0LG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.50Å | |
| C44 | C40 | sing | 1.51Å | 1.49Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | O34 | sing | 1.43Å | 1.46Å | |
| C36 | C33 | doub | 1.31Å | 1.32Å | |
| O34 | C22 | sing | 1.43Å | 1.46Å | |
| C22 | C17 | sing | 1.53Å | 1.55Å | |
| O21 | C18 | sing | 1.43Å | 1.45Å | |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | N16 | sing | 1.49Å | 1.48Å | |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| N16 | C8 | sing | 1.38Å | 1.32Å | |
| C25 | C27 | sing | 1.51Å | 1.48Å | |
| C25 | N23 | sing | 1.48Å | 1.47Å | |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | N20 | sing | 1.47Å | 1.45Å | |
| C38 | C43 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | C37 | sing | 1.51Å | 1.52Å | |
| O15 | C8 | doub | 1.22Å | 1.22Å | |
| N23 | C9 | sing | 1.37Å | 1.31Å | |
| C8 | C4 | sing | 1.48Å | 1.50Å | |
| N20 | C37 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C2 | sing | 1.49Å | 1.50Å | |
| C9 | O24 | doub | 1.22Å | 1.24Å | |
| C2 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N7 | sing | 1.40Å | 1.44Å | |
| C10 | N7 | sing | 1.46Å | 1.47Å | |
| N7 | S11 | sing | 1.66Å | 1.65Å | |
| C12 | S11 | sing | 1.81Å | 1.72Å | |
| O13 | S11 | doub | 1.42Å | 1.41Å | |
| S11 | O14 | doub | 1.42Å | 1.40Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| N16 | H10 | sing | 0.97Å | 1.00Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| N20 | H15 | sing | 1.01Å | 1.00Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.08Å | 1.08Å | |
| C44 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| C45 | H22 | sing | 1.09Å | 1.10Å | |
| C45 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C46 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.08Å | 1.08Å | |
| C42 | H28 | sing | 1.08Å | 1.08Å | |
| C43 | H29 | sing | 1.08Å | 1.08Å | |
| O21 | H30 | sing | 0.97Å | 0.95Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C33 | H36 | sing | 1.08Å | 1.08Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| N23 | H40 | sing | 0.97Å | 1.00Å | |
| C28 | H41 | sing | 1.08Å | 1.08Å | |
| C29 | H42 | sing | 1.08Å | 1.08Å | |
| C30 | H43 | sing | 1.08Å | 1.08Å | |
| C31 | H44 | sing | 1.08Å | 1.08Å | |
| C32 | H45 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | C44 | C45 | 111.7° | 109.4° |
| C46 | C44 | C40 | 111.3° | 109.5° |
| C46 | C44 | H20 | 107.4° | 109.5° |
| C44 | C46 | H24 | 109.5° | 109.5° |
| C44 | C46 | H25 | 109.5° | 109.4° |
| C44 | C46 | H26 | 109.5° | 109.5° |
| C45 | C44 | C40 | 111.1° | 109.5° |
| C45 | C44 | H20 | 107.5° | 109.5° |
| C44 | C45 | H21 | 109.5° | 109.5° |
| C44 | C45 | H22 | 109.5° | 109.5° |
| C44 | C45 | H23 | 109.5° | 109.5° |
