0LN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | N31 | sing | 1.47Å | 1.48Å | |
| C38 | N35 | sing | 1.46Å | 1.49Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| N31 | C41 | sing | 1.49Å | 1.49Å | |
| N31 | S30 | sing | 1.68Å | 1.66Å | |
| C39 | C37 | sing | 1.52Å | 1.55Å | |
| N35 | C37 | sing | 1.47Å | 1.49Å | |
| N35 | C34 | sing | 1.37Å | 1.40Å | |
| S30 | O33 | doub | 1.42Å | 1.44Å | |
| S30 | O32 | doub | 1.42Å | 1.44Å | |
| S30 | N29 | sing | 1.67Å | 1.63Å | |
| O36 | C34 | doub | 1.21Å | 1.21Å | |
| C34 | C19 | sing | 1.46Å | 1.49Å | |
| N29 | C27 | sing | 1.38Å | 1.38Å | |
| O28 | C27 | doub | 1.22Å | 1.21Å | |
| C27 | C1 | sing | 1.49Å | 1.45Å | |
| C19 | C18 | doub | 1.31Å | 1.36Å | |
| C19 | C20 | sing | 1.50Å | 1.54Å | |
| C18 | C17 | sing | 1.45Å | 1.47Å | |
| C6 | C1 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N9 | sing | 1.46Å | 1.46Å | |
| C5 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C24 | doub | 1.41Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.41Å | 1.37Å | Aromatic |
| C8 | C16 | sing | 1.47Å | 1.48Å | |
| C8 | C7 | doub | 1.37Å | 1.40Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C23 | O25 | sing | 1.36Å | 1.37Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| C10 | C15 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C38 | H1 | sing | 1.09Å | 1.10Å | |
| C38 | H2 | sing | 1.09Å | 1.10Å | |
| C38 | H3 | sing | 1.09Å | 1.10Å | |
| C37 | H4 | sing | 1.10Å | 1.10Å | |
| C37 | H5 | sing | 1.10Å | 1.10Å | |
| C39 | H6 | sing | 1.08Å | 1.10Å | |
| C39 | H7 | sing | 1.10Å | 1.10Å | |
| C40 | H8 | sing | 1.09Å | 1.10Å | |
| C40 | H9 | sing | 1.09Å | 1.10Å | |
| C41 | H10 | sing | 1.09Å | 1.10Å | |
| C41 | H11 | sing | 1.09Å | 1.10Å | |
| C42 | H12 | sing | 1.09Å | 1.10Å | |
| C42 | H13 | sing | 1.09Å | 1.10Å | |
| C42 | H14 | sing | 1.09Å | 1.10Å | |
| N29 | H15 | sing | 0.97Å | 1.00Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å | |
| C2 | H27 | sing | 1.08Å | 1.08Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | N31 | C41 | 113.7° | 122.9° |
| C42 | N31 | S30 | 109.9° | 122.2° |
| N31 | C42 | H12 | 109.5° | 109.5° |
| N31 | C42 | H13 | 109.5° | 109.5° |
| N31 | C42 | H14 | 109.5° | 109.5° |
| C38 | N35 | C37 | 116.6° | 124.1° |
| C38 | N35 | C34 | 117.7° | 121.2° |
| N35 | C38 | H1 | 109.5° | 109.5° |
| N35 | C38 | H2 | 109.5° | 109.5° |
| N35 | C38 | H3 | 109.5° | 109.5° |
| C41 | C40 | C39 | 113.3° | 109.4° |
| C40 | C41 | N31 | 110.4° | 109.3° |
| C41 | C40 | H8 | 108.5° | 109.6° |
| C41 | C40 | H9 | 108.5° | 109.9° |
| C40 | C41 | H10 | 109.2° | 109.7° |
| C40 | C41 | H11 | 109.2° | 109.6° |
