LXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C40 | doub | 1.33Å | 1.36Å | |
| C40 | C39 | sing | 1.47Å | 1.49Å | |
| O41 | C39 | doub | 1.22Å | 1.23Å | |
| C39 | N28 | sing | 1.35Å | 1.36Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| N28 | C27 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C30 | N7 | sing | 1.47Å | 1.47Å | |
| C26 | N7 | sing | 1.47Å | 1.47Å | |
| N7 | C5 | sing | 1.39Å | 1.41Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C13 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| N9 | C8 | sing | 1.35Å | 1.37Å | Aromatic |
| N9 | C12 | doub | 1.31Å | 1.28Å | Aromatic |
| C16 | C13 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C1 | C8 | sing | 1.48Å | 1.48Å | |
| C1 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | N31 | sing | 1.39Å | 1.37Å | |
| C32 | N31 | sing | 1.47Å | 1.47Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | C18 | sing | 1.52Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C8 | N10 | doub | 1.31Å | 1.31Å | Aromatic |
| C12 | O11 | sing | 1.34Å | 1.34Å | Aromatic |
| N31 | C36 | sing | 1.47Å | 1.48Å | |
| C38 | C36 | sing | 1.53Å | 1.52Å | |
| N23 | C22 | trip | 1.14Å | 1.14Å | |
| C33 | N34 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.45Å | 1.44Å | Aromatic |
| C18 | C17 | doub | 1.34Å | 1.36Å | Aromatic |
| C22 | C19 | sing | 1.43Å | 1.43Å | |
| C36 | C35 | sing | 1.53Å | 1.57Å | |
| N10 | O11 | sing | 1.21Å | 1.44Å | Aromatic |
| C14 | C17 | sing | 1.52Å | 1.50Å | |
| C19 | C20 | doub | 1.37Å | 1.39Å | Aromatic |
| C17 | S21 | sing | 1.76Å | 1.73Å | Aromatic |
| N34 | C35 | sing | 1.47Å | 1.50Å | |
| N34 | C37 | sing | 1.47Å | 1.49Å | |
| C20 | S21 | sing | 1.70Å | 1.73Å | Aromatic |
| C20 | N24 | sing | 1.38Å | 1.34Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å | |
| C42 | H34 | sing | 1.08Å | 1.08Å | |
| C42 | H35 | sing | 1.08Å | 1.08Å | |
| N24 | H36 | sing | 0.97Å | 1.00Å | |
| N24 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C40 | C39 | 120.8° | 120.0° |
| C42 | C40 | H33 | 119.6° | 120.0° |
| C40 | C42 | H34 | 120.0° | 120.0° |
| C40 | C42 | H35 | 120.0° | 120.0° |
| C40 | C39 | O41 | 120.2° | 120.0° |
| C40 | C39 | N28 | 118.7° | 120.0° |
| C39 | C40 | H33 | 119.6° | 120.0° |
| O41 | C39 | N28 | 121.0° | 120.0° |
| C39 | N28 | C29 | 125.5° | 120.9° |
| C39 | N28 | C27 | 121.0° | 120.9° |
| C29 | N28 | C27 | 113.5° | 118.3° |
| N28 | C29 | C30 | 110.5° | 108.5° |
| N28 | C29 | H16 | 109.2° | 109.6° |
| N28 | C29 | H17 | 109.2° | 109.8° |