| C44 | C40 | C41 | 123.4° | 120.0° |
| C44 | C40 | C39 | 117.3° | 120.0° |
| C40 | C44 | H20 | 107.6° | 109.5° |
| C36 | C35 | O34 | 113.6° | 109.4° |
| C35 | C36 | C33 | 126.6° | 120.0° |
| C36 | C35 | H33 | 108.4° | 109.5° |
| C36 | C35 | H34 | 108.4° | 109.5° |
| C35 | C36 | H35 | 116.7° | 119.5° |
| C35 | O34 | C22 | 115.3° | 114.7° |
| O34 | C35 | H33 | 108.5° | 109.5° |
| O34 | C35 | H34 | 108.4° | 109.5° |
| C36 | C33 | C26 | 116.4° | 120.5° |
| C33 | C36 | H35 | 116.7° | 120.4° |
| C36 | C33 | H36 | 121.8° | 119.8° |
| O34 | C22 | C17 | 111.7° | 109.5° |
| O34 | C22 | H31 | 108.9° | 109.4° |
| O34 | C22 | H32 | 108.9° | 109.5° |
| C22 | C17 | C18 | 110.9° | 109.8° |
| C22 | C17 | N16 | 107.0° | 107.9° |
| C22 | C17 | H11 | 109.3° | 109.8° |
| C17 | C22 | H31 | 108.9° | 109.5° |
| C17 | C22 | H32 | 108.9° | 109.5° |
| O21 | C18 | C17 | 109.3° | 109.5° |
| O21 | C18 | C19 | 108.0° | 109.5° |
| O21 | C18 | H12 | 110.3° | 109.5° |
| C18 | O21 | H30 | 109.5° | 114.0° |
| C41 | C40 | C39 | 119.2° | 120.0° |
| C40 | C41 | C42 | 118.9° | 120.0° |
| C40 | C41 | H27 | 120.5° | 120.0° |
| C40 | C39 | C38 | 121.7° | 120.0° |
| C40 | C39 | H19 | 119.1° | 120.0° |
| C33 | C26 | C25 | 109.7° | 109.0° |
| C26 | C33 | H36 | 121.8° | 119.7° |
| C33 | C26 | H37 | 109.4° | 109.6° |
| C33 | C26 | H38 | 109.4° | 109.6° |
| C26 | C25 | C27 | 112.1° | 109.9° |
| C26 | C25 | N23 | 104.1° | 107.7° |
| C25 | C26 | H37 | 109.4° | 109.6° |
| C25 | C26 | H38 | 109.4° | 109.5° |
| C26 | C25 | H39 | 108.2° | 109.8° |
| C41 | C42 | C43 | 122.3° | 120.0° |
| C42 | C41 | H27 | 120.5° | 120.0° |
| C41 | C42 | H28 | 118.8° | 120.0° |
| C18 | C17 | N16 | 109.9° | 109.8° |
| C17 | C18 | C19 | 111.0° | 109.5° |
| C18 | C17 | H11 | 109.4° | 109.8° |
| C17 | C18 | H12 | 108.9° | 109.5° |
| C17 | N16 | C8 | 126.6° | 114.6° |
| C17 | N16 | H10 | 116.7° | 122.8° |
| N16 | C17 | H11 | 110.3° | 109.8° |
| C39 | C38 | C43 | 120.4° | 120.0° |
| C39 | C38 | C37 | 119.4° | 120.0° |
| C38 | C39 | H19 | 119.2° | 120.0° |
| C18 | C19 | N20 | 112.9° | 109.4° |
| C19 | C18 | H12 | 109.3° | 109.4° |
| C18 | C19 | H13 | 108.6° | 109.5° |
| C18 | C19 | H14 | 108.6° | 109.4° |
| C42 | C43 | C38 | 117.5° | 120.0° |
| C43 | C42 | H28 | 118.8° | 120.0° |
| C42 | C43 | H29 | 121.3° | 120.0° |
| C29 | C28 | C27 | 118.3° | 120.0° |
| C28 | C29 | C30 | 120.9° | 120.0° |
| C29 | C28 | H41 | 120.9° | 120.0° |
| C28 | C29 | H42 | 119.6° | 120.0° |
| C28 | C27 | C25 | 123.3° | 120.0° |
| C28 | C27 | C32 | 120.7° | 120.0° |
| C27 | C28 | H41 | 120.9° | 120.0° |
| N16 | C8 | O15 | 125.5° | 122.4° |
| N16 | C8 | C4 | 112.3° | 115.2° |
| C8 | N16 | H10 | 116.7° | 122.7° |
| C27 | C25 | N23 | 114.2° | 109.8° |
| C25 | C27 | C32 | 116.0° | 120.0° |
