1RM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.50Å | 1.50Å | |
| C18 | C19 | doub | 1.41Å | 1.41Å | |
| C31 | C20 | sing | 1.49Å | 1.49Å | |
| C20 | C19 | sing | 1.52Å | 1.52Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | |
| C32 | C22 | sing | 1.48Å | 1.48Å | |
| C30 | C16 | sing | 1.49Å | 1.49Å | |
| O10 | C21 | sing | 1.37Å | 1.37Å | |
| C16 | C15 | sing | 1.50Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C15 | O11 | doub | 1.23Å | 1.23Å | |
| C15 | N1 | sing | 1.45Å | 1.45Å | |
| C23 | O9 | sing | 1.37Å | 1.37Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| N1 | C2 | sing | 1.45Å | 1.45Å | |
| C33 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| O8 | C35 | doub | 1.22Å | 1.22Å | |
| C03 | C04 | doub | 1.37Å | 1.37Å | Aromatic |
| C03 | C01 | sing | 1.41Å | 1.41Å | Aromatic |
| C36 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | O7 | sing | 1.39Å | 1.39Å | |
| O01 | C01 | sing | 1.39Å | 1.39Å | |
| O01 | C3 | sing | 1.41Å | 1.41Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | |
| C2 | C1 | sing | 1.48Å | 1.48Å | |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | O7 | sing | 1.37Å | 1.37Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.23Å | 1.23Å | |
| C01 | C02 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.52Å | 1.52Å | |
| C1 | C9 | sing | 1.49Å | 1.49Å | |
| C34 | C26 | sing | 1.51Å | 1.51Å | |
| C05 | C06 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.52Å | 1.52Å | |
| C02 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| C02 | N3 | sing | 1.43Å | 1.43Å | |
| C4 | N3 | doub | 1.30Å | 1.30Å | |
| C4 | C10 | sing | 1.51Å | 1.51Å | |
| O2 | C8 | sing | 1.36Å | 1.36Å | |
| C9 | C10 | doub | 1.42Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.44Å | 1.44Å | Aromatic |
| C06 | O | sing | 1.42Å | 1.42Å | |
| O6 | C27 | sing | 1.38Å | 1.38Å | |
| O6 | C37 | sing | 1.39Å | 1.39Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C10 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| O | C07 | sing | 1.41Å | 1.41Å | |
| C07 | C08 | sing | 1.55Å | 1.55Å | |
| C28 | C29 | doub | 1.40Å | 1.40Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C11 | sing | 1.41Å | 1.41Å | |
| C7 | C6 | sing | 1.43Å | 1.43Å | Aromatic |
| C7 | C14 | sing | 1.55Å | 1.55Å | |
| C29 | O5 | sing | 1.43Å | 1.43Å | |
| C6 | O3 | sing | 1.52Å | 1.52Å | |
| C45 | C46 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | N03 | sing | 1.35Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.55Å | 1.55Å | |
| C11 | O4 | doub | 1.22Å | 1.22Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | |
| C46 | N | sing | 1.36Å | 1.36Å | Aromatic |
| O5 | C12 | sing | 1.41Å | 1.41Å | |
| N03 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | O3 | sing | 1.45Å | 1.45Å | |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| C09 | C38 | sing | 1.53Å | 1.53Å | |
| N | C | sing | 1.36Å | 1.36Å | Aromatic |
| N | C40 | sing | 1.47Å | 1.47Å | |
| C38 | N02 | sing | 1.47Å | 1.47Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C42 | N02 | sing | 1.46Å | 1.46Å | |
| C42 | C41 | sing | 1.52Å | 1.52Å | |
| N02 | C43 | sing | 1.48Å | 1.48Å | |
| C41 | N01 | sing | 1.45Å | 1.45Å | |
| C39 | N01 | sing | 1.48Å | 1.48Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| N01 | C44 | sing | 1.44Å | 1.44Å | |
| C13 | H01 | sing | 1.10Å | 1.10Å | |
| C13 | H02 | sing | 1.10Å | 1.10Å | |
| C13 | H03 | sing | 1.10Å | 1.10Å | |
| C14 | H06 | sing | 1.10Å | 1.10Å | |
| C14 | H04 | sing | 1.10Å | 1.10Å | |
| C14 | H05 | sing | 1.10Å | 1.10Å | |
| C17 | H07 | sing | 1.08Å | 1.08Å | |
| C18 | H08 | sing | 1.08Å | 1.08Å | |
| C19 | H09 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.10Å | 1.10Å | |
| C21 | H11 | sing | 1.10Å | 1.10Å | |
| C22 | H12 | sing | 1.10Å | 1.10Å | |
| C23 | H13 | sing | 1.10Å | 1.10Å | |
| C24 | H14 | sing | 1.10Å | 1.10Å | |
| C25 | H15 | sing | 1.10Å | 1.10Å | |
| C26 | H16 | sing | 1.10Å | 1.10Å | |
| C27 | H17 | sing | 1.10Å | 1.10Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.10Å | 1.10Å | |
| C30 | H22 | sing | 1.10Å | 1.10Å | |
| C30 | H21 | sing | 1.10Å | 1.10Å | |
| C31 | H23 | sing | 1.10Å | 1.10Å | |
| C31 | H24 | sing | 1.10Å | 1.10Å | |
| C31 | H25 | sing | 1.10Å | 1.10Å | |
| C32 | H28 | sing | 1.10Å | 1.10Å | |
| C32 | H27 | sing | 1.10Å | 1.10Å | |
| C32 | H26 | sing | 1.10Å | 1.10Å | |
| C33 | H29 | sing | 1.10Å | 1.10Å | |
| C33 | H30 | sing | 1.10Å | 1.10Å | |
| C33 | H31 | sing | 1.10Å | 1.10Å | |
| C34 | H34 | sing | 1.10Å | 1.10Å | |
| C34 | H32 | sing | 1.10Å | 1.10Å | |
| C34 | H33 | sing | 1.10Å | 1.10Å | |
| C36 | H36 | sing | 1.10Å | 1.10Å | |
| C36 | H35 | sing | 1.10Å | 1.10Å | |
| C36 | H37 | sing | 1.10Å | 1.10Å | |
| C37 | H40 | sing | 1.10Å | 1.10Å | |
| C37 | H39 | sing | 1.10Å | 1.10Å | |
| C37 | H38 | sing | 1.10Å | 1.10Å | |
| N1 | H41 | sing | 1.00Å | 1.00Å | |
| O2 | H42 | sing | 0.95Å | 0.95Å | |
