1° |
| O2 | C6 | C5 | H7 | 120.2° | 120.0° |
| O2 | C6 | C5 | H8 | 120.2° | 120.0° |
| O2 | C6 | C5 | C4 | 67.2° | 180.0° |
| O2 | C6 | C5 | H5 | 53.5° | 59.9° |
| O2 | C6 | C5 | H6 | 172.1° | 60.1° |
| O2 | C6 | H7 | H8 | 119.4° | 119.9° |
| C6 | C5 | C4 | H5 | 120.7° | 120.1° |
| C6 | C5 | C4 | H6 | 120.7° | 120.0° |
| C6 | C5 | C4 | C3 | 100.7° | 180.0° |
| C6 | C5 | C4 | H3 | 138.6° | 60.0° |
| C6 | C5 | C4 | H4 | 20.1° | 60.0° |
| C6 | C5 | H5 | H6 | 117.8° | 120.0° |
| C5 | C6 | H7 | H8 | 119.5° | 120.0° |
| C5 | C4 | C3 | H3 | 120.7° | 120.0° |
| C5 | C4 | C3 | H4 | 120.7° | 120.0° |
| C5 | C4 | C3 | O1 | 179.2° | 180.0° |
| C5 | C4 | C3 | H1 | 59.1° | 60.0° |
| C5 | C4 | C3 | H2 | 60.6° | 60.0° |
| C5 | C4 | H3 | H4 | 117.8° | 120.0° |
| C4 | C5 | H5 | H6 | 117.8° | 119.9° |
| C4 | C5 | C6 | H7 | 172.6° | 60.0° |
| C4 | C5 | C6 | H8 | 53.0° | 60.0° |
| C29 | C30 | C31 | C32 | 13.3° | 17.9° |
| C29 | C30 | C31 | H13 | 180.0° | 180.0° |
| C29 | C30 | C31 | H27 | 133.9° | 102.5° |
| C29 | C30 | C31 | H28 | 107.3° | 138.3° |
| C30 | C29 | C28 | H30 | 139.2° | 135.7° |
| C30 | C29 | C28 | H31 | 101.5° | 105.4° |
| C18 | C32 | C31 | H26 | 119.8° | 122.3° |
| C18 | C32 | C31 | C30 | 160.4° | 162.4° |
| C32 | C18 | C15 | C14 | 175.0° | 179.6° |
| C32 | C18 | C15 | C16 | 6.3° | 0.0° |
| C18 | C32 | C27 | H25 | 63.3° | 62.8° |
| C18 | C32 | C31 | H27 | 79.1° | 42.1° |
| C18 | C32 | C31 | H28 | 39.8° | 77.1° |
| C15 | C18 | C32 | C31 | 90.6° | 103.0° |
| C18 | C15 | C14 | C16 | 178.7° | 179.5° |
| C18 | C15 | C14 | C2 | 180.0° | 179.8° |
| C18 | C15 | C16 | C17 | 179.8° | 180.0° |
| C15 | C18 | C32 | H26 | 29.1° | 18.9° |
| C18 | C15 | C16 | H32 | 0.2° | 0.0° |
| C18 | C15 | C14 | H37 | 0.0° | 0.4° |
| C32 | C31 | C30 | H27 | 120.6° | 120.4° |
| C32 | C31 | C30 | H28 | 120.6° | 120.5° |
| C32 | C31 | C30 | H13 | 166.7° | 162.1° |
| C31 | C32 | C27 | H25 | 176.4° | 178.2° |
| C32 | C31 | H27 | H28 | 118.3° | 119.2° |
| C30 | C31 | C32 | H26 | 79.8° | 75.3° |
| C30 | C31 | H27 | H28 | 118.3° | 119.1° |
| C31 | C30 | C29 | H29 | 178.0° | 179.0° |
| C4 | C3 | O1 | H1 | 120.2° | 120.0° |
| C4 | C3 | O1 | H2 | 120.2° | 120.0° |
| C4 | C3 | O1 | C2 | 172.9° | 180.0° |
| C4 | C3 | H1 | H2 | 119.6° | 119.9° |
| C3 | C4 | H3 | H4 | 117.8° | 120.0° |
| C3 | C4 | C5 | H5 | 20.0° | 60.0° |
| C3 | C4 | C5 | H6 | 138.6° | 60.0° |
| C3 | O1 | C2 | C14 | 5.5° | 0.0° |
| C3 | O1 | C2 | C1 | 173.9° | 180.0° |
| O1 | C3 | H1 | H2 | 119.6° | 120.0° |
| O1 | C3 | C4 | H3 | 60.0° | 60.0° |
| O1 | C3 | C4 | H4 | 58.5° | 60.0° |
| C15 | C14 | C2 | H37 | 180.0° | 179.8° |
| C15 | C14 | C2 | O1 | 178.5° | 180.0° |
| C15 | C14 | C2 | C1 | 0.9° | 0.0° |
| C14 | C15 | C16 | C17 | 1.1° | 0.5° |
| C14 | C15 | C16 | H32 | 178.9° | 179.5° |
| C2 | C14 | C15 | C16 | 1.3° | 0.3° |
| C14 | C2 | O1 | C1 | 179.4° | 180.0° |
| C14 | C2 | C1 | C17 | 0.2° | 0.0° |
| C14 | C2 | C1 | O | 178.7° | 179.8° |
| C15 | C16 | C17 | H32 | 180.0° | 180.0° |
| C15 | C16 | C17 | C1 | 0.5° | 0.4° |