| C40 | C39 | C37 | 111.2° | 110.9° |
| C40 | C39 | H6 | 109.1° | 110.5° |
| C40 | C39 | H7 | 109.1° | 107.4° |
| C39 | C40 | H8 | 108.5° | 108.8° |
| C39 | C40 | H9 | 108.5° | 109.6° |
| C41 | N31 | S30 | 112.5° | 114.9° |
| N31 | C41 | H10 | 109.2° | 109.6° |
| N31 | C41 | H11 | 109.2° | 109.5° |
| N31 | S30 | O33 | 110.6° | 106.9° |
| N31 | S30 | O32 | 109.3° | 106.8° |
| N31 | S30 | N29 | 109.3° | 104.3° |
| C39 | C37 | N35 | 120.0° | 113.2° |
| C39 | C37 | H4 | 106.8° | 109.1° |
| C39 | C37 | H5 | 106.8° | 109.0° |
| C37 | C39 | H6 | 109.0° | 112.9° |
| C37 | C39 | H7 | 109.0° | 107.9° |
| C37 | N35 | C34 | 125.7° | 114.7° |
| N35 | C37 | H4 | 106.8° | 109.0° |
| N35 | C37 | H5 | 106.8° | 108.8° |
| N35 | C34 | O36 | 117.2° | 118.8° |
| N35 | C34 | C19 | 126.8° | 120.2° |
| O33 | S30 | O32 | 109.7° | 123.8° |
| O33 | S30 | N29 | 110.8° | 106.9° |
| O32 | S30 | N29 | 107.1° | 106.7° |
| S30 | N29 | C27 | 124.6° | 116.5° |
| S30 | N29 | H15 | 117.7° | 120.5° |
| O36 | C34 | C19 | 115.9° | 121.0° |
| C34 | C19 | C18 | 113.1° | 119.1° |
| C34 | C19 | C20 | 121.8° | 117.2° |
| N29 | C27 | O28 | 122.5° | 123.8° |
| N29 | C27 | C1 | 116.3° | 112.3° |
| C27 | N29 | H15 | 117.7° | 123.0° |
| O28 | C27 | C1 | 121.0° | 123.9° |
| C27 | C1 | C6 | 116.5° | 115.6° |
| C27 | C1 | C2 | 122.9° | 122.7° |
| C18 | C19 | C20 | 125.1° | 123.6° |
| C19 | C18 | C17 | 122.2° | 132.9° |
| C19 | C18 | H19 | 118.9° | 113.6° |
| C19 | C20 | N9 | 110.2° | 111.9° |
| C19 | C20 | H16 | 109.3° | 109.6° |
| C19 | C20 | H17 | 109.3° | 108.5° |
| C18 | C17 | C24 | 115.1° | 117.1° |
| C18 | C17 | C16 | 124.6° | 124.1° |
| C17 | C18 | H19 | 118.9° | 113.5° |
| C1 | C6 | C5 | 119.2° | 116.8° |
| C6 | C1 | C2 | 120.5° | 121.7° |
| C1 | C6 | H18 | 120.4° | 122.6° |
| C6 | C5 | N9 | 129.5° | 131.1° |
| C6 | C5 | C4 | 120.6° | 121.1° |
| C5 | C6 | H18 | 120.4° | 120.6° |
| C1 | C2 | C3 | 119.5° | 121.8° |
| C1 | C2 | H27 | 120.3° | 119.0° |
| C20 | N9 | C5 | 128.2° | 124.2° |
| C20 | N9 | C8 | 123.0° | 126.8° |
| N9 | C20 | H16 | 109.3° | 109.6° |
| N9 | C20 | H17 | 109.3° | 108.6° |
| N9 | C5 | C4 | 109.8° | 107.8° |
| C5 | N9 | C8 | 108.7° | 108.9° |
| C5 | C4 | C3 | 121.4° | 120.9° |
| C5 | C4 | C7 | 106.8° | 106.1° |
| N9 | C8 | C16 | 124.2° | 126.8° |
| N9 | C8 | C7 | 108.3° | 108.3° |
| C2 | C3 | C4 | 118.8° | 117.1° |
| C2 | C3 | H26 | 120.6° | 121.2° |
| C3 | C2 | H27 | 120.3° | 119.2° |
| C24 | C17 | C16 | 119.7° | 118.8° |
| C17 | C24 | C23 | 120.9° | 121.1° |
| C17 | C24 | H20 | 119.5° | 119.4° |
| C17 | C16 | C8 | 122.3° | 122.6° |
| C17 | C16 | C21 | 118.8° | 118.6° |
| C24 | C23 | O25 | 120.5° | 120.1° |
| C24 | C23 | C22 | 119.6° | 119.7° |