| O9 | H43 | sing | 0.95Å | 0.95Å | |
| O10 | H44 | sing | 0.95Å | 0.95Å | |
| C03 | H45 | sing | 1.08Å | 1.08Å | |
| C04 | H46 | sing | 1.08Å | 1.08Å | |
| C05 | H64 | sing | 1.08Å | 1.08Å | |
| C07 | H53 | sing | 1.10Å | 1.10Å | |
| C07 | H54 | sing | 1.10Å | 1.10Å | |
| C08 | H48 | sing | 1.10Å | 1.10Å | |
| C08 | H47 | sing | 1.10Å | 1.10Å | |
| C09 | H50 | sing | 1.10Å | 1.10Å | |
| C09 | H49 | sing | 1.10Å | 1.10Å | |
| C38 | H52 | sing | 1.10Å | 1.10Å | |
| C38 | H51 | sing | 1.10Å | 1.10Å | |
| C39 | H3 | sing | 1.10Å | 1.10Å | |
| C39 | H56 | sing | 1.10Å | 1.10Å | |
| C40 | H57 | sing | 1.10Å | 1.10Å | |
| C40 | H55 | sing | 1.10Å | 1.10Å | |
| C41 | H59 | sing | 1.10Å | 1.10Å | |
| C41 | H58 | sing | 1.10Å | 1.10Å | |
| C42 | H61 | sing | 1.10Å | 1.10Å | |
| C42 | H60 | sing | 1.10Å | 1.10Å | |
| C43 | H63 | sing | 1.10Å | 1.10Å | |
| C43 | H62 | sing | 1.10Å | 1.10Å | |
| C44 | H2 | sing | 1.10Å | 1.10Å | |
| C44 | H1 | sing | 1.10Å | 1.10Å | |
| C45 | H65 | sing | 1.08Å | 1.08Å | |
| C46 | H66 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 117.1° | 117.1° |
| C18 | C17 | C16 | 117.4° | 117.4° |
| C18 | C17 | H07 | 121.3° | 121.3° |
| C17 | C18 | H08 | 121.5° | 121.5° |
| C18 | C19 | C20 | 121.7° | 121.7° |
| C19 | C18 | H08 | 121.5° | 121.5° |
| C18 | C19 | H09 | 119.1° | 119.1° |
| C31 | C20 | C19 | 106.0° | 106.0° |
| C31 | C20 | C21 | 117.6° | 117.6° |
| C31 | C20 | H10 | 108.9° | 108.9° |
| C20 | C31 | H23 | 109.5° | 109.5° |
| C20 | C31 | H24 | 109.5° | 109.5° |
| C20 | C31 | H25 | 109.5° | 109.5° |
| C19 | C20 | C21 | 106.9° | 106.9° |
| C20 | C19 | H09 | 119.2° | 119.2° |
| C19 | C20 | H10 | 108.6° | 108.6° |
| C20 | C21 | O10 | 108.3° | 108.3° |
| C20 | C21 | C22 | 117.5° | 117.5° |
| C21 | C20 | H10 | 108.6° | 108.6° |
| C20 | C21 | H11 | 106.9° | 106.9° |
| C17 | C16 | C30 | 118.7° | 118.7° |
| C17 | C16 | C15 | 117.2° | 117.2° |
| C16 | C17 | H07 | 121.3° | 121.3° |
| C32 | C22 | C21 | 112.1° | 112.1° |
| C32 | C22 | C23 | 108.6° | 108.6° |
| C32 | C22 | H12 | 109.5° | 109.5° |
| C22 | C32 | H28 | 109.5° | 109.5° |
| C22 | C32 | H27 | 109.5° | 109.5° |
| C22 | C32 | H26 | 109.4° | 109.4° |
| C30 | C16 | C15 | 119.5° | 119.5° |
| C16 | C30 | H20 | 109.5° | 109.5° |
| C16 | C30 | H22 | 109.5° | 109.5° |
| C16 | C30 | H21 | 109.5° | 109.5° |
| O10 | C21 | C22 | 108.4° | 108.4° |
| O10 | C21 | H11 | 108.7° | 108.7° |
| C21 | O10 | H44 | 109.5° | 109.5° |
| C16 | C15 | O11 | 120.1° | 120.1° |
| C16 | C15 | N1 | 120.3° | 120.3° |
| C21 | C22 | C23 | 109.0° | 109.0° |
| C22 | C21 | H11 | 106.7° | 106.7° |
| C21 | C22 | H12 | 108.8° | 108.8° |
| C22 | C23 | O9 | 108.6° | 108.6° |
| C22 | C23 | C24 | 117.2° | 117.2° |
| C23 | C22 | H12 | 108.8° | 108.8° |
| C22 | C23 | H13 | 106.6° | 106.6° |
| O11 | C15 | N1 | 119.6° | 119.6° |
| C15 | N1 | C2 | 119.5° | 119.5° |
| C15 | N1 | H41 | 120.3° | 120.3° |
| O9 | C23 | C24 | 108.8° | 108.8° |
| O9 | C23 | H13 | 108.6° | 108.6° |
| C23 | O9 | H43 | 109.5° | 109.5° |
| C23 | C24 | C33 | 109.5° | 109.5° |
| C23 | C24 | C25 | 109.3° | 109.3° |
| C24 | C23 | H13 | 106.8° | 106.8° |
| C23 | C24 | H14 | 108.6° | 108.6° |
| N1 | C2 | C3 | 121.5° | 121.5° |
| N1 | C2 | C1 | 118.2° | 118.2° |
| C2 | N1 | H41 | 120.2° | 120.2° |
| C33 | C24 | C25 | 112.3° | 112.3° |
| C33 | C24 | H14 | 108.7° | 108.7° |
| C24 | C33 | H29 | 109.5° | 109.5° |
| C24 | C33 | H30 | 109.5° | 109.5° |
| C24 | C33 | H31 | 109.5° | 109.5° |
| C24 | C25 | O7 | 109.6° | 109.6° |
| C24 | C25 | C26 | 114.4° | 114.4° |
| C25 | C24 | H14 | 108.3° | 108.3° |
| C24 | C25 | H15 | 106.4° | 106.4° |
| O8 | C35 | C36 | 119.4° | 119.4° |
| O8 | C35 | O7 | 121.5° | 121.5° |
| C04 | C03 | C01 | 119.3° | 119.3° |
| C03 | C04 | C05 | 120.4° | 120.4° |
| C04 | C03 | H45 | 120.4° | 120.4° |
| C03 | C04 | H46 | 119.8° | 119.8° |
| C03 | C01 | O01 | 116.0° | 116.0° |
| C03 | C01 | C02 | 122.1° | 122.1° |
| C01 | C03 | H45 | 120.4° | 120.4° |
| C36 | C35 | O7 | 119.0° | 119.0° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C35 | C36 | H35 | 109.5° | 109.5° |
| C35 | C36 | H37 | 109.5° | 109.5° |
| C35 | O7 | C25 | 122.4° | 122.4° |
| C01 | O01 | C3 | 117.1° | 117.1° |
| O01 | C01 | C02 | 121.9° | 121.9° |
| O01 | C3 | C2 | 119.4° | 119.4° |
| O01 | C3 | C4 | 120.4° | 120.4° |
| C3 | C2 | C1 | 120.2° | 120.2° |
| C2 | C3 | C4 | 120.3° | 120.3° |
| C2 | C1 | O1 | 119.5° | 119.5° |
| C2 | C1 | C9 | 120.7° | 120.7° |
| C04 | C05 | C06 | 120.3° | 120.3° |
| C05 | C04 | H46 | 119.8° | 119.8° |
| C04 | C05 | H64 | 119.9° | 119.9° |
| O7 | C25 | C26 | 111.2° | 111.2° |
| O7 | C25 | H15 | 108.4° | 108.4° |
| C25 | C26 | C34 | 109.3° | 109.3° |
| C25 | C26 | C27 | 112.2° | 112.2° |
| C26 | C25 | H15 | 106.5° | 106.5° |
| C25 | C26 | H16 | 108.4° | 108.4° |
| O1 | C1 | C9 | 119.8° | 119.8° |
| C01 | C02 | C06 | 117.9° | 117.9° |
| C01 | C02 | N3 | 120.4° | 120.4° |