| C15 | C16 | C17 | H33 | 179.5° | 179.5° |
| C16 | C15 | C14 | H37 | 178.7° | 179.9° |
| O1 | C2 | C1 | C17 | 179.2° | 179.9° |
| O1 | C2 | C1 | O | 1.9° | 0.3° |
| C2 | O1 | C3 | H1 | 52.8° | 60.0° |
| C2 | O1 | C3 | H2 | 66.9° | 60.0° |
| O1 | C2 | C14 | H37 | 1.5° | 0.2° |
| C2 | C1 | C17 | C16 | 0.1° | 0.2° |
| C2 | C1 | C17 | O | 178.8° | 179.8° |
| C2 | C1 | O | C | 156.2° | 179.7° |
| C2 | C1 | C17 | H33 | 180.0° | 179.7° |
| C1 | C2 | C14 | H37 | 179.1° | 179.8° |
| C16 | C17 | C1 | H33 | 180.0° | 179.9° |
| C16 | C17 | C1 | O | 178.7° | 180.0° |
| C17 | C1 | O | C | 25.0° | 0.1° |
| C1 | C17 | C16 | H32 | 179.5° | 179.5° |
| O | C1 | C17 | H33 | 1.2° | 0.1° |
| C1 | O | C | H34 | 180.0° | 59.9° |
| C1 | O | C | H35 | 60.0° | 180.0° |
| C1 | O | C | H36 | 60.0° | 60.1° |
| O | C | H34 | H35 | 120.0° | 120.1° |
| O | C | H34 | H36 | 120.0° | 120.0° |
| O | C | H35 | H36 | 120.0° | 120.0° |
| H1 | C3 | C4 | H3 | 179.8° | 60.0° |
| H1 | C3 | C4 | H4 | 61.6° | 180.0° |
| H2 | C3 | C4 | H3 | 60.1° | 180.0° |
| H2 | C3 | C4 | H4 | 178.7° | 60.0° |
| H3 | C4 | C5 | H5 | 100.7° | 179.9° |
| H3 | C4 | C5 | H6 | 17.9° | 60.0° |
| H4 | C4 | C5 | H5 | 140.8° | 60.1° |
| H4 | C4 | C5 | H6 | 100.6° | 180.0° |
| H5 | C5 | C6 | H7 | 66.7° | 180.0° |
| H5 | C5 | C6 | H8 | 173.7° | 60.0° |
| H6 | C5 | C6 | H7 | 51.9° | 60.0° |
| H6 | C5 | C6 | H8 | 67.7° | 180.0° |
| H10 | C8 | C9 | H40 | 7.3° | 0.2° |
| H11 | C20 | C19 | H14 | 81.1° | 160.5° |
| H11 | C20 | C21 | H23 | 39.4° | 95.3° |
| H11 | C20 | C21 | H24 | 78.5° | 146.3° |
| H12 | C20 | C19 | H14 | 161.5° | 79.1° |
| H12 | C20 | C21 | H23 | 156.7° | 25.3° |
| H12 | C20 | C21 | H24 | 38.8° | 93.2° |
| H13 | C30 | C31 | H27 | 46.1° | 77.5° |
| H13 | C30 | C31 | H28 | 72.7° | 41.6° |
| H13 | C30 | C29 | H29 | 2.0° | 1.0° |
| H14 | C19 | C25 | H15 | 68.4° | 61.9° |
| H14 | C19 | C25 | H16 | 173.6° | 179.5° |
| H15 | C25 | C24 | H17 | 61.6° | 81.0° |
| H15 | C25 | C24 | H18 | 57.1° | 39.4° |
| H16 | C25 | C24 | H17 | 56.5° | 160.5° |
| H16 | C25 | C24 | H18 | 175.2° | 79.2° |
| H17 | C24 | C23 | H19 | 75.1° | 95.2° |
| H17 | C24 | C23 | H20 | 43.0° | 146.3° |
| H18 | C24 | C23 | H19 | 166.2° | 25.3° |
| H18 | C24 | C23 | H20 | 75.7° | 93.2° |
| H19 | C23 | C22 | H21 | 83.2° | 41.6° |
| H19 | C23 | C22 | H22 | 159.1° | 76.6° |
| H20 | C23 | C22 | H21 | 34.9° | 160.1° |
| H20 | C23 | C22 | H22 | 82.8° | 41.9° |
| H21 | C22 | C21 | H23 | 86.4° | 76.6° |
| H21 | C22 | C21 | H24 | 31.5° | 41.8° |
| H22 | C22 | C21 | H23 | 31.4° | 41.7° |
| H22 | C22 | C21 | H24 | 149.3° | 160.1° |
| H25 | C27 | C32 | H26 | 55.6° | 59.3° |
| H25 | C27 | C28 | H30 | 75.6° | 75.4° |
| H25 | C27 | C28 | H31 | 43.7° | 43.5° |
| H26 | C32 | C31 | H27 | 40.8° | 164.3° |
| H26 | C32 | C31 | H28 | 159.6° | 45.1° |
| H29 | C29 | C28 | H30 | 40.8° | 44.4° |
| H29 | C29 | C28 | H31 | 78.5° | 74.6° |
| H32 | C16 | C17 | H33 | 0.5° | 0.5° |
| H34 | C | H35 | H36 | 120.0° | 120.0° |
| H38 | C12 | C11 | H39 | 7.6° | 0.3° |