| C23 | C24 | H20 | 119.5° | 119.5° |
| C3 | C4 | C7 | 131.8° | 132.9° |
| C4 | C3 | H26 | 120.6° | 121.6° |
| C4 | C7 | C8 | 106.3° | 108.4° |
| C4 | C7 | C10 | 125.9° | 123.5° |
| C16 | C8 | C7 | 127.5° | 124.8° |
| C8 | C16 | C21 | 118.9° | 118.8° |
| C8 | C7 | C10 | 127.8° | 128.0° |
| C16 | C21 | C22 | 121.4° | 121.3° |
| C16 | C21 | H25 | 119.3° | 120.6° |
| C7 | C10 | C11 | 107.5° | 109.5° |
| C7 | C10 | C15 | 114.5° | 109.5° |
| C7 | C10 | H28 | 108.2° | 109.4° |
| C10 | C11 | C12 | 109.9° | 109.4° |
| C11 | C10 | C15 | 110.4° | 109.5° |
| C11 | C10 | H28 | 108.0° | 109.5° |
| C10 | C11 | H37 | 109.4° | 109.5° |
| C10 | C11 | H38 | 109.4° | 109.5° |
| C11 | C12 | C13 | 108.9° | 109.5° |
| C11 | C12 | H35 | 109.6° | 109.5° |
| C11 | C12 | H36 | 109.6° | 109.4° |
| C12 | C11 | H37 | 109.4° | 109.5° |
| C12 | C11 | H38 | 109.4° | 109.4° |
| O25 | C23 | C22 | 119.9° | 120.1° |
| C23 | O25 | C26 | 120.8° | 117.0° |
| C23 | C22 | C21 | 119.6° | 119.9° |
| C23 | C22 | H24 | 120.2° | 120.1° |
| O25 | C26 | H21 | 109.5° | 109.4° |
| O25 | C26 | H22 | 109.5° | 109.5° |
| O25 | C26 | H23 | 109.4° | 109.5° |
| C10 | C15 | C14 | 107.9° | 109.5° |
| C15 | C10 | H28 | 108.1° | 109.5° |
| C10 | C15 | H29 | 109.9° | 109.5° |
| C10 | C15 | H30 | 109.9° | 109.5° |
| C21 | C22 | H24 | 120.2° | 119.9° |
| C22 | C21 | H25 | 119.3° | 118.1° |
| C12 | C13 | C14 | 109.0° | 109.4° |
| C12 | C13 | H33 | 109.6° | 109.5° |
| C12 | C13 | H34 | 109.6° | 109.5° |
| C13 | C12 | H35 | 109.6° | 109.5° |
| C13 | C12 | H36 | 109.6° | 109.4° |
| C15 | C14 | C13 | 109.7° | 109.5° |
| C14 | C15 | H29 | 109.8° | 109.4° |
| C14 | C15 | H30 | 109.8° | 109.5° |
| C15 | C14 | H31 | 109.4° | 109.5° |
| C15 | C14 | H32 | 109.4° | 109.4° |
| C13 | C14 | H31 | 109.4° | 109.5° |
| C13 | C14 | H32 | 109.4° | 109.5° |
| C14 | C13 | H33 | 109.6° | 109.5° |
| C14 | C13 | H34 | 109.6° | 109.4° |
| H1 | C38 | H2 | 109.5° | 109.5° |
| H1 | C38 | H3 | 109.5° | 109.5° |
| H2 | C38 | H3 | 109.5° | 109.5° |
| H4 | C37 | H5 | 109.5° | 107.5° |
| H6 | C39 | H7 | 109.5° | 107.0° |
| H8 | C40 | H9 | 109.5° | 109.6° |
| H10 | C41 | H11 | 109.5° | 109.2° |
| H12 | C42 | H13 | 109.5° | 109.5° |
| H12 | C42 | H14 | 109.5° | 109.4° |
| H13 | C42 | H14 | 109.5° | 109.4° |
| H16 | C20 | H17 | 109.5° | 108.5° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H21 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H29 | C15 | H30 | 109.5° | 109.5° |
| H31 | C14 | H32 | 109.5° | 109.5° |
| H33 | C13 | H34 | 109.5° | 109.6° |
| H35 | C12 | H36 | 109.5° | 109.5° |
| H37 | C11 | H38 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | N31 | C41 | C40 | 122.0° | 47.0° |