| C3 | C4 | N3 | 119.2° | 119.2° |
| C3 | C4 | C10 | 120.1° | 120.1° |
| C1 | C9 | C10 | 120.5° | 120.5° |
| C1 | C9 | C8 | 115.7° | 115.7° |
| C34 | C26 | C27 | 109.7° | 109.7° |
| C34 | C26 | H16 | 108.7° | 108.7° |
| C26 | C34 | H34 | 109.5° | 109.5° |
| C26 | C34 | H32 | 109.5° | 109.5° |
| C26 | C34 | H33 | 109.5° | 109.5° |
| C05 | C06 | C02 | 120.1° | 120.1° |
| C05 | C06 | O | 120.4° | 120.4° |
| C06 | C05 | H64 | 119.8° | 119.8° |
| C26 | C27 | O6 | 109.7° | 109.7° |
| C26 | C27 | C28 | 112.4° | 112.4° |
| C27 | C26 | H16 | 108.5° | 108.5° |
| C26 | C27 | H17 | 108.0° | 108.0° |
| C06 | C02 | N3 | 121.8° | 121.8° |
| C02 | C06 | O | 119.5° | 119.5° |
| C02 | N3 | C4 | 121.0° | 121.0° |
| N3 | C4 | C10 | 120.7° | 120.7° |
| C4 | C10 | C9 | 118.2° | 118.2° |
| C4 | C10 | C5 | 128.7° | 128.7° |
| O2 | C8 | C9 | 118.8° | 118.8° |
| O2 | C8 | C7 | 119.5° | 119.5° |
| C8 | O2 | H42 | 109.5° | 109.5° |
| C10 | C9 | C8 | 123.8° | 123.8° |
| C9 | C10 | C5 | 113.1° | 113.1° |
| C9 | C8 | C7 | 121.6° | 121.6° |
| C06 | O | C07 | 120.2° | 120.2° |
| C27 | O6 | C37 | 121.7° | 121.7° |
| O6 | C27 | C28 | 108.7° | 108.7° |
| O6 | C27 | H17 | 110.0° | 110.0° |
| O6 | C37 | H40 | 109.5° | 109.5° |
| O6 | C37 | H39 | 109.5° | 109.5° |
| O6 | C37 | H38 | 109.5° | 109.5° |
| C27 | C28 | C29 | 121.7° | 121.7° |
| C28 | C27 | H17 | 108.1° | 108.1° |
| C27 | C28 | H18 | 119.1° | 119.1° |
| C10 | C5 | C6 | 123.4° | 123.4° |
| C10 | C5 | C11 | 136.0° | 136.0° |
| C8 | C7 | C6 | 113.6° | 113.6° |
| C8 | C7 | C14 | 123.3° | 123.3° |
| O | C07 | C08 | 111.0° | 111.0° |
| O | C07 | H53 | 109.1° | 109.1° |
| O | C07 | H54 | 109.1° | 109.1° |
| C07 | C08 | C09 | 110.6° | 110.6° |
| C08 | C07 | H53 | 109.1° | 109.1° |
| C08 | C07 | H54 | 109.1° | 109.1° |
| C07 | C08 | H48 | 109.2° | 109.2° |
| C07 | C08 | H47 | 109.2° | 109.2° |
| C28 | C29 | O5 | 119.2° | 119.2° |
| C29 | C28 | H18 | 119.2° | 119.2° |
| C28 | C29 | H19 | 120.4° | 120.4° |
| C6 | C5 | C11 | 100.6° | 100.6° |
| C5 | C6 | C7 | 124.5° | 124.5° |
| C5 | C6 | O3 | 113.4° | 113.4° |
| C5 | C11 | O4 | 124.7° | 124.7° |
| C5 | C11 | C12 | 113.8° | 113.8° |
| C6 | C7 | C14 | 123.1° | 123.1° |
| C7 | C6 | O3 | 122.0° | 122.0° |
| C7 | C14 | H06 | 109.5° | 109.5° |
| C7 | C14 | H04 | 109.5° | 109.5° |
| C7 | C14 | H05 | 109.5° | 109.5° |
| C29 | O5 | C12 | 123.2° | 123.2° |
| O5 | C29 | H19 | 120.4° | 120.4° |
| C6 | O3 | C12 | 99.4° | 99.4° |
| C46 | C45 | N03 | 107.9° | 107.9° |
| C45 | C46 | N | 108.2° | 108.2° |
| C46 | C45 | H65 | 126.0° | 126.0° |
| C45 | C46 | H66 | 125.9° | 125.9° |
| C45 | N03 | C | 108.0° | 108.0° |
| N03 | C45 | H65 | 126.0° | 126.0° |
| C08 | C09 | C38 | 109.9° | 109.9° |
| C09 | C08 | H48 | 109.2° | 109.2° |
| C09 | C08 | H47 | 109.2° | 109.2° |
| C08 | C09 | H50 | 109.4° | 109.4° |
| C08 | C09 | H49 | 109.4° | 109.3° |
| O4 | C11 | C12 | 121.5° | 121.5° |
| C11 | C12 | O5 | 111.9° | 111.9° |
| C11 | C12 | O3 | 105.1° | 105.1° |
| C11 | C12 | C13 | 109.9° | 109.9° |
| C46 | N | C | 107.5° | 107.5° |
| C46 | N | C40 | 125.4° | 125.4° |
| N | C46 | H66 | 125.9° | 125.9° |
| O5 | C12 | O3 | 110.4° | 110.4° |
| O5 | C12 | C13 | 110.6° | 110.6° |
| N03 | C | N | 108.3° | 108.3° |
| N03 | C | H | 125.9° | 125.9° |
| O3 | C12 | C13 | 108.9° | 108.9° |
| C12 | C13 | H01 | 109.5° | 109.5° |
| C12 | C13 | H02 | 109.4° | 109.4° |
| C12 | C13 | H03 | 109.5° | 109.5° |
| C09 | C38 | N02 | 111.0° | 111.0° |
| C38 | C09 | H50 | 109.4° | 109.4° |
| C38 | C09 | H49 | 109.4° | 109.4° |
| C09 | C38 | H52 | 109.1° | 109.1° |
| C09 | C38 | H51 | 109.1° | 109.1° |
| C | N | C40 | 127.1° | 127.1° |
| N | C | H | 125.8° | 125.8° |
| N | C40 | C39 | 113.3° | 113.3° |
| N | C40 | H57 | 108.5° | 108.5° |
| N | C40 | H55 | 108.5° | 108.5° |
| C38 | N02 | C42 | 124.9° | 124.9° |
| C38 | N02 | C43 | 117.0° | 117.0° |
| N02 | C38 | H52 | 109.1° | 109.1° |
| N02 | C38 | H51 | 109.1° | 109.1° |
| C40 | C39 | N01 | 110.2° | 110.2° |
| C40 | C39 | H3 | 109.3° | 109.3° |
| C40 | C39 | H56 | 109.3° | 109.3° |
| C39 | C40 | H57 | 108.5° | 108.5° |
| C39 | C40 | H55 | 108.5° | 108.5° |
| N02 | C42 | C41 | 114.0° | 114.0° |
| C42 | N02 | C43 | 107.8° | 107.8° |
| N02 | C42 | H61 | 108.3° | 108.3° |
| N02 | C42 | H60 | 108.3° | 108.3° |
| C42 | C41 | N01 | 115.4° | 115.4° |
| C42 | C41 | H59 | 108.0° | 108.0° |
| C42 | C41 | H58 | 108.0° | 108.0° |
| C41 | C42 | H61 | 108.3° | 108.3° |
| C41 | C42 | H60 | 108.3° | 108.3° |
| N02 | C43 | C44 | 111.5° | 111.5° |
| N02 | C43 | H63 | 108.9° | 108.9° |
| N02 | C43 | H62 | 109.0° | 109.0° |
| C41 | N01 | C39 | 116.8° | 116.8° |
| C41 | N01 | C44 | 116.5° | 116.5° |
| N01 | C41 | H59 | 108.0° | 108.0° |
| N01 | C41 | H58 | 108.0° | 108.0° |
| C39 | N01 | C44 | 121.5° | 121.5° |
| N01 | C39 | H3 | 109.3° | 109.3° |
| N01 | C39 | H56 | 109.3° | 109.3° |
| C43 | C44 | N01 | 116.3° | 116.3° |
| C44 | C43 | H63 | 108.9° | 108.9° |