| C27 | C25 | H39 | 108.9° | 109.8° |
| C25 | N23 | C9 | 124.8° | 116.7° |
| N23 | C25 | H39 | 109.2° | 109.8° |
| C25 | N23 | H40 | 117.6° | 121.7° |
| C29 | C30 | C31 | 121.3° | 120.0° |
| C30 | C29 | H42 | 119.6° | 120.0° |
| C29 | C30 | H43 | 119.4° | 120.0° |
| C27 | C32 | C31 | 121.3° | 120.0° |
| C27 | C32 | H45 | 119.3° | 120.0° |
| C19 | N20 | C37 | 118.0° | 111.0° |
| N20 | C19 | H13 | 108.6° | 109.5° |
| N20 | C19 | H14 | 108.6° | 109.5° |
| C19 | N20 | H15 | 107.3° | 111.0° |
| C43 | C38 | C37 | 120.2° | 120.0° |
| C38 | C43 | H29 | 121.3° | 120.0° |
| C38 | C37 | N20 | 112.7° | 109.5° |
| C38 | C37 | H17 | 108.7° | 109.5° |
| C38 | C37 | H18 | 108.6° | 109.4° |
| O15 | C8 | C4 | 122.2° | 122.4° |
| N23 | C9 | C2 | 118.5° | 114.5° |
| N23 | C9 | O24 | 123.8° | 122.7° |
| C9 | N23 | H40 | 117.6° | 121.6° |
| C8 | C4 | C3 | 119.2° | 117.9° |
| C8 | C4 | C5 | 120.6° | 122.0° |
| C37 | N20 | H15 | 107.3° | 111.0° |
| N20 | C37 | H17 | 108.7° | 109.5° |
| N20 | C37 | H18 | 108.6° | 109.5° |
| C30 | C31 | C32 | 117.6° | 120.0° |
| C31 | C30 | H43 | 119.3° | 120.0° |
| C30 | C31 | H44 | 121.2° | 120.0° |
| C32 | C31 | H44 | 121.2° | 120.0° |
| C31 | C32 | H45 | 119.3° | 120.0° |
| C4 | C3 | C2 | 120.4° | 119.7° |
| C3 | C4 | C5 | 120.2° | 120.1° |
| C4 | C3 | H9 | 119.8° | 120.1° |
| C3 | C2 | C9 | 117.8° | 117.4° |
| C3 | C2 | C1 | 120.6° | 120.3° |
| C2 | C3 | H9 | 119.8° | 120.2° |
| C4 | C5 | C6 | 118.6° | 119.9° |
| C4 | C5 | H8 | 120.7° | 120.0° |
| C2 | C9 | O24 | 117.4° | 122.8° |
| C9 | C2 | C1 | 121.5° | 122.3° |
| C2 | C1 | C6 | 119.6° | 119.8° |
| C2 | C1 | H7 | 120.2° | 120.1° |
| C5 | C6 | C1 | 120.6° | 120.3° |
| C5 | C6 | N7 | 115.7° | 119.8° |
| C6 | C5 | H8 | 120.7° | 120.1° |
| C1 | C6 | N7 | 123.7° | 119.9° |
| C6 | C1 | H7 | 120.2° | 120.1° |
| C6 | N7 | C10 | 113.3° | 120.0° |
| C6 | N7 | S11 | 119.4° | 120.0° |
| C10 | N7 | S11 | 115.9° | 120.0° |
| N7 | C10 | H4 | 109.5° | 109.5° |
| N7 | C10 | H5 | 109.4° | 109.5° |
| N7 | C10 | H6 | 109.5° | 109.4° |
| N7 | S11 | C12 | 109.9° | 104.5° |
| N7 | S11 | O13 | 110.4° | 104.3° |
| N7 | S11 | O14 | 104.3° | 104.2° |
| C12 | S11 | O13 | 113.4° | 110.6° |
| C12 | S11 | O14 | 106.5° | 110.5° |
| S11 | C12 | H1 | 109.5° | 109.5° |
| S11 | C12 | H2 | 109.5° | 109.5° |
| S11 | C12 | H3 | 109.5° | 109.5° |
| O13 | S11 | O14 | 111.9° | 121.0° |
| H1 | C12 | H2 | 109.4° | 109.5° |
| H1 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H17 | C37 | H18 | 109.5° | 109.5° |
| H21 | C45 | H22 | 109.4° | 109.4° |
| H21 | C45 | H23 | 109.5° | 109.4° |
| H22 | C45 | H23 | 109.5° | 109.4° |
| H24 | C46 | H25 | 109.5° | 109.5° |
| H24 | C46 | H26 | 109.5° | 109.5° |