| C42 | N31 | C41 | S30 | 125.7° | 179.8° |
| C42 | N31 | S30 | O33 | 34.1° | 9.8° |
| C42 | N31 | S30 | O32 | 86.8° | 124.4° |
| C42 | N31 | S30 | N29 | 156.3° | 122.8° |
| C42 | N31 | C41 | H10 | 1.8° | 167.2° |
| C42 | N31 | C41 | H11 | 117.9° | 73.0° |
| N31 | C42 | H12 | H13 | 120.0° | 120.1° |
| N31 | C42 | H12 | H14 | 120.0° | 120.0° |
| N31 | C42 | H13 | H14 | 120.0° | 120.0° |
| C38 | N35 | C37 | C39 | 16.4° | 3.3° |
| C38 | N35 | C37 | C34 | 178.1° | 178.3° |
| C38 | N35 | C34 | O36 | 1.8° | 153.4° |
| C38 | N35 | C34 | C19 | 179.9° | 26.3° |
| N35 | C38 | H1 | H2 | 120.0° | 120.0° |
| N35 | C38 | H1 | H3 | 120.0° | 120.0° |
| N35 | C38 | H2 | H3 | 120.0° | 120.0° |
| C38 | N35 | C37 | H4 | 105.0° | 125.0° |
| C38 | N35 | C37 | H5 | 137.9° | 118.0° |
| C41 | C40 | C39 | H8 | 120.6° | 119.7° |
| C41 | C40 | C39 | H9 | 120.6° | 120.5° |
| C40 | C41 | N31 | H10 | 120.2° | 120.2° |
| C40 | C41 | N31 | H11 | 120.1° | 120.0° |
| C40 | C41 | N31 | S30 | 112.3° | 133.3° |
| C41 | C40 | C39 | C37 | 116.3° | 139.9° |
| C41 | C40 | C39 | H6 | 3.9° | 13.9° |
| C41 | C40 | C39 | H7 | 123.5° | 102.5° |
| C41 | C40 | H8 | H9 | 118.3° | 120.7° |
| C40 | C41 | H10 | H11 | 119.6° | 120.1° |
| C39 | C40 | C41 | N31 | 151.3° | 168.2° |
| C40 | C39 | C37 | H6 | 120.3° | 124.6° |
| C40 | C39 | C37 | H7 | 120.3° | 117.3° |
| C40 | C39 | C37 | N35 | 92.2° | 96.3° |
| C40 | C39 | C37 | H4 | 29.3° | 142.0° |
| C40 | C39 | C37 | H5 | 146.4° | 24.9° |
| C40 | C39 | H6 | H7 | 119.3° | 116.6° |
| C39 | C40 | H8 | H9 | 118.2° | 119.7° |
| C39 | C40 | C41 | H10 | 88.5° | 48.1° |
| C39 | C40 | C41 | H11 | 31.2° | 71.8° |
| C41 | N31 | S30 | O33 | 93.7° | 170.4° |
| C41 | N31 | S30 | O32 | 145.5° | 55.3° |
| C41 | N31 | S30 | N29 | 28.5° | 57.4° |
| N31 | C41 | C40 | H8 | 88.1° | 72.6° |
| N31 | C41 | C40 | H9 | 30.8° | 47.9° |
| N31 | C41 | H10 | H11 | 119.6° | 120.0° |
| C41 | N31 | C42 | H12 | 127.1° | 89.9° |
| C41 | N31 | C42 | H13 | 112.9° | 150.0° |
| C41 | N31 | C42 | H14 | 7.1° | 30.0° |
| N31 | S30 | O33 | O32 | 120.6° | 124.5° |
| N31 | S30 | O33 | N29 | 121.3° | 111.2° |
| N31 | S30 | O32 | N29 | 118.3° | 111.1° |
| N31 | S30 | N29 | C27 | 102.5° | 170.9° |
| S30 | N31 | C41 | H10 | 127.5° | 13.1° |
| S30 | N31 | C41 | H11 | 7.8° | 106.7° |
| S30 | N31 | C42 | H12 | 0.0° | 90.3° |
| S30 | N31 | C42 | H13 | 120.0° | 29.8° |
| S30 | N31 | C42 | H14 | 120.0° | 149.7° |
| N31 | S30 | N29 | H15 | 77.5° | 10.0° |
| C39 | C37 | N35 | H4 | 121.5° | 121.7° |
| C39 | C37 | N35 | H5 | 121.5° | 121.4° |
| C39 | C37 | N35 | C34 | 165.5° | 175.0° |
| C39 | C37 | H4 | H5 | 115.3° | 118.1° |