| C44 | C43 | H62 | 108.9° | 108.9° |
| C43 | C44 | H2 | 107.7° | 107.7° |
| C43 | C44 | H1 | 107.7° | 107.7° |
| N01 | C44 | H2 | 107.7° | 107.7° |
| N01 | C44 | H1 | 107.7° | 107.7° |
| H01 | C13 | H02 | 109.5° | 109.5° |
| H01 | C13 | H03 | 109.5° | 109.5° |
| H02 | C13 | H03 | 109.5° | 109.5° |
| H06 | C14 | H04 | 109.5° | 109.5° |
| H06 | C14 | H05 | 109.4° | 109.4° |
| H04 | C14 | H05 | 109.4° | 109.4° |
| H20 | C30 | H22 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H22 | C30 | H21 | 109.4° | 109.4° |
| H23 | C31 | H24 | 109.4° | 109.5° |
| H23 | C31 | H25 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H28 | C32 | H27 | 109.5° | 109.5° |
| H28 | C32 | H26 | 109.5° | 109.5° |
| H27 | C32 | H26 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H29 | C33 | H31 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H34 | C34 | H32 | 109.5° | 109.5° |
| H34 | C34 | H33 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.4° | 109.4° |
| H36 | C36 | H35 | 109.4° | 109.4° |
| H36 | C36 | H37 | 109.5° | 109.5° |
| H35 | C36 | H37 | 109.5° | 109.5° |
| H40 | C37 | H39 | 109.4° | 109.4° |
| H40 | C37 | H38 | 109.5° | 109.5° |
| H39 | C37 | H38 | 109.4° | 109.5° |
| H53 | C07 | H54 | 109.5° | 109.4° |
| H48 | C08 | H47 | 109.5° | 109.5° |
| H50 | C09 | H49 | 109.4° | 109.4° |
| H52 | C38 | H51 | 109.5° | 109.5° |
| H3 | C39 | H56 | 109.5° | 109.5° |
| H57 | C40 | H55 | 109.5° | 109.5° |
| H59 | C41 | H58 | 109.5° | 109.5° |
| H61 | C42 | H60 | 109.5° | 109.5° |
| H63 | C43 | H62 | 109.5° | 109.5° |
| H2 | C44 | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H08 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 132.9° | 132.9° |
| C18 | C17 | C16 | H07 | 180.0° | 180.0° |
| C18 | C17 | C16 | C30 | 69.6° | 69.6° |
| C18 | C17 | C16 | C15 | 86.5° | 86.5° |
| C17 | C18 | C19 | H09 | 47.1° | 47.1° |
| C18 | C19 | C20 | C31 | 115.9° | 115.9° |
| C18 | C19 | C20 | H09 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 117.9° | 117.9° |
| C19 | C18 | C17 | C16 | 41.6° | 41.6° |
| C19 | C18 | C17 | H07 | 138.4° | 138.4° |
| C18 | C19 | C20 | H10 | 0.9° | 0.9° |
| C31 | C20 | C19 | C21 | 126.2° | 126.2° |
| C31 | C20 | C19 | H10 | 116.9° | 116.9° |
| C31 | C20 | C21 | H10 | 124.1° | 124.1° |
| C31 | C20 | C21 | O10 | 148.6° | 148.6° |
| C31 | C20 | C21 | C22 | 25.4° | 25.4° |
| C31 | C20 | C19 | H09 | 64.1° | 64.1° |
| C31 | C20 | C21 | H11 | 94.4° | 94.4° |
| C20 | C31 | H23 | H24 | 120.0° | 120.0° |
| C20 | C31 | H23 | H25 | 120.0° | 120.0° |
| C20 | C31 | H24 | H25 | 120.0° | 120.0° |
| C19 | C20 | C21 | H10 | 116.9° | 116.9° |
| C19 | C20 | C21 | O10 | 92.5° | 92.5° |
| C19 | C20 | C21 | C22 | 144.3° | 144.3° |
| C20 | C19 | C18 | H08 | 47.1° | 47.1° |
| C19 | C20 | C21 | H11 | 24.5° | 24.5° |
| C19 | C20 | C31 | H23 | 180.0° | 180.0° |
| C19 | C20 | C31 | H24 | 60.0° | 60.0° |
| C19 | C20 | C31 | H25 | 60.0° | 60.0° |
| C20 | C21 | C22 | C32 | 52.2° | 52.2° |
| C20 | C21 | O10 | C22 | 128.5° | 128.5° |
| C20 | C21 | O10 | H11 | 115.8° | 115.8° |
| C20 | C21 | C22 | H11 | 119.9° | 119.9° |
| C20 | C21 | C22 | C23 | 172.4° | 172.4° |
| C21 | C20 | C19 | H09 | 62.1° | 62.1° |
| C20 | C21 | C22 | H12 | 69.1° | 69.1° |
| C21 | C20 | C31 | H23 | 60.6° | 60.6° |
| C21 | C20 | C31 | H24 | 59.4° | 59.4° |
| C21 | C20 | C31 | H25 | 179.4° | 179.4° |
| C20 | C21 | O10 | H44 | 180.0° | 180.0° |
| C17 | C16 | C30 | C15 | 155.5° | 155.5° |
| C17 | C16 | C15 | O11 | 6.8° | 6.8° |
| C17 | C16 | C15 | N1 | 172.8° | 172.8° |
| C16 | C17 | C18 | H08 | 138.3° | 138.3° |
| C17 | C16 | C30 | H20 | 180.0° | 180.0° |
| C17 | C16 | C30 | H22 | 60.0° | 60.0° |
| C17 | C16 | C30 | H21 | 60.0° | 60.0° |
| C32 | C22 | C21 | O10 | 71.0° | 71.0° |
| C32 | C22 | C21 | C23 | 120.2° | 120.2° |
| C32 | C22 | C21 | H12 | 121.2° | 121.2° |
| C32 | C22 | C23 | H12 | 119.1° | 119.1° |
| C32 | C22 | C23 | O9 | 118.2° | 118.2° |
| C32 | C22 | C23 | C24 | 118.1° | 118.1° |
| C32 | C22 | C21 | H11 | 172.1° | 172.1° |
| C32 | C22 | C23 | H13 | 1.4° | 1.4° |
| C22 | C32 | H28 | H27 | 120.0° | 120.0° |
| C22 | C32 | H28 | H26 | 120.0° | 120.0° |
| C22 | C32 | H27 | H26 | 120.0° | 120.0° |
| C30 | C16 | C15 | O11 | 162.6° | 162.6° |
| C30 | C16 | C15 | N1 | 17.0° | 17.0° |
| C30 | C16 | C17 | H07 | 110.4° | 110.4° |
| C16 | C30 | H20 | H22 | 120.0° | 120.0° |
| C16 | C30 | H20 | H21 | 120.0° | 120.0° |
| C16 | C30 | H22 | H21 | 120.0° | 120.0° |
| O10 | C21 | C22 | H11 | 117.0° | 117.0° |
| O10 | C21 | C22 | C23 | 49.3° | 49.3° |
| O10 | C21 | C20 | H10 | 24.4° | 24.4° |
| O10 | C21 | C22 | H12 | 167.8° | 167.8° |
| C16 | C15 | O11 | N1 | 179.6° | 179.6° |
| C16 | C15 | N1 | C2 | 179.8° | 179.8° |
| C15 | C16 | C17 | H07 | 93.5° | 93.5° |
| C15 | C16 | C30 | H20 | 24.5° | 24.5° |
| C15 | C16 | C30 | H22 | 144.5° | 144.5° |
| C15 | C16 | C30 | H21 | 95.5° | 95.5° |
| C16 | C15 | N1 | H41 | 0.2° | 0.2° |
| C21 | C22 | C23 | H12 | 118.5° | 118.5° |