| N28 | C27 | C26 | 110.3° | 108.5° |
| N28 | C27 | H14 | 109.3° | 109.6° |
| N28 | C27 | H15 | 109.3° | 109.8° |
| C29 | C30 | N7 | 110.7° | 109.3° |
| C30 | C29 | H16 | 109.2° | 109.6° |
| C30 | C29 | H17 | 109.2° | 109.6° |
| C29 | C30 | H18 | 109.2° | 109.5° |
| C29 | C30 | H19 | 109.2° | 109.5° |
| C27 | C26 | N7 | 110.2° | 109.3° |
| C27 | C26 | H5 | 109.3° | 109.5° |
| C27 | C26 | H6 | 109.3° | 109.5° |
| C26 | C27 | H14 | 109.3° | 109.6° |
| C26 | C27 | H15 | 109.2° | 109.6° |
| C30 | N7 | C26 | 113.7° | 111.3° |
| C30 | N7 | C5 | 123.5° | 111.0° |
| N7 | C30 | H18 | 109.2° | 109.5° |
| N7 | C30 | H19 | 109.2° | 109.5° |
| C26 | N7 | C5 | 122.0° | 111.0° |
| N7 | C26 | H5 | 109.3° | 109.5° |
| N7 | C26 | H6 | 109.3° | 109.5° |
| N7 | C5 | C4 | 121.2° | 120.8° |
| N7 | C5 | C6 | 121.3° | 120.8° |
| C4 | C5 | C6 | 117.4° | 118.5° |
| C5 | C4 | C3 | 120.3° | 119.2° |
| C5 | C4 | H1 | 119.9° | 120.4° |
| C5 | C6 | C1 | 119.1° | 119.1° |
| C5 | C6 | H2 | 120.5° | 120.4° |
| C25 | C13 | C16 | 110.4° | 109.7° |
| C25 | C13 | C12 | 108.8° | 109.6° |
| C25 | C13 | C18 | 108.7° | 109.6° |
| C13 | C25 | H11 | 109.5° | 109.5° |
| C13 | C25 | H12 | 109.5° | 109.5° |
| C13 | C25 | H13 | 109.5° | 109.5° |
| C4 | C3 | N2 | 122.0° | 120.8° |
| C4 | C3 | N31 | 121.3° | 119.6° |
| C3 | C4 | H1 | 119.9° | 120.4° |
| C6 | C1 | C8 | 120.0° | 119.6° |
| C6 | C1 | N2 | 123.4° | 120.7° |
| C1 | C6 | H2 | 120.5° | 120.4° |
| C8 | N9 | C12 | 104.1° | 105.5° |
| N9 | C8 | C1 | 121.8° | 126.4° |
| N9 | C8 | N10 | 113.8° | 107.2° |
| N9 | C12 | C13 | 123.7° | 126.4° |
| N9 | C12 | O11 | 113.5° | 107.2° |
| C13 | C16 | C15 | 112.9° | 109.2° |
| C16 | C13 | C12 | 109.0° | 109.6° |
| C16 | C13 | C18 | 113.7° | 108.8° |
| C13 | C16 | H9 | 108.6° | 109.6° |
| C13 | C16 | H10 | 108.6° | 109.5° |
| C16 | C15 | C14 | 110.9° | 109.0° |
| C16 | C15 | H3 | 109.1° | 109.6° |
| C16 | C15 | H4 | 109.1° | 109.6° |
| C15 | C16 | H9 | 108.6° | 109.5° |
| C15 | C16 | H10 | 108.6° | 109.5° |
| C8 | C1 | N2 | 116.6° | 119.7° |
| C1 | C8 | N10 | 124.4° | 126.4° |
| C1 | N2 | C3 | 117.7° | 121.8° |
| N2 | C3 | N31 | 116.6° | 119.7° |
| C3 | N31 | C32 | 120.2° | 111.1° |
| C3 | N31 | C36 | 120.4° | 110.9° |
| N31 | C32 | C33 | 110.4° | 109.4° |
| C32 | N31 | C36 | 118.9° | 110.9° |
| N31 | C32 | H20 | 109.2° | 109.5° |
| N31 | C32 | H21 | 109.2° | 109.5° |
| C32 | C33 | N34 | 110.7° | 109.3° |
| C33 | C32 | H20 | 109.2° | 109.5° |
| C33 | C32 | H21 | 109.2° | 109.5° |
| C32 | C33 | H22 | 109.1° | 109.5° |