| C37 | C39 | H6 | H7 | 119.2° | 118.6° |
| C37 | C39 | C40 | H8 | 123.1° | 100.4° |
| C37 | C39 | C40 | H9 | 4.3° | 19.3° |
| C37 | N35 | C34 | O36 | 179.9° | 24.9° |
| C37 | N35 | C34 | C19 | 1.9° | 155.3° |
| C37 | N35 | C38 | H1 | 180.0° | 90.0° |
| C37 | N35 | C38 | H2 | 60.0° | 150.0° |
| C37 | N35 | C38 | H3 | 60.0° | 30.0° |
| N35 | C37 | H4 | H5 | 115.2° | 117.8° |
| N35 | C37 | C39 | H6 | 147.6° | 28.3° |
| N35 | C37 | C39 | H7 | 28.1° | 146.3° |
| N35 | C34 | O36 | C19 | 178.5° | 179.8° |
| N35 | C34 | C19 | C18 | 126.5° | 130.0° |
| N35 | C34 | C19 | C20 | 50.9° | 53.3° |
| C34 | N35 | C38 | H1 | 1.8° | 91.8° |
| C34 | N35 | C38 | H2 | 121.8° | 28.2° |
| C34 | N35 | C38 | H3 | 118.2° | 148.2° |
| C34 | N35 | C37 | H4 | 73.0° | 53.3° |
| C34 | N35 | C37 | H5 | 44.0° | 63.6° |
| O33 | S30 | O32 | N29 | 120.3° | 124.4° |
| O33 | S30 | N29 | C27 | 19.5° | 57.9° |
| O33 | S30 | N29 | H15 | 160.5° | 122.9° |
| O32 | S30 | N29 | C27 | 139.2° | 76.3° |
| O32 | S30 | N29 | H15 | 40.8° | 102.8° |
| S30 | N29 | C27 | H15 | 180.0° | 179.1° |
| S30 | N29 | C27 | O28 | 2.0° | 2.0° |
| S30 | N29 | C27 | C1 | 176.7° | 178.0° |
| O36 | C34 | C19 | C18 | 51.8° | 49.8° |
| O36 | C34 | C19 | C20 | 130.9° | 127.0° |
| C34 | C19 | C18 | C20 | 177.3° | 176.5° |
| C34 | C19 | C18 | C17 | 173.3° | 179.9° |
| C34 | C19 | C20 | N9 | 122.4° | 130.7° |
| C34 | C19 | C20 | H16 | 117.5° | 8.9° |
| C34 | C19 | C20 | H17 | 2.3° | 109.5° |
| C34 | C19 | C18 | H19 | 6.8° | 0.1° |
| N29 | C27 | O28 | C1 | 174.5° | 180.0° |
| N29 | C27 | C1 | C6 | 10.8° | 18.1° |
| N29 | C27 | C1 | C2 | 173.3° | 163.9° |
| O28 | C27 | C1 | C6 | 164.1° | 161.9° |
| O28 | C27 | C1 | C2 | 11.9° | 16.1° |
| O28 | C27 | N29 | H15 | 178.0° | 178.9° |
| C27 | C1 | C6 | C2 | 176.0° | 178.0° |
| C27 | C1 | C6 | C5 | 177.6° | 175.3° |
| C27 | C1 | C2 | C3 | 177.5° | 175.2° |
| C1 | C27 | N29 | H15 | 3.3° | 1.1° |
| C27 | C1 | C6 | H18 | 2.4° | 6.6° |
| C27 | C1 | C2 | H27 | 2.5° | 4.6° |
| C19 | C18 | C17 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | N9 | 54.6° | 52.7° |
| C19 | C18 | C17 | C24 | 134.1° | 158.6° |
| C19 | C18 | C17 | C16 | 36.9° | 23.1° |
| C18 | C19 | C20 | H16 | 65.5° | 174.5° |
| C18 | C19 | C20 | H17 | 174.8° | 67.1° |
| C20 | C19 | C18 | C17 | 9.5° | 3.6° |
| C19 | C20 | N9 | H16 | 120.1° | 121.9° |
| C19 | C20 | N9 | H17 | 120.1° | 119.7° |
| C19 | C20 | N9 | C5 | 116.0° | 123.1° |
| C19 | C20 | N9 | C8 | 62.4° | 55.5° |
| C19 | C20 | H16 | H17 | 119.7° | 118.4° |
| C20 | C19 | C18 | H19 | 170.5° | 176.7° |
| C18 | C17 | C24 | C16 | 171.5° | 178.4° |
| C18 | C17 | C24 | C23 | 173.7° | 176.0° |
| C18 | C17 | C16 | C8 | 9.5° | 8.5° |