| C21 | C22 | C23 | O9 | 4.1° | 4.1° |
| C21 | C22 | C23 | C24 | 119.5° | 119.5° |
| C22 | C21 | C20 | H10 | 98.7° | 98.7° |
| C21 | C22 | C23 | H13 | 121.0° | 121.0° |
| C21 | C22 | C32 | H28 | 180.0° | 180.0° |
| C21 | C22 | C32 | H27 | 60.0° | 60.0° |
| C21 | C22 | C32 | H26 | 60.0° | 60.0° |
| C22 | C21 | O10 | H44 | 51.5° | 51.5° |
| C22 | C23 | O9 | C24 | 128.6° | 128.6° |
| C22 | C23 | O9 | H13 | 115.6° | 115.6° |
| C22 | C23 | C24 | H13 | 119.4° | 119.4° |
| C22 | C23 | C24 | C33 | 45.3° | 45.3° |
| C22 | C23 | C24 | C25 | 168.8° | 168.8° |
| C23 | C22 | C21 | H11 | 67.7° | 67.7° |
| C22 | C23 | C24 | H14 | 73.2° | 73.2° |
| C23 | C22 | C32 | H28 | 59.5° | 59.5° |
| C23 | C22 | C32 | H27 | 179.5° | 179.5° |
| C23 | C22 | C32 | H26 | 60.5° | 60.5° |
| C22 | C23 | O9 | H43 | 180.0° | 180.0° |
| O11 | C15 | N1 | C2 | 0.6° | 0.6° |
| O11 | C15 | N1 | H41 | 179.4° | 179.4° |
| C15 | N1 | C2 | H41 | 180.0° | 180.0° |
| C15 | N1 | C2 | C3 | 107.1° | 107.1° |
| C15 | N1 | C2 | C1 | 73.3° | 73.3° |
| O9 | C23 | C24 | H13 | 117.0° | 117.0° |
| O9 | C23 | C24 | C33 | 168.9° | 168.9° |
| O9 | C23 | C24 | C25 | 67.7° | 67.7° |
| O9 | C23 | C22 | H12 | 122.6° | 122.6° |
| O9 | C23 | C24 | H14 | 50.3° | 50.3° |
| C23 | C24 | C33 | C25 | 121.7° | 121.7° |
| C23 | C24 | C33 | H14 | 118.5° | 118.5° |
| C23 | C24 | C25 | H14 | 118.2° | 118.2° |
| C23 | C24 | C25 | O7 | 118.7° | 118.7° |
| C23 | C24 | C25 | C26 | 115.7° | 115.7° |
| C24 | C23 | C22 | H12 | 1.0° | 1.0° |
| C23 | C24 | C25 | H15 | 1.6° | 1.6° |
| C23 | C24 | C33 | H29 | 180.0° | 180.0° |
| C23 | C24 | C33 | H30 | 60.0° | 60.0° |
| C23 | C24 | C33 | H31 | 60.0° | 60.0° |
| C24 | C23 | O9 | H43 | 51.4° | 51.4° |
| N1 | C2 | C3 | O01 | 0.3° | 0.3° |
| N1 | C2 | C3 | C1 | 179.6° | 179.6° |
| N1 | C2 | C1 | O1 | 0.5° | 0.5° |
| N1 | C2 | C3 | C4 | 179.6° | 179.6° |
| N1 | C2 | C1 | C9 | 179.7° | 179.7° |
| C33 | C24 | C25 | H14 | 120.0° | 120.0° |
| C33 | C24 | C25 | O7 | 3.1° | 3.1° |
| C33 | C24 | C25 | C26 | 122.5° | 122.5° |
| C33 | C24 | C23 | H13 | 74.1° | 74.1° |
| C33 | C24 | C25 | H15 | 120.1° | 120.1° |
| C24 | C33 | H29 | H30 | 120.0° | 120.0° |
| C24 | C33 | H29 | H31 | 120.0° | 120.0° |
| C24 | C33 | H30 | H31 | 120.0° | 120.0° |
| C24 | C25 | O7 | C35 | 92.8° | 92.8° |
| C24 | C25 | O7 | C26 | 127.4° | 127.4° |
| C24 | C25 | O7 | H15 | 115.8° | 115.8° |
| C24 | C25 | C26 | H15 | 117.3° | 117.3° |
| C24 | C25 | C26 | C34 | 93.3° | 93.3° |
| C24 | C25 | C26 | C27 | 144.8° | 144.8° |
| C25 | C24 | C23 | H13 | 49.4° | 49.4° |
| C24 | C25 | C26 | H16 | 25.0° | 25.0° |
| C25 | C24 | C33 | H29 | 58.3° | 58.3° |
| C25 | C24 | C33 | H30 | 178.3° | 178.3° |
| C25 | C24 | C33 | H31 | 61.7° | 61.7° |
| O8 | C35 | C36 | O7 | 175.1° | 175.1° |
| O8 | C35 | O7 | C25 | 32.9° | 32.9° |
| O8 | C35 | C36 | H36 | 0.0° | 0.0° |
| O8 | C35 | C36 | H35 | 120.0° | 120.0° |
| O8 | C35 | C36 | H37 | 120.0° | 120.0° |
| C04 | C03 | C01 | H45 | 180.0° | 180.0° |
| C04 | C03 | C01 | O01 | 180.0° | 180.0° |
| C03 | C04 | C05 | H46 | 180.0° | 180.0° |
| C04 | C03 | C01 | C02 | 0.0° | 0.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C03 | C04 | C05 | H64 | 179.9° | 179.9° |
| C03 | C01 | O01 | C02 | 180.0° | 180.0° |
| C03 | C01 | O01 | C3 | 179.9° | 179.9° |
| C01 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C01 | C02 | C06 | 0.0° | 0.0° |
| C03 | C01 | C02 | N3 | 180.0° | 180.0° |
| C01 | C03 | C04 | H46 | 180.0° | 180.0° |
| C36 | C35 | O7 | C25 | 152.1° | 152.1° |
| C35 | C36 | H36 | H35 | 120.0° | 120.0° |
| C35 | C36 | H36 | H37 | 120.0° | 120.0° |
| C35 | C36 | H35 | H37 | 120.0° | 120.0° |
| C35 | O7 | C25 | C26 | 139.8° | 139.8° |
| C35 | O7 | C25 | H15 | 23.0° | 23.0° |
| O7 | C35 | C36 | H36 | 175.1° | 175.1° |
| O7 | C35 | C36 | H35 | 55.2° | 55.2° |
| O7 | C35 | C36 | H37 | 64.8° | 64.8° |
| C01 | O01 | C3 | C2 | 180.0° | 180.0° |
| C01 | O01 | C3 | C4 | 0.1° | 0.1° |
| O01 | C01 | C02 | C06 | 180.0° | 180.0° |
| O01 | C01 | C02 | N3 | 0.0° | 0.0° |
| O01 | C01 | C03 | H45 | 0.0° | 0.0° |
| O01 | C3 | C2 | C4 | 179.9° | 179.9° |
| O01 | C3 | C2 | C1 | 179.8° | 179.8° |
| C3 | O01 | C01 | C02 | 0.1° | 0.1° |
| O01 | C3 | C4 | N3 | 0.2° | 0.2° |
| O01 | C3 | C4 | C10 | 179.9° | 179.9° |
| C3 | C2 | C1 | O1 | 179.9° | 179.9° |
| C3 | C2 | C1 | C9 | 0.1° | 0.1° |
| C2 | C3 | C4 | N3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C10 | 0.1° | 0.1° |
| C3 | C2 | N1 | H41 | 72.9° | 72.9° |
| C2 | C1 | O1 | C9 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C9 | C10 | 0.1° | 0.1° |
| C2 | C1 | C9 | C8 | 179.9° | 179.9° |
| C1 | C2 | N1 | H41 | 106.7° | 106.7° |
| C04 | C05 | C06 | H64 | 180.0° | 180.0° |
| C04 | C05 | C06 | C02 | 0.1° | 0.1° |
| C04 | C05 | C06 | O | 179.7° | 179.7° |
| C05 | C04 | C03 | H45 | 179.9° | 180.0° |
| O7 | C25 | C26 | H15 | 118.0° | 118.0° |
| O7 | C25 | C26 | C34 | 141.9° | 141.9° |