| C32 | C33 | H23 | 109.2° | 109.5° |
| C12 | C13 | C18 | 106.0° | 109.6° |
| C13 | C12 | O11 | 122.7° | 126.4° |
| C13 | C18 | C19 | 127.9° | 124.1° |
| C13 | C18 | C17 | 120.3° | 123.6° |
| C15 | C14 | C17 | 110.9° | 108.7° |
| C14 | C15 | H3 | 109.1° | 109.5° |
| C14 | C15 | H4 | 109.1° | 109.6° |
| C15 | C14 | H7 | 109.1° | 109.6° |
| C15 | C14 | H8 | 109.1° | 109.6° |
| C8 | N10 | O11 | 103.1° | 110.1° |
| C12 | O11 | N10 | 105.5° | 110.0° |
| N31 | C36 | C38 | 111.9° | 109.5° |
| N31 | C36 | C35 | 109.2° | 109.4° |
| N31 | C36 | H26 | 108.1° | 109.5° |
| C38 | C36 | C35 | 112.9° | 109.5° |
| C38 | C36 | H26 | 107.5° | 109.5° |
| C36 | C38 | H30 | 109.5° | 109.4° |
| C36 | C38 | H31 | 109.5° | 109.5° |
| C36 | C38 | H32 | 109.5° | 109.5° |
| N23 | C22 | C19 | 176.6° | 180.0° |
| C33 | N34 | C35 | 110.7° | 110.9° |
| C33 | N34 | C37 | 111.5° | 111.0° |
| N34 | C33 | H22 | 109.2° | 109.5° |
| N34 | C33 | H23 | 109.2° | 109.5° |
| C19 | C18 | C17 | 111.8° | 112.4° |
| C18 | C19 | C22 | 126.1° | 123.3° |
| C18 | C19 | C20 | 112.8° | 113.3° |
| C18 | C17 | C14 | 126.1° | 124.3° |
| C18 | C17 | S21 | 112.9° | 110.8° |
| C22 | C19 | C20 | 121.0° | 123.4° |
| C36 | C35 | N34 | 111.3° | 109.3° |
| C36 | C35 | H24 | 109.0° | 109.5° |
| C36 | C35 | H25 | 109.0° | 109.5° |
| C35 | C36 | H26 | 107.0° | 109.5° |
| C14 | C17 | S21 | 121.0° | 124.9° |
| C17 | C14 | H7 | 109.1° | 109.5° |
| C17 | C14 | H8 | 109.1° | 109.6° |
| C19 | C20 | S21 | 110.8° | 110.7° |
| C19 | C20 | N24 | 128.3° | 124.6° |
| C17 | S21 | C20 | 91.6° | 92.7° |
| C35 | N34 | C37 | 111.0° | 111.0° |
| N34 | C35 | H24 | 109.0° | 109.5° |
| N34 | C35 | H25 | 109.0° | 109.5° |
| N34 | C37 | H27 | 109.5° | 109.5° |
| N34 | C37 | H28 | 109.5° | 109.5° |
| N34 | C37 | H29 | 109.4° | 109.5° |
| S21 | C20 | N24 | 120.9° | 124.7° |
| C20 | N24 | H36 | 109.5° | 120.0° |
| C20 | N24 | H37 | 109.5° | 120.0° |
| H3 | C15 | H4 | 109.5° | 109.6° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.7° |
| H9 | C16 | H10 | 109.5° | 109.6° |
| H11 | C25 | H12 | 109.5° | 109.5° |
| H11 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.4° |
| H14 | C27 | H15 | 109.5° | 109.6° |
| H16 | C29 | H17 | 109.5° | 109.7° |
| H18 | C30 | H19 | 109.5° | 109.5° |
| H20 | C32 | H21 | 109.5° | 109.4° |
| H22 | C33 | H23 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.5° |
| H27 | C37 | H29 | 109.5° | 109.4° |
| H28 | C37 | H29 | 109.5° | 109.5° |
| H30 | C38 | H31 | 109.5° | 109.4° |
| H30 | C38 | H32 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.4° |