| H25 | C46 | H26 | 109.5° | 109.4° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H33 | C35 | H34 | 109.5° | 109.5° |
| H37 | C26 | H38 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C46 | C44 | C45 | C40 | 125.0° | 120.0° |
| C46 | C44 | C45 | H20 | 117.5° | 120.0° |
| C46 | C44 | C40 | H20 | 117.4° | 120.0° |
| C46 | C44 | C40 | C41 | 14.8° | 60.0° |
| C46 | C44 | C40 | C39 | 162.3° | 120.0° |
| C46 | C44 | C45 | H21 | 180.0° | 60.0° |
| C46 | C44 | C45 | H22 | 60.0° | 180.0° |
| C46 | C44 | C45 | H23 | 60.0° | 60.0° |
| C44 | C46 | H24 | H25 | 120.0° | 120.0° |
| C44 | C46 | H24 | H26 | 120.0° | 120.0° |
| C44 | C46 | H25 | H26 | 120.0° | 119.9° |
| C45 | C44 | C40 | H20 | 117.4° | 120.0° |
| C45 | C44 | C40 | C41 | 110.4° | 60.0° |
| C45 | C44 | C40 | C39 | 72.6° | 120.0° |
| C44 | C45 | H21 | H22 | 120.0° | 120.0° |
| C44 | C45 | H21 | H23 | 120.0° | 120.1° |
| C44 | C45 | H22 | H23 | 120.0° | 120.0° |
| C45 | C44 | C46 | H24 | 180.0° | 60.0° |
| C45 | C44 | C46 | H25 | 60.0° | 180.0° |
| C45 | C44 | C46 | H26 | 60.0° | 60.1° |
| C44 | C40 | C41 | C39 | 177.0° | 180.0° |
| C44 | C40 | C41 | C42 | 177.6° | 180.0° |
| C44 | C40 | C39 | C38 | 177.9° | 180.0° |
| C44 | C40 | C39 | H19 | 2.1° | 0.0° |
| C40 | C44 | C45 | H21 | 55.0° | 180.0° |
| C40 | C44 | C45 | H22 | 65.0° | 60.0° |
| C40 | C44 | C45 | H23 | 175.0° | 60.0° |
| C40 | C44 | C46 | H24 | 55.1° | 60.0° |
| C40 | C44 | C46 | H25 | 175.2° | 60.1° |
| C40 | C44 | C46 | H26 | 64.9° | 180.0° |
| C44 | C40 | C41 | H27 | 2.4° | 0.0° |
| C36 | C35 | O34 | H33 | 120.6° | 120.0° |
| C36 | C35 | O34 | H34 | 120.6° | 120.0° |
| C35 | C36 | C33 | H35 | 180.0° | 179.8° |
| C36 | C35 | O34 | C22 | 159.1° | 164.5° |
| C35 | C36 | C33 | C26 | 179.9° | 179.5° |
| C36 | C35 | H33 | H34 | 118.1° | 120.1° |
| C35 | C36 | C33 | H36 | 0.1° | 0.7° |
| O34 | C35 | C36 | C33 | 119.4° | 106.1° |
| C35 | O34 | C22 | C17 | 150.0° | 143.7° |
| C35 | O34 | C22 | H31 | 89.7° | 23.7° |
| C35 | O34 | C22 | H32 | 29.7° | 96.2° |
| O34 | C35 | H33 | H34 | 118.1° | 120.0° |
| O34 | C35 | C36 | H35 | 60.6° | 73.7° |
| C36 | C33 | C26 | H36 | 180.0° | 179.9° |
| C36 | C33 | C26 | C25 | 130.8° | 137.1° |
| C33 | C36 | C35 | H33 | 119.9° | 13.8° |
| C33 | C36 | C35 | H34 | 1.2° | 133.9° |
| C36 | C33 | C26 | H37 | 109.2° | 103.0° |
| C36 | C33 | C26 | H38 | 10.7° | 17.3° |
| O34 | C22 | C17 | H31 | 120.3° | 119.9° |
| O34 | C22 | C17 | H32 | 120.3° | 120.0° |
| O34 | C22 | C17 | C18 | 161.1° | 175.3° |
| O34 | C22 | C17 | N16 | 41.3° | 65.1° |
| O34 | C22 | C17 | H11 | 78.2° | 54.5° |
| O34 | C22 | H31 | H32 | 119.0° | 120.0° |
| C22 | O34 | C35 | H33 | 80.3° | 44.5° |
| C22 | O34 | C35 | H34 | 38.4° | 75.5° |
| C22 | C17 | C18 | O21 | 59.1° | 53.3° |