| O7 | C25 | C26 | C27 | 20.1° | 20.1° |
| O7 | C25 | C24 | H14 | 123.1° | 123.1° |
| O7 | C25 | C26 | H16 | 99.8° | 99.8° |
| C25 | C26 | C34 | C27 | 123.4° | 123.4° |
| C25 | C26 | C34 | H16 | 118.1° | 118.1° |
| C25 | C26 | C27 | H16 | 119.8° | 119.8° |
| C25 | C26 | C27 | O6 | 55.4° | 55.4° |
| C25 | C26 | C27 | C28 | 176.4° | 176.4° |
| C26 | C25 | C24 | H14 | 2.5° | 2.5° |
| C25 | C26 | C27 | H17 | 64.5° | 64.5° |
| C25 | C26 | C34 | H34 | 180.0° | 180.0° |
| C25 | C26 | C34 | H32 | 60.0° | 60.0° |
| C25 | C26 | C34 | H33 | 60.0° | 60.0° |
| O1 | C1 | C9 | C10 | 179.9° | 179.9° |
| O1 | C1 | C9 | C8 | 0.1° | 0.1° |
| C01 | C02 | C06 | C05 | 0.1° | 0.1° |
| C01 | C02 | C06 | N3 | 180.0° | 180.0° |
| C01 | C02 | N3 | C4 | 0.0° | 0.0° |
| C01 | C02 | C06 | O | 179.7° | 179.7° |
| C02 | C01 | C03 | H45 | 179.9° | 180.0° |
| C3 | C4 | N3 | C02 | 0.1° | 0.1° |
| C3 | C4 | N3 | C10 | 179.9° | 179.9° |
| C3 | C4 | C10 | C9 | 0.1° | 0.1° |
| C3 | C4 | C10 | C5 | 180.0° | 180.0° |
| C1 | C9 | C10 | C4 | 0.0° | 0.0° |
| C1 | C9 | C8 | O2 | 0.0° | 0.0° |
| C1 | C9 | C10 | C8 | 180.0° | 180.0° |
| C1 | C9 | C10 | C5 | 179.9° | 179.9° |
| C1 | C9 | C8 | C7 | 179.9° | 179.9° |
| C34 | C26 | C27 | H16 | 118.6° | 118.6° |
| C34 | C26 | C27 | O6 | 66.3° | 66.3° |
| C34 | C26 | C27 | C28 | 54.7° | 54.7° |
| C34 | C26 | C25 | H15 | 24.0° | 24.0° |
| C34 | C26 | C27 | H17 | 173.9° | 173.9° |
| C26 | C34 | H34 | H32 | 120.0° | 120.0° |
| C26 | C34 | H34 | H33 | 120.0° | 120.0° |
| C26 | C34 | H32 | H33 | 120.0° | 120.0° |
| C05 | C06 | C02 | O | 179.7° | 179.7° |
| C05 | C06 | C02 | N3 | 180.0° | 180.0° |
| C05 | C06 | O | C07 | 36.5° | 36.5° |
| C06 | C05 | C04 | H46 | 180.0° | 180.0° |
| C26 | C27 | O6 | C28 | 123.2° | 123.2° |
| C26 | C27 | O6 | H17 | 118.7° | 118.7° |
| C26 | C27 | O6 | C37 | 178.1° | 178.1° |
| C26 | C27 | C28 | H17 | 119.1° | 119.1° |
| C26 | C27 | C28 | C29 | 38.6° | 38.6° |
| C27 | C26 | C25 | H15 | 97.9° | 97.9° |
| C26 | C27 | C28 | H18 | 141.4° | 141.4° |
| C27 | C26 | C34 | H34 | 56.6° | 56.6° |
| C27 | C26 | C34 | H32 | 63.4° | 63.4° |
| C27 | C26 | C34 | H33 | 176.6° | 176.6° |
| C06 | C02 | N3 | C4 | 180.0° | 180.0° |
| C02 | C06 | O | C07 | 143.2° | 143.2° |
| C02 | C06 | C05 | H64 | 179.9° | 179.9° |
| C02 | N3 | C4 | C10 | 180.0° | 180.0° |
| N3 | C02 | C06 | O | 0.3° | 0.3° |
| N3 | C4 | C10 | C9 | 180.0° | 180.0° |
| N3 | C4 | C10 | C5 | 0.1° | 0.1° |
| C4 | C10 | C9 | C5 | 179.9° | 179.9° |
| C4 | C10 | C9 | C8 | 180.0° | 180.0° |
| C4 | C10 | C5 | C6 | 180.0° | 180.0° |
| C4 | C10 | C5 | C11 | 0.4° | 0.4° |
| O2 | C8 | C9 | C10 | 180.0° | 180.0° |
| O2 | C8 | C9 | C7 | 180.0° | 180.0° |
| O2 | C8 | C7 | C6 | 180.0° | 180.0° |
| O2 | C8 | C7 | C14 | 0.1° | 0.1° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C10 | C5 | C6 | 0.1° | 0.1° |
| C9 | C10 | C5 | C11 | 179.5° | 179.5° |
| C8 | C9 | C10 | C5 | 0.1° | 0.1° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C9 | C8 | C7 | C14 | 180.0° | 180.0° |
| C9 | C8 | O2 | H42 | 0.0° | 0.0° |
| C06 | O | C07 | C08 | 155.3° | 155.3° |
| O | C06 | C05 | H64 | 0.2° | 0.2° |
| C06 | O | C07 | H53 | 84.5° | 84.5° |
| C06 | O | C07 | H54 | 35.1° | 35.0° |
| O6 | C27 | C28 | H17 | 119.4° | 119.4° |
| O6 | C27 | C28 | C29 | 160.1° | 160.1° |
| O6 | C27 | C26 | H16 | 175.2° | 175.2° |
| O6 | C27 | C28 | H18 | 19.8° | 19.8° |
| C27 | O6 | C37 | H40 | 180.0° | 180.0° |
| C27 | O6 | C37 | H39 | 60.0° | 60.0° |
| C27 | O6 | C37 | H38 | 60.0° | 60.0° |
| C37 | O6 | C27 | C28 | 54.9° | 54.9° |
| C37 | O6 | C27 | H17 | 63.3° | 63.3° |
| O6 | C37 | H40 | H39 | 120.0° | 120.0° |
| O6 | C37 | H40 | H38 | 120.0° | 120.0° |
| O6 | C37 | H39 | H38 | 120.0° | 120.0° |
| C27 | C28 | C29 | H18 | 180.0° | 180.0° |
| C27 | C28 | C29 | O5 | 173.3° | 173.3° |
| C28 | C27 | C26 | H16 | 63.9° | 63.9° |
| C27 | C28 | C29 | H19 | 6.7° | 6.7° |
| C10 | C5 | C6 | C11 | 179.7° | 179.7° |
| C10 | C5 | C6 | C7 | 0.2° | 0.2° |
| C10 | C5 | C6 | O3 | 179.8° | 179.8° |
| C10 | C5 | C11 | O4 | 18.6° | 18.6° |
| C10 | C5 | C11 | C12 | 162.0° | 162.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C8 | C7 | C6 | C14 | 179.9° | 179.9° |
| C8 | C7 | C6 | O3 | 179.8° | 179.8° |
| C8 | C7 | C14 | H06 | 90.0° | 90.0° |
| C8 | C7 | C14 | H04 | 149.9° | 149.9° |
| C8 | C7 | C14 | H05 | 30.0° | 30.0° |
| C7 | C8 | O2 | H42 | 180.0° | 180.0° |
| O | C07 | C08 | H53 | 120.2° | 120.2° |
| O | C07 | C08 | H54 | 120.2° | 120.3° |
| O | C07 | C08 | C09 | 89.6° | 89.6° |
| O | C07 | H53 | H54 | 119.3° | 119.3° |
| O | C07 | C08 | H48 | 150.2° | 150.2° |
| O | C07 | C08 | H47 | 30.5° | 30.5° |
| C07 | C08 | C09 | H48 | 120.2° | 120.2° |
| C07 | C08 | C09 | H47 | 120.1° | 120.1° |
| C07 | C08 | C09 | C38 | 71.5° | 71.5° |
| C08 | C07 | H53 | H54 | 119.3° | 119.3° |
| C07 | C08 | H48 | H47 | 119.4° | 119.4° |
| C07 | C08 | C09 | H50 | 48.5° | 48.5° |
| C07 | C08 | C09 | H49 | 168.4° | 168.4° |