| C18 | C17 | C16 | C21 | 172.3° | 172.0° |
| C18 | C17 | C24 | H20 | 6.3° | 4.1° |
| C1 | C6 | C5 | H18 | 180.0° | 178.1° |
| C1 | C6 | C5 | N9 | 178.6° | 178.2° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | C1 | C2 | C3 | 1.7° | 7.0° |
| C6 | C1 | C2 | H27 | 178.3° | 173.2° |
| C5 | C6 | C1 | C2 | 1.5° | 6.7° |
| C6 | C5 | N9 | C20 | 2.8° | 5.8° |
| C6 | C5 | N9 | C4 | 179.2° | 178.4° |
| C6 | C5 | N9 | C8 | 178.7° | 173.0° |
| C6 | C5 | C4 | C3 | 0.4° | 6.6° |
| C6 | C5 | C4 | C7 | 179.2° | 172.6° |
| C1 | C2 | C3 | H27 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.9° | 0.2° |
| C2 | C1 | C6 | H18 | 178.5° | 171.4° |
| C1 | C2 | C3 | H26 | 179.1° | 179.3° |
| C20 | N9 | C5 | C8 | 178.5° | 178.8° |
| C20 | N9 | C5 | C4 | 178.1° | 175.8° |
| C20 | N9 | C8 | C16 | 0.2° | 4.4° |
| C20 | N9 | C8 | C7 | 178.0° | 178.6° |
| N9 | C20 | H16 | H17 | 119.7° | 118.4° |
| N9 | C5 | C4 | C3 | 179.6° | 174.8° |
| N9 | C5 | C4 | C7 | 0.1° | 6.0° |
| C5 | N9 | C8 | C16 | 178.4° | 174.4° |
| C5 | N9 | C8 | C7 | 0.7° | 2.6° |
| C5 | N9 | C20 | H16 | 123.9° | 1.3° |
| C5 | N9 | C20 | H17 | 4.1° | 117.1° |
| N9 | C5 | C6 | H18 | 1.4° | 3.7° |
| C4 | C5 | N9 | C8 | 0.5° | 5.4° |
| C5 | C4 | C3 | C2 | 0.2° | 6.4° |
| C5 | C4 | C3 | C7 | 179.5° | 179.0° |
| C5 | C4 | C7 | C8 | 0.3° | 4.4° |
| C5 | C4 | C7 | C10 | 178.4° | 174.6° |
| C4 | C5 | C6 | H18 | 179.5° | 178.1° |
| C5 | C4 | C3 | H26 | 179.8° | 174.0° |
| N9 | C8 | C16 | C17 | 46.5° | 32.9° |
| N9 | C8 | C7 | C4 | 0.6° | 1.2° |
| N9 | C8 | C16 | C7 | 177.3° | 176.6° |
| N9 | C8 | C16 | C21 | 135.3° | 147.6° |
| N9 | C8 | C7 | C10 | 178.1° | 177.8° |
| C8 | N9 | C20 | H16 | 57.7° | 177.3° |
| C8 | N9 | C20 | H17 | 177.5° | 64.3° |
| C2 | C3 | C4 | H26 | 180.0° | 179.5° |
| C2 | C3 | C4 | C7 | 179.3° | 172.5° |
| C17 | C24 | C23 | H20 | 180.0° | 179.8° |
| C24 | C17 | C16 | C8 | 179.9° | 169.8° |
| C24 | C17 | C16 | C21 | 1.7° | 9.6° |
| C17 | C24 | C23 | O25 | 178.6° | 178.7° |
| C17 | C24 | C23 | C22 | 1.2° | 1.8° |
| C24 | C17 | C18 | H19 | 45.9° | 21.7° |
| C16 | C17 | C24 | C23 | 2.2° | 5.5° |
| C17 | C16 | C8 | C21 | 178.2° | 179.4° |
| C17 | C16 | C8 | C7 | 130.8° | 143.7° |
| C17 | C16 | C21 | C22 | 0.2° | 6.8° |
| C16 | C17 | C18 | H19 | 143.1° | 156.7° |
| C16 | C17 | C24 | H20 | 177.8° | 174.3° |
| C17 | C16 | C21 | H25 | 179.8° | 171.1° |
| C24 | C23 | O25 | C22 | 179.8° | 179.6° |
| C24 | C23 | O25 | C26 | 104.2° | 179.9° |
| C24 | C23 | C22 | C21 | 0.3° | 4.8° |
| C24 | C23 | C22 | H24 | 179.7° | 176.7° |
| C3 | C4 | C7 | C8 | 179.2° | 176.5° |
| C3 | C4 | C7 | C10 | 2.0° | 4.4° |
| C4 | C3 | C2 | H27 | 179.1° | 180.0° |