| C22 | C17 | C18 | N16 | 118.1° | 118.4° |
| C22 | C17 | C18 | H11 | 120.7° | 120.8° |
| C22 | C17 | N16 | H11 | 118.8° | 119.6° |
| C22 | C17 | C18 | C19 | 178.2° | 66.7° |
| C22 | C17 | N16 | C8 | 138.8° | 165.8° |
| C22 | C17 | N16 | H10 | 41.2° | 14.1° |
| C22 | C17 | C18 | H12 | 61.5° | 173.3° |
| C17 | C22 | H31 | H32 | 119.0° | 120.1° |
| O21 | C18 | C17 | C19 | 119.1° | 120.0° |
| O21 | C18 | C17 | H12 | 120.6° | 120.0° |
| O21 | C18 | C17 | N16 | 177.2° | 65.1° |
| O21 | C18 | C19 | H12 | 120.0° | 120.0° |
| O21 | C18 | C19 | N20 | 51.3° | 65.5° |
| O21 | C18 | C17 | H11 | 61.6° | 174.1° |
| O21 | C18 | C19 | H13 | 171.8° | 174.5° |
| O21 | C18 | C19 | H14 | 69.2° | 54.5° |
| C40 | C41 | C42 | H27 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 0.7° | 0.0° |
| C40 | C41 | C42 | C43 | 0.5° | 0.1° |
| C41 | C40 | C39 | H19 | 179.3° | 180.0° |
| C41 | C40 | C44 | H20 | 132.1° | 180.0° |
| C40 | C41 | C42 | H28 | 179.4° | 180.0° |
| C39 | C40 | C41 | C42 | 0.6° | 0.1° |
| C40 | C39 | C38 | H19 | 180.0° | 180.0° |
| C40 | C39 | C38 | C43 | 0.4° | 0.0° |
| C40 | C39 | C38 | C37 | 179.7° | 179.7° |
| C39 | C40 | C44 | H20 | 44.9° | 0.0° |
| C39 | C40 | C41 | H27 | 179.3° | 180.0° |
| C33 | C26 | C25 | H37 | 120.0° | 119.8° |
| C33 | C26 | C25 | H38 | 120.1° | 119.9° |
| C33 | C26 | C25 | C27 | 179.6° | 145.8° |
| C33 | C26 | C25 | N23 | 56.5° | 26.2° |
| C26 | C33 | C36 | H35 | 0.1° | 0.7° |
| C33 | C26 | H37 | H38 | 119.9° | 120.3° |
| C33 | C26 | C25 | H39 | 59.5° | 93.3° |
| C26 | C25 | C27 | C28 | 68.0° | 80.2° |
| C26 | C25 | C27 | N23 | 118.0° | 118.3° |
| C26 | C25 | C27 | H39 | 119.6° | 120.8° |
| C26 | C25 | N23 | H39 | 115.3° | 119.5° |
| C26 | C25 | C27 | C32 | 112.2° | 100.0° |
| C26 | C25 | N23 | C9 | 148.2° | 176.2° |
| C25 | C26 | C33 | H36 | 49.2° | 42.7° |
| C25 | C26 | H37 | H38 | 119.9° | 120.2° |
| C26 | C25 | N23 | H40 | 31.8° | 4.3° |
| C41 | C42 | C43 | H28 | 180.0° | 179.9° |
| C41 | C42 | C43 | C38 | 1.6° | 0.1° |
| C41 | C42 | C43 | H29 | 178.4° | 179.7° |
| C18 | C17 | N16 | H11 | 120.7° | 120.8° |
| C17 | C18 | C19 | H12 | 120.2° | 120.0° |
| C18 | C17 | N16 | C8 | 100.7° | 74.6° |
| C17 | C18 | C19 | N20 | 171.2° | 174.5° |
| C18 | C17 | N16 | H10 | 79.3° | 105.5° |
| C17 | C18 | C19 | H13 | 68.3° | 54.5° |
| C17 | C18 | C19 | H14 | 50.7° | 65.5° |
| C17 | C18 | O21 | H30 | 180.0° | 60.0° |
| C18 | C17 | C22 | H31 | 78.6° | 64.7° |
| C18 | C17 | C22 | H32 | 40.8° | 55.3° |
| N16 | C17 | C18 | C19 | 63.8° | 174.9° |
| C17 | N16 | C8 | H10 | 180.0° | 180.0° |
| C17 | N16 | C8 | O15 | 5.9° | 32.0° |
| C17 | N16 | C8 | C4 | 175.2° | 148.0° |
| N16 | C17 | C18 | H12 | 56.6° | 54.9° |