| C28 | C29 | O5 | H19 | 180.0° | 180.0° |
| C28 | C29 | O5 | C12 | 174.9° | 174.9° |
| C29 | C28 | C27 | H17 | 80.5° | 80.5° |
| C5 | C6 | C7 | O3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C14 | 180.0° | 180.0° |
| C6 | C5 | C11 | O4 | 161.0° | 161.0° |
| C6 | C5 | C11 | C12 | 18.3° | 18.3° |
| C5 | C6 | O3 | C12 | 15.5° | 15.5° |
| C11 | C5 | C6 | C7 | 179.5° | 179.5° |
| C11 | C5 | C6 | O3 | 0.5° | 0.5° |
| C5 | C11 | O4 | C12 | 179.3° | 179.3° |
| C5 | C11 | C12 | O5 | 90.4° | 90.4° |
| C5 | C11 | C12 | O3 | 29.3° | 29.3° |
| C5 | C11 | C12 | C13 | 146.3° | 146.3° |
| C7 | C6 | O3 | C12 | 164.5° | 164.5° |
| C6 | C7 | C14 | H06 | 90.1° | 90.1° |
| C6 | C7 | C14 | H04 | 30.0° | 30.0° |
| C6 | C7 | C14 | H05 | 149.9° | 149.9° |
| C14 | C7 | C6 | O3 | 0.1° | 0.1° |
| C7 | C14 | H06 | H04 | 120.0° | 120.0° |
| C7 | C14 | H06 | H05 | 120.0° | 120.0° |
| C7 | C14 | H04 | H05 | 120.0° | 120.0° |
| C29 | O5 | C12 | C11 | 2.2° | 2.2° |
| C29 | O5 | C12 | O3 | 114.4° | 114.4° |
| C29 | O5 | C12 | C13 | 125.0° | 125.0° |
| O5 | C29 | C28 | H18 | 6.7° | 6.7° |
| C6 | O3 | C12 | C11 | 24.7° | 24.7° |
| C6 | O3 | C12 | O5 | 96.0° | 96.0° |
| C6 | O3 | C12 | C13 | 142.4° | 142.4° |
| C46 | C45 | N03 | H65 | 180.0° | 180.0° |
| C45 | C46 | N | H66 | 180.0° | 180.0° |
| C46 | C45 | N03 | C | 0.3° | 0.3° |
| C45 | C46 | N | C | 0.4° | 0.4° |
| C45 | C46 | N | C40 | 179.5° | 179.5° |
| N03 | C45 | C46 | N | 0.0° | 0.0° |
| C45 | N03 | C | N | 0.6° | 0.6° |
| N03 | C45 | C46 | H66 | 180.0° | 180.0° |
| C45 | N03 | C | H | 179.4° | 179.4° |
| C08 | C09 | C38 | H50 | 120.1° | 120.1° |
| C08 | C09 | C38 | H49 | 120.1° | 120.1° |
| C08 | C09 | C38 | N02 | 157.9° | 157.9° |
| C09 | C08 | C07 | H53 | 30.6° | 30.6° |
| C09 | C08 | C07 | H54 | 150.2° | 150.1° |
| C09 | C08 | H48 | H47 | 119.5° | 119.5° |
| C08 | C09 | H50 | H49 | 119.8° | 119.8° |
| C08 | C09 | C38 | H52 | 81.9° | 81.9° |
| C08 | C09 | C38 | H51 | 37.6° | 37.6° |
| O4 | C11 | C12 | O5 | 90.2° | 90.2° |
| O4 | C11 | C12 | O3 | 150.0° | 150.0° |
| O4 | C11 | C12 | C13 | 33.1° | 33.1° |
| C11 | C12 | O5 | O3 | 116.6° | 116.6° |
| C11 | C12 | O5 | C13 | 122.9° | 122.9° |
| C11 | C12 | O3 | C13 | 117.7° | 117.7° |
| C11 | C12 | C13 | H01 | 180.0° | 180.0° |
| C11 | C12 | C13 | H02 | 60.0° | 60.0° |
| C11 | C12 | C13 | H03 | 60.0° | 60.0° |
| C46 | N | C | N03 | 0.6° | 0.6° |
| C46 | N | C | C40 | 179.1° | 179.1° |
| C46 | N | C40 | C39 | 140.4° | 140.4° |
| C46 | N | C40 | H57 | 99.0° | 99.0° |
| C46 | N | C40 | H55 | 19.8° | 19.8° |
| N | C46 | C45 | H65 | 180.0° | 180.0° |
| C46 | N | C | H | 179.4° | 179.4° |
| O5 | C12 | O3 | C13 | 121.5° | 121.5° |
| O5 | C12 | C13 | H01 | 56.0° | 56.0° |
| O5 | C12 | C13 | H02 | 176.0° | 176.0° |
| O5 | C12 | C13 | H03 | 64.0° | 64.0° |
| C12 | O5 | C29 | H19 | 5.2° | 5.2° |
| N03 | C | N | H | 180.0° | 180.0° |
| N03 | C | N | C40 | 179.7° | 179.7° |
| C | N03 | C45 | H65 | 179.7° | 179.7° |
| O3 | C12 | C13 | H01 | 65.4° | 65.4° |
| O3 | C12 | C13 | H02 | 54.6° | 54.6° |
| O3 | C12 | C13 | H03 | 174.6° | 174.6° |
| C12 | C13 | H01 | H02 | 120.0° | 120.0° |
| C12 | C13 | H01 | H03 | 120.0° | 120.0° |
| C12 | C13 | H02 | H03 | 120.0° | 120.0° |
| C09 | C38 | N02 | H52 | 120.3° | 120.3° |
| C09 | C38 | N02 | H51 | 120.2° | 120.2° |
| C09 | C38 | N02 | C42 | 134.5° | 134.5° |
| C09 | C38 | N02 | C43 | 84.8° | 84.8° |
| C38 | C09 | C08 | H48 | 168.3° | 168.3° |
| C38 | C09 | C08 | H47 | 48.6° | 48.6° |
| C38 | C09 | H50 | H49 | 119.8° | 119.8° |
| C09 | C38 | H52 | H51 | 119.3° | 119.3° |
| C | N | C40 | C39 | 40.6° | 40.6° |
| C | N | C40 | H57 | 79.9° | 79.9° |
| C | N | C40 | H55 | 161.2° | 161.2° |
| C | N | C46 | H66 | 179.6° | 179.6° |
| N | C40 | C39 | H57 | 120.6° | 120.6° |
| N | C40 | C39 | H55 | 120.6° | 120.6° |
| N | C40 | C39 | N01 | 98.9° | 98.9° |
| N | C40 | C39 | H3 | 21.3° | 21.2° |
| N | C40 | C39 | H56 | 141.0° | 141.0° |
| N | C40 | H57 | H55 | 118.3° | 118.3° |
| C40 | N | C46 | H66 | 0.5° | 0.5° |
| C40 | N | C | H | 0.3° | 0.3° |
| C38 | N02 | C42 | C43 | 143.6° | 143.6° |
| C38 | N02 | C42 | C41 | 160.3° | 160.3° |
| C38 | N02 | C43 | C44 | 152.8° | 152.8° |
| N02 | C38 | C09 | H50 | 37.8° | 37.8° |
| N02 | C38 | C09 | H49 | 82.0° | 82.0° |
| N02 | C38 | H52 | H51 | 119.3° | 119.3° |
| C38 | N02 | C42 | H61 | 79.0° | 79.0° |
| C38 | N02 | C42 | H60 | 39.6° | 39.6° |
| C38 | N02 | C43 | H63 | 32.5° | 32.5° |
| C38 | N02 | C43 | H62 | 86.9° | 86.9° |
| C40 | C39 | N01 | C41 | 55.9° | 55.9° |
| C40 | C39 | N01 | H3 | 120.1° | 120.1° |
| C40 | C39 | N01 | H56 | 120.1° | 120.1° |
| C40 | C39 | N01 | C44 | 97.8° | 97.8° |
| C40 | C39 | H3 | H56 | 119.7° | 119.7° |
| C39 | C40 | H57 | H55 | 118.2° | 118.2° |
| N02 | C42 | C41 | H61 | 120.7° | 120.7° |
| N02 | C42 | C41 | H60 | 120.7° | 120.7° |
| N02 | C42 | C41 | N01 | 9.2° | 9.2° |
| C42 | N02 | C43 | C44 | 60.3° | 60.3° |