| C4 | C7 | C8 | C16 | 178.3° | 178.3° |
| C4 | C7 | C8 | C10 | 178.7° | 179.0° |
| C4 | C7 | C10 | C11 | 69.0° | 61.2° |
| C4 | C7 | C10 | C15 | 54.1° | 58.9° |
| C7 | C4 | C3 | H26 | 0.7° | 7.0° |
| C4 | C7 | C10 | H28 | 174.6° | 178.9° |
| C16 | C8 | C7 | C10 | 0.5° | 0.7° |
| C8 | C16 | C21 | C22 | 178.5° | 172.7° |
| C8 | C16 | C21 | H25 | 1.5° | 9.5° |
| C7 | C8 | C16 | C21 | 47.4° | 35.8° |
| C8 | C7 | C10 | C11 | 109.5° | 120.0° |
| C8 | C7 | C10 | C15 | 127.4° | 120.0° |
| C8 | C7 | C10 | H28 | 6.9° | 0.0° |
| C16 | C21 | C22 | C23 | 0.8° | 0.5° |
| C16 | C21 | C22 | H25 | 180.0° | 177.9° |
| C16 | C21 | C22 | H24 | 179.2° | 179.0° |
| C7 | C10 | C11 | C15 | 125.5° | 120.0° |
| C7 | C10 | C11 | H28 | 116.5° | 120.0° |
| C7 | C10 | C11 | C12 | 174.9° | 180.0° |
| C7 | C10 | C15 | H28 | 120.6° | 120.0° |
| C7 | C10 | C15 | C14 | 179.2° | 179.9° |
| C7 | C10 | C15 | H29 | 59.4° | 60.0° |
| C7 | C10 | C15 | H30 | 61.1° | 60.1° |
| C7 | C10 | C11 | H37 | 65.0° | 60.0° |
| C7 | C10 | C11 | H38 | 54.8° | 60.0° |
| C10 | C11 | C12 | H37 | 120.1° | 120.0° |
| C10 | C11 | C12 | H38 | 120.1° | 120.0° |
| C11 | C10 | C15 | H28 | 117.9° | 120.0° |
| C10 | C11 | C12 | C13 | 59.4° | 60.0° |
| C11 | C10 | C15 | C14 | 59.4° | 60.0° |
| C11 | C10 | C15 | H29 | 179.1° | 180.0° |
| C11 | C10 | C15 | H30 | 60.4° | 60.0° |
| C10 | C11 | C12 | H35 | 179.3° | 60.0° |
| C10 | C11 | C12 | H36 | 60.5° | 180.0° |
| C10 | C11 | H37 | H38 | 119.8° | 120.0° |
| C12 | C11 | C10 | C15 | 59.6° | 60.0° |
| C11 | C12 | C13 | H35 | 119.9° | 120.0° |
| C11 | C12 | C13 | H36 | 119.9° | 120.0° |
| C11 | C12 | C13 | C14 | 60.8° | 60.0° |
| C12 | C11 | C10 | H28 | 58.4° | 60.0° |
| C11 | C12 | C13 | H33 | 59.1° | 180.0° |
| C11 | C12 | C13 | H34 | 179.3° | 59.9° |
| C11 | C12 | H35 | H36 | 120.3° | 120.0° |
| C12 | C11 | H37 | H38 | 119.8° | 120.0° |
| O25 | C23 | C22 | C21 | 179.9° | 175.6° |
| O25 | C23 | C24 | H20 | 1.4° | 1.1° |
| C23 | O25 | C26 | H21 | 180.0° | 60.1° |
| C23 | O25 | C26 | H22 | 60.0° | 59.9° |
| C23 | O25 | C26 | H23 | 60.0° | 180.0° |
| O25 | C23 | C22 | H24 | 0.1° | 2.9° |
| C22 | C23 | O25 | C26 | 76.1° | 0.4° |
| C23 | C22 | C21 | H24 | 180.0° | 178.5° |
| C22 | C23 | C24 | H20 | 178.8° | 178.4° |
| C23 | C22 | C21 | H25 | 179.2° | 178.4° |
| O25 | C26 | H21 | H22 | 120.0° | 120.0° |
| O25 | C26 | H21 | H23 | 120.0° | 119.9° |
| O25 | C26 | H22 | H23 | 120.0° | 120.0° |
| C10 | C15 | C14 | H29 | 119.7° | 120.0° |
| C10 | C15 | C14 | H30 | 119.8° | 120.0° |
| C10 | C15 | C14 | C13 | 60.9° | 60.0° |
| C10 | C15 | H29 | H30 | 120.7° | 120.0° |
| C10 | C15 | C14 | H31 | 59.2° | 60.0° |