| N16 | C17 | C22 | H31 | 161.6° | 54.9° |
| N16 | C17 | C22 | H32 | 79.0° | 174.9° |
| C39 | C38 | C43 | C42 | 1.5° | 0.1° |
| C39 | C38 | C43 | C37 | 179.9° | 179.7° |
| C39 | C38 | C37 | N20 | 60.4° | 89.7° |
| C39 | C38 | C37 | H17 | 179.1° | 150.3° |
| C39 | C38 | C37 | H18 | 60.1° | 30.3° |
| C39 | C38 | C43 | H29 | 178.5° | 179.7° |
| C18 | C19 | N20 | H13 | 120.5° | 120.0° |
| C18 | C19 | N20 | H14 | 120.5° | 120.0° |
| C18 | C19 | N20 | C37 | 161.3° | 180.0° |
| C19 | C18 | C17 | H11 | 57.5° | 54.1° |
| C18 | C19 | H13 | H14 | 118.5° | 120.0° |
| C18 | C19 | N20 | H15 | 40.1° | 56.1° |
| C19 | C18 | O21 | H30 | 59.0° | 60.0° |
| C42 | C43 | C38 | H29 | 180.0° | 179.8° |
| C42 | C43 | C38 | C37 | 178.6° | 179.8° |
| C43 | C42 | C41 | H27 | 179.5° | 180.0° |
| C29 | C28 | C27 | H41 | 180.0° | 179.9° |
| C29 | C28 | C27 | C25 | 179.1° | 180.0° |
| C28 | C29 | C30 | H42 | 180.0° | 180.0° |
| C29 | C28 | C27 | C32 | 0.7° | 0.2° |
| C28 | C29 | C30 | C31 | 0.8° | 0.0° |
| C28 | C29 | C30 | H43 | 179.2° | 180.0° |
| C28 | C27 | C25 | C32 | 179.8° | 179.8° |
| C28 | C27 | C25 | N23 | 50.0° | 38.1° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C32 | C31 | 0.3° | 0.4° |
| C28 | C27 | C25 | H39 | 172.3° | 159.0° |
| C27 | C28 | C29 | H42 | 179.9° | 180.0° |
| C28 | C27 | C32 | H45 | 179.7° | 179.8° |
| N16 | C8 | O15 | C4 | 178.8° | 179.9° |
| N16 | C8 | C4 | C3 | 39.2° | 17.3° |
| N16 | C8 | C4 | C5 | 141.0° | 164.3° |
| C8 | N16 | C17 | H11 | 20.0° | 46.2° |
| C27 | C25 | N23 | H39 | 122.2° | 120.9° |
| C27 | C25 | N23 | C9 | 89.3° | 56.6° |
| C25 | C27 | C32 | C31 | 179.5° | 179.8° |
| C27 | C25 | C26 | H37 | 59.6° | 94.3° |
| C27 | C25 | C26 | H38 | 60.3° | 25.9° |
| C27 | C25 | N23 | H40 | 90.7° | 123.9° |
| C25 | C27 | C28 | H41 | 0.9° | 0.1° |
| C25 | C27 | C32 | H45 | 0.5° | 0.0° |
| N23 | C25 | C27 | C32 | 129.8° | 141.7° |
| C25 | N23 | C9 | H40 | 180.0° | 179.5° |
| C25 | N23 | C9 | C2 | 174.1° | 178.5° |
| C25 | N23 | C9 | O24 | 1.2° | 1.3° |
| N23 | C25 | C26 | H37 | 176.5° | 146.1° |
| N23 | C25 | C26 | H38 | 63.6° | 93.6° |
| C29 | C30 | C31 | H43 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 1.2° | 0.2° |
| C30 | C29 | C28 | H41 | 179.9° | 179.9° |
| C29 | C30 | C31 | H44 | 178.8° | 179.9° |
| C27 | C32 | C31 | C30 | 0.6° | 0.4° |
| C27 | C32 | C31 | H45 | 180.0° | 179.8° |
| C32 | C27 | C25 | H39 | 7.5° | 20.8° |
| C32 | C27 | C28 | H41 | 179.3° | 179.7° |
| C27 | C32 | C31 | H44 | 179.4° | 179.7° |
| C19 | N20 | C37 | C38 | 62.7° | 180.0° |
| C19 | N20 | C37 | H15 | 121.2° | 124.0° |
| N20 | C19 | C18 | H12 | 68.6° | 54.5° |
| N20 | C19 | H13 | H14 | 118.4° | 120.1° |
| C19 | N20 | C37 | H17 | 57.8° | 60.0° |
| C19 | N20 | C37 | H18 | 176.8° | 60.1° |