| C42 | N02 | C38 | H52 | 105.2° | 105.2° |
| C42 | N02 | C38 | H51 | 14.3° | 14.3° |
| N02 | C42 | C41 | H59 | 130.0° | 130.0° |
| N02 | C42 | C41 | H58 | 111.7° | 111.7° |
| N02 | C42 | H61 | H60 | 117.9° | 117.9° |
| C42 | N02 | C43 | H63 | 179.4° | 179.4° |
| C42 | N02 | C43 | H62 | 60.0° | 60.0° |
| C41 | C42 | N02 | C43 | 56.1° | 56.1° |
| C42 | C41 | N01 | H59 | 120.9° | 120.9° |
| C42 | C41 | N01 | H58 | 120.9° | 120.9° |
| C42 | C41 | N01 | C39 | 120.2° | 120.2° |
| C42 | C41 | N01 | C44 | 34.8° | 34.8° |
| C42 | C41 | H59 | H58 | 117.3° | 117.3° |
| C41 | C42 | H61 | H60 | 117.9° | 117.9° |
| N02 | C43 | C44 | H63 | 120.3° | 120.3° |
| N02 | C43 | C44 | H62 | 120.3° | 120.3° |
| N02 | C43 | C44 | N01 | 18.1° | 18.1° |
| C43 | N02 | C38 | H52 | 35.5° | 35.5° |
| C43 | N02 | C38 | H51 | 155.0° | 155.0° |
| C43 | N02 | C42 | H61 | 64.6° | 64.6° |
| C43 | N02 | C42 | H60 | 176.7° | 176.7° |
| N02 | C43 | H63 | H62 | 119.1° | 119.1° |
| N02 | C43 | C44 | H2 | 102.9° | 102.9° |
| N02 | C43 | C44 | H1 | 139.1° | 139.1° |
| C41 | N01 | C39 | C44 | 153.7° | 153.7° |
| C41 | N01 | C44 | C43 | 30.0° | 30.0° |
| C41 | N01 | C39 | H3 | 64.2° | 64.2° |
| C41 | N01 | C39 | H56 | 176.1° | 176.1° |
| N01 | C41 | H59 | H58 | 117.3° | 117.3° |
| N01 | C41 | C42 | H61 | 111.5° | 111.5° |
| N01 | C41 | C42 | H60 | 129.8° | 129.8° |
| C41 | N01 | C44 | H2 | 151.0° | 151.0° |
| C41 | N01 | C44 | H1 | 91.0° | 91.0° |
| C39 | N01 | C44 | C43 | 123.8° | 123.8° |
| N01 | C39 | H3 | H56 | 119.6° | 119.6° |
| N01 | C39 | C40 | H57 | 140.6° | 140.6° |
| N01 | C39 | C40 | H55 | 21.7° | 21.7° |
| C39 | N01 | C41 | H59 | 119.0° | 119.0° |
| C39 | N01 | C41 | H58 | 0.7° | 0.7° |
| C39 | N01 | C44 | H2 | 2.8° | 2.8° |
| C39 | N01 | C44 | H1 | 115.2° | 115.2° |
| C43 | C44 | N01 | H2 | 121.0° | 121.0° |
| C43 | C44 | N01 | H1 | 121.0° | 121.0° |
| C44 | C43 | H63 | H62 | 119.0° | 119.0° |
| C43 | C44 | H2 | H1 | 116.9° | 116.9° |
| C44 | N01 | C39 | H3 | 142.1° | 142.2° |
| C44 | N01 | C39 | H56 | 22.4° | 22.4° |
| C44 | N01 | C41 | H59 | 86.0° | 86.0° |
| C44 | N01 | C41 | H58 | 155.7° | 155.7° |
| N01 | C44 | C43 | H63 | 138.4° | 138.4° |
| N01 | C44 | C43 | H62 | 102.2° | 102.2° |
| N01 | C44 | H2 | H1 | 116.9° | 116.9° |
| H01 | C13 | H02 | H03 | 120.0° | 120.0° |
| H06 | C14 | H04 | H05 | 120.0° | 120.0° |
| H07 | C17 | C18 | H08 | 41.7° | 41.7° |
| H08 | C18 | C19 | H09 | 132.9° | 132.9° |
| H09 | C19 | C20 | H10 | 179.1° | 179.1° |
| H10 | C20 | C21 | H11 | 141.4° | 141.4° |
| H10 | C20 | C31 | H23 | 63.4° | 63.4° |
| H10 | C20 | C31 | H24 | 176.7° | 176.6° |
| H10 | C20 | C31 | H25 | 56.6° | 56.6° |
| H11 | C21 | C22 | H12 | 50.8° | 50.8° |
| H11 | C21 | O10 | H44 | 64.2° | 64.2° |
| H12 | C22 | C23 | H13 | 120.5° | 120.5° |
| H12 | C22 | C32 | H28 | 59.2° | 59.2° |
| H12 | C22 | C32 | H27 | 60.8° | 60.8° |
| H12 | C22 | C32 | H26 | 179.2° | 179.2° |
| H13 | C23 | C24 | H14 | 167.4° | 167.4° |
| H13 | C23 | O9 | H43 | 64.5° | 64.5° |
| H14 | C24 | C25 | H15 | 119.8° | 119.8° |
| H14 | C24 | C33 | H29 | 61.5° | 61.5° |
| H14 | C24 | C33 | H30 | 58.5° | 58.5° |
| H14 | C24 | C33 | H31 | 178.5° | 178.5° |
| H15 | C25 | C26 | H16 | 142.3° | 142.3° |
| H16 | C26 | C27 | H17 | 55.3° | 55.3° |
| H16 | C26 | C34 | H34 | 61.9° | 61.9° |
| H16 | C26 | C34 | H32 | 178.1° | 178.1° |
| H16 | C26 | C34 | H33 | 58.1° | 58.1° |
| H17 | C27 | C28 | H18 | 99.5° | 99.5° |
| H18 | C28 | C29 | H19 | 173.3° | 173.3° |
| H20 | C30 | H22 | H21 | 120.0° | 120.0° |
| H23 | C31 | H24 | H25 | 120.0° | 120.0° |
| H28 | C32 | H27 | H26 | 120.0° | 120.0° |
| H29 | C33 | H30 | H31 | 120.0° | 120.0° |
| H34 | C34 | H32 | H33 | 120.0° | 120.0° |
| H36 | C36 | H35 | H37 | 120.0° | 120.0° |
| H40 | C37 | H39 | H38 | 120.0° | 120.0° |
| H45 | C03 | C04 | H46 | 0.0° | 0.0° |
| H46 | C04 | C05 | H64 | 0.1° | 0.1° |
| H53 | C07 | C08 | H48 | 89.6° | 89.6° |
| H53 | C07 | C08 | H47 | 150.7° | 150.8° |
| H54 | C07 | C08 | H48 | 30.0° | 29.9° |
| H54 | C07 | C08 | H47 | 89.7° | 89.7° |
| H48 | C08 | C09 | H50 | 71.6° | 71.6° |
| H48 | C08 | C09 | H49 | 48.2° | 48.2° |
| H47 | C08 | C09 | H50 | 168.7° | 168.7° |
| H47 | C08 | C09 | H49 | 71.5° | 71.5° |
| H50 | C09 | C38 | H52 | 158.0° | 158.0° |
| H50 | C09 | C38 | H51 | 82.4° | 82.4° |
| H49 | C09 | C38 | H52 | 38.2° | 38.2° |
| H49 | C09 | C38 | H51 | 157.7° | 157.7° |
| H3 | C39 | C40 | H57 | 99.3° | 99.3° |
| H3 | C39 | C40 | H55 | 141.8° | 141.8° |
| H56 | C39 | C40 | H57 | 20.5° | 20.5° |
| H56 | C39 | C40 | H55 | 98.4° | 98.4° |
| H59 | C41 | C42 | H61 | 9.3° | 9.3° |
| H59 | C41 | C42 | H60 | 109.3° | 109.3° |
| H58 | C41 | C42 | H61 | 127.6° | 127.6° |
| H58 | C41 | C42 | H60 | 9.0° | 9.0° |
| H63 | C43 | C44 | H2 | 17.4° | 17.4° |
| H63 | C43 | C44 | H1 | 100.6° | 100.6° |
| H62 | C43 | C44 | H2 | 136.8° | 136.8° |
| H62 | C43 | C44 | H1 | 18.8° | 18.8° |
| H65 | C45 | C46 | H66 | 0.1° | 0.1° |