| C10 | C15 | C14 | H32 | 179.1° | 180.0° |
| C15 | C10 | C11 | H37 | 60.5° | 60.0° |
| C15 | C10 | C11 | H38 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 62.3° | 60.0° |
| C12 | C13 | C14 | H33 | 119.9° | 120.0° |
| C12 | C13 | C14 | H34 | 119.9° | 120.0° |
| C12 | C13 | C14 | H31 | 57.8° | 60.0° |
| C12 | C13 | C14 | H32 | 177.7° | 180.0° |
| C12 | C13 | H33 | H34 | 120.2° | 120.1° |
| C13 | C12 | H35 | H36 | 120.3° | 120.0° |
| C13 | C12 | C11 | H37 | 60.6° | 60.0° |
| C13 | C12 | C11 | H38 | 179.5° | 180.0° |
| C15 | C14 | C13 | H31 | 120.1° | 120.0° |
| C15 | C14 | C13 | H32 | 120.0° | 119.9° |
| C14 | C15 | C10 | H28 | 58.6° | 60.0° |
| C14 | C15 | H29 | H30 | 120.7° | 120.0° |
| C15 | C14 | H31 | H32 | 119.9° | 120.0° |
| C15 | C14 | C13 | H33 | 57.6° | 180.0° |
| C15 | C14 | C13 | H34 | 177.8° | 59.9° |
| C13 | C14 | C15 | H29 | 179.4° | 180.0° |
| C13 | C14 | C15 | H30 | 58.9° | 60.0° |
| C13 | C14 | H31 | H32 | 119.9° | 120.0° |
| C14 | C13 | H33 | H34 | 120.2° | 120.0° |
| C14 | C13 | C12 | H35 | 179.3° | 60.0° |
| C14 | C13 | C12 | H36 | 59.1° | 180.0° |
| H1 | C38 | H2 | H3 | 120.0° | 120.0° |
| H4 | C37 | C39 | H6 | 91.0° | 93.4° |
| H4 | C37 | C39 | H7 | 149.5° | 24.7° |
| H5 | C37 | C39 | H6 | 26.1° | 149.5° |
| H5 | C37 | C39 | H7 | 93.4° | 92.4° |
| H6 | C39 | C40 | H8 | 116.6° | 133.6° |
| H6 | C39 | C40 | H9 | 124.5° | 106.6° |
| H7 | C39 | C40 | H8 | 2.9° | 17.2° |
| H7 | C39 | C40 | H9 | 115.9° | 137.0° |
| H8 | C40 | C41 | H10 | 32.0° | 167.2° |
| H8 | C40 | C41 | H11 | 151.7° | 47.4° |
| H9 | C40 | C41 | H10 | 150.9° | 72.3° |
| H9 | C40 | C41 | H11 | 89.4° | 167.9° |
| H12 | C42 | H13 | H14 | 120.0° | 120.0° |
| H21 | C26 | H22 | H23 | 120.0° | 120.0° |
| H24 | C22 | C21 | H25 | 0.8° | 3.1° |
| H26 | C3 | C2 | H27 | 0.9° | 0.5° |
| H28 | C10 | C15 | H29 | 61.1° | 60.0° |
| H28 | C10 | C15 | H30 | 178.3° | 180.0° |
| H28 | C10 | C11 | H37 | 178.5° | 180.0° |
| H28 | C10 | C11 | H38 | 61.7° | 60.0° |
| H29 | C15 | C14 | H31 | 60.6° | 60.0° |
| H29 | C15 | C14 | H32 | 59.4° | 60.0° |
| H30 | C15 | C14 | H31 | 178.9° | 180.0° |
| H30 | C15 | C14 | H32 | 61.1° | 60.0° |
| H31 | C14 | C13 | H33 | 177.7° | 60.0° |
| H31 | C14 | C13 | H34 | 62.2° | 179.9° |
| H32 | C14 | C13 | H33 | 62.4° | 60.1° |
| H32 | C14 | C13 | H34 | 57.7° | 60.0° |
| H33 | C13 | C12 | H35 | 60.8° | 60.0° |
| H33 | C13 | C12 | H36 | 179.0° | 60.0° |
| H34 | C13 | C12 | H35 | 59.4° | 179.9° |
| H34 | C13 | C12 | H36 | 60.8° | 60.1° |
| H35 | C12 | C11 | H37 | 59.3° | NaN° |
| H35 | C12 | C11 | H38 | 60.6° | 60.0° |
| H36 | C12 | C11 | H37 | 179.4° | 60.0° |
| H36 | C12 | C11 | H38 | 59.6° | 60.0° |