| C43 | C38 | C37 | N20 | 119.7° | 90.0° |
| C43 | C38 | C37 | H17 | 0.8° | 30.0° |
| C43 | C38 | C37 | H18 | 119.8° | 150.0° |
| C43 | C38 | C39 | H19 | 179.6° | 180.0° |
| C38 | C43 | C42 | H28 | 178.4° | 180.0° |
| C38 | C37 | N20 | H17 | 120.5° | 120.0° |
| C38 | C37 | N20 | H18 | 120.5° | 119.9° |
| C38 | C37 | N20 | H15 | 58.5° | 56.0° |
| C38 | C37 | H17 | H18 | 118.5° | 120.0° |
| C37 | C38 | C39 | H19 | 0.3° | 0.3° |
| C37 | C38 | C43 | H29 | 1.4° | 0.0° |
| O15 | C8 | C4 | C3 | 141.8° | 162.6° |
| O15 | C8 | C4 | C5 | 37.9° | 15.7° |
| O15 | C8 | N16 | H10 | 174.1° | 148.1° |
| N23 | C9 | C2 | C3 | 42.5° | 5.8° |
| N23 | C9 | C2 | O24 | 173.4° | 179.8° |
| N23 | C9 | C2 | C1 | 141.5° | 173.4° |
| C9 | N23 | C25 | H39 | 32.9° | 64.2° |
| C8 | C4 | C3 | C5 | 179.7° | 178.4° |
| C8 | C4 | C3 | C2 | 179.2° | 178.1° |
| C8 | C4 | C5 | C6 | 178.9° | 178.8° |
| C8 | C4 | C5 | H8 | 1.1° | 1.2° |
| C8 | C4 | C3 | H9 | 0.8° | 2.3° |
| C4 | C8 | N16 | H10 | 4.9° | 32.0° |
| C37 | N20 | C19 | H13 | 78.2° | 60.0° |
| C37 | N20 | C19 | H14 | 40.7° | 60.1° |
| N20 | C37 | H17 | H18 | 118.5° | 120.0° |
| C30 | C31 | C32 | H44 | 180.0° | 179.9° |
| C31 | C30 | C29 | H42 | 179.2° | 180.0° |
| C30 | C31 | C32 | H45 | 179.4° | 179.8° |
| C32 | C31 | C30 | H43 | 178.9° | 179.8° |
| C4 | C3 | C2 | H9 | 180.0° | 179.6° |
| C4 | C3 | C2 | C9 | 175.7° | 178.0° |
| C4 | C3 | C2 | C1 | 0.3° | 1.2° |
| C3 | C4 | C5 | C6 | 1.4° | 0.5° |
| C3 | C4 | C5 | H8 | 178.6° | 179.5° |
| C2 | C3 | C4 | C5 | 1.1° | 0.2° |
| C3 | C2 | C9 | C1 | 176.0° | 179.2° |
| C3 | C2 | C9 | O24 | 130.9° | 174.4° |
| C3 | C2 | C1 | C6 | 0.0° | 1.4° |
| C3 | C2 | C1 | H7 | 180.0° | 178.6° |
| C4 | C5 | C6 | H8 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.1° | 0.4° |
| C4 | C5 | C6 | N7 | 177.9° | 179.4° |
| C5 | C4 | C3 | H9 | 179.0° | 179.4° |
| C9 | C2 | C1 | C6 | 175.9° | 177.8° |
| C9 | C2 | C1 | H7 | 4.1° | 2.2° |
| C9 | C2 | C3 | H9 | 4.3° | 2.4° |
| C2 | C9 | N23 | H40 | 5.8° | 2.0° |
| O24 | C9 | C2 | C1 | 45.1° | 6.4° |
| O24 | C9 | N23 | H40 | 178.8° | 178.2° |
| C2 | C1 | C6 | C5 | 0.4° | 0.6° |
| C2 | C1 | C6 | H7 | 180.0° | 180.0° |
| C2 | C1 | C6 | N7 | 178.5° | 179.7° |
| C1 | C2 | C3 | H9 | 179.7° | 178.4° |
| C5 | C6 | C1 | N7 | 178.9° | 179.7° |
| C5 | C6 | N7 | C10 | 51.4° | 24.7° |
| C5 | C6 | N7 | S11 | 166.4° | 155.3° |
| C5 | C6 | C1 | H7 | 179.6° | 179.4° |
| C1 | C6 | N7 | C10 | 129.6° | 155.0° |
| C1 | C6 | N7 | S11 | 12.5° | 25.0° |
| C1 | C6 | C5 | H8 | 178.9° | 179.7° |
| C6 | N7 | C10 | S11 | 143.6° | 180.0° |
| C6 | N7 | S11 | C12 | 83.8° | 90.0° |
| C6 | N7 | S11 | O13 | 42.0° | 26.1° |
| C6 | N7 | S11 | O14 | 162.4° | 154.0° |
| C6 | N7 | C10 | H4 | 180.0° | 90.0° |
| C6 | N7 | C10 | H5 | 60.0° | 30.0° |
| C6 | N7 | C10 | H6 | 60.0° | 150.0° |
| N7 | C6 | C1 | H7 | 1.5° | 0.3° |
| N7 | C6 | C5 | H8 | 2.1° | 0.6° |
| C10 | N7 | S11 | C12 | 57.5° | 90.0° |
| C10 | N7 | S11 | O13 | 176.7° | 153.9° |
| C10 | N7 | S11 | O14 | 56.4° | 26.0° |
| N7 | C10 | H4 | H5 | 120.0° | 120.1° |
| N7 | C10 | H4 | H6 | 120.0° | 120.0° |
| N7 | C10 | H5 | H6 | 120.0° | 119.9° |
| N7 | S11 | C12 | O13 | 124.1° | 111.7° |
| N7 | S11 | C12 | O14 | 112.4° | 111.6° |
| N7 | S11 | O13 | O14 | 115.7° | 116.7° |
| N7 | S11 | C12 | H1 | 180.0° | 60.0° |
| N7 | S11 | C12 | H2 | 60.0° | 60.1° |
| N7 | S11 | C12 | H3 | 60.0° | 180.0° |
| S11 | N7 | C10 | H4 | 36.4° | 90.0° |
| S11 | N7 | C10 | H5 | 83.5° | 149.9° |
| S11 | N7 | C10 | H6 | 156.4° | 30.0° |
| C12 | S11 | O13 | O14 | 120.5° | 131.5° |
| S11 | C12 | H1 | H2 | 120.0° | 120.0° |
| S11 | C12 | H1 | H3 | 120.0° | 120.1° |
| S11 | C12 | H2 | H3 | 120.0° | 120.0° |
| O13 | S11 | C12 | H1 | 55.9° | 171.6° |
| O13 | S11 | C12 | H2 | 64.1° | 51.6° |
| O13 | S11 | C12 | H3 | 175.9° | 68.3° |
| O14 | S11 | C12 | H1 | 67.6° | 51.6° |
| O14 | S11 | C12 | H2 | 172.4° | 171.7° |
| O14 | S11 | C12 | H3 | 52.4° | 68.4° |
| H1 | C12 | H2 | H3 | 120.0° | 120.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H10 | N16 | C17 | H11 | 160.0° | 133.8° |
| H11 | C17 | C18 | H12 | 177.8° | 65.8° |
| H11 | C17 | C22 | H31 | 42.2° | 174.5° |
| H11 | C17 | C22 | H32 | 161.5° | 65.5° |
| H12 | C18 | C19 | H13 | 51.8° | 65.5° |
| H12 | C18 | C19 | H14 | 170.8° | 174.5° |
| H12 | C18 | O21 | H30 | 60.3° | 180.0° |
| H13 | C19 | N20 | H15 | 160.6° | 176.0° |
| H14 | C19 | N20 | H15 | 80.5° | 63.9° |
| H15 | N20 | C37 | H17 | 179.0° | 176.0° |
| H15 | N20 | C37 | H18 | 62.0° | 63.9° |
| H20 | C44 | C45 | H21 | 62.5° | 60.0° |
| H20 | C44 | C45 | H22 | 177.5° | 60.0° |
| H20 | C44 | C45 | H23 | 57.5° | 180.0° |
| H20 | C44 | C46 | H24 | 62.4° | 180.0° |
| H20 | C44 | C46 | H25 | 57.6° | 59.9° |
| H20 | C44 | C46 | H26 | 177.6° | 60.0° |
| H21 | C45 | H22 | H23 | 120.0° | 119.9° |
| H24 | C46 | H25 | H26 | 120.0° | 120.0° |
| H27 | C41 | C42 | H28 | 0.5° | 0.1° |
| H28 | C42 | C43 | H29 | 1.6° | 0.2° |
| H33 | C35 | C36 | H35 | 60.1° | 166.3° |
| H34 | C35 | C36 | H35 | 178.8° | 46.3° |
| H35 | C36 | C33 | H36 | 179.9° | 179.2° |
| H36 | C33 | C26 | H37 | 70.8° | 77.1° |
| H36 | C33 | C26 | H38 | 169.3° | 162.5° |
| H37 | C26 | C25 | H39 | 60.5° | 26.5° |
| H38 | C26 | C25 | H39 | 179.6° | 146.8° |
| H39 | C25 | N23 | H40 | 147.1° | 115.2° |
| H41 | C28 | C29 | H42 | 0.1° | 0.1° |
| H42 | C29 | C30 | H43 | 0.8° | 0.0° |
| H43 | C30 | C31 | H44 | 1.1° | 0.0° |
| H44 | C31 | C32 | H45 | 0.6° | 0.1° |