| H34 | C42 | H35 | 120.0° | 120.0° |
| H36 | N24 | H37 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C40 | C39 | H33 | 180.0° | 179.9° |
| C42 | C40 | C39 | O41 | 77.7° | 5.5° |
| C42 | C40 | C39 | N28 | 99.1° | 174.6° |
| C40 | C42 | H34 | H35 | 180.0° | 179.9° |
| C40 | C39 | O41 | N28 | 176.7° | 179.9° |
| C40 | C39 | N28 | C29 | 4.0° | 174.8° |
| C40 | C39 | N28 | C27 | 177.8° | 5.3° |
| C39 | C40 | C42 | H34 | 180.0° | 0.1° |
| C39 | C40 | C42 | H35 | 0.0° | 180.0° |
| O41 | C39 | N28 | C29 | 179.2° | 5.2° |
| O41 | C39 | N28 | C27 | 1.1° | 174.8° |
| O41 | C39 | C40 | H33 | 102.3° | 174.6° |
| C39 | N28 | C29 | C27 | 178.3° | 180.0° |
| C39 | N28 | C29 | C30 | 158.6° | 128.8° |
| C39 | N28 | C27 | C26 | 141.7° | 128.8° |
| C39 | N28 | C27 | H14 | 21.6° | 111.4° |
| C39 | N28 | C27 | H15 | 98.2° | 9.1° |
| C39 | N28 | C29 | H16 | 38.4° | 9.2° |
| C39 | N28 | C29 | H17 | 81.3° | 111.4° |
| N28 | C39 | C40 | H33 | 80.9° | 5.3° |
| N28 | C29 | C30 | H16 | 120.2° | 119.7° |
| N28 | C29 | C30 | H17 | 120.1° | 119.9° |
| C29 | N28 | C27 | C26 | 39.9° | 51.2° |
| N28 | C29 | C30 | N7 | 62.0° | 53.8° |
| C29 | N28 | C27 | H14 | 160.0° | 68.5° |
| C29 | N28 | C27 | H15 | 80.2° | 171.0° |
| N28 | C29 | H16 | H17 | 119.5° | 120.6° |
| N28 | C29 | C30 | H18 | 58.3° | 173.8° |
| N28 | C29 | C30 | H19 | 177.9° | 66.1° |
| C27 | N28 | C29 | C30 | 19.7° | 51.2° |
| N28 | C27 | C26 | H14 | 120.1° | 119.7° |
| N28 | C27 | C26 | H15 | 120.1° | 119.9° |
| N28 | C27 | C26 | N7 | 63.1° | 53.8° |
| N28 | C27 | C26 | H5 | 57.0° | 66.1° |
| N28 | C27 | C26 | H6 | 176.8° | 173.8° |
| N28 | C27 | H14 | H15 | 119.7° | 120.6° |
| C27 | N28 | C29 | H16 | 139.9° | 170.9° |
| C27 | N28 | C29 | H17 | 100.4° | 68.6° |
| C29 | C30 | N7 | H18 | 120.2° | 119.9° |
| C29 | C30 | N7 | H19 | 120.2° | 119.9° |
| C29 | C30 | N7 | C26 | 38.8° | 63.2° |
| C29 | C30 | N7 | C5 | 131.8° | 172.8° |
| C30 | C29 | H16 | H17 | 119.5° | 120.4° |
| C29 | C30 | H18 | H19 | 119.4° | 120.1° |
| C27 | C26 | N7 | C30 | 20.9° | 63.2° |
| C27 | C26 | N7 | H5 | 120.1° | 120.0° |
| C27 | C26 | N7 | H6 | 120.1° | 119.9° |
| C27 | C26 | N7 | C5 | 168.3° | 172.7° |
| C27 | C26 | H5 | H6 | 119.7° | 120.1° |
| C26 | C27 | H14 | H15 | 119.6° | 120.4° |
| C30 | N7 | C26 | C5 | 170.8° | 124.1° |
| C30 | N7 | C5 | C4 | 166.9° | 55.7° |
| C30 | N7 | C5 | C6 | 14.9° | 124.3° |
| C30 | N7 | C26 | H5 | 99.2° | 56.8° |
| C30 | N7 | C26 | H6 | 141.1° | 176.9° |
| N7 | C30 | C29 | H16 | 177.9° | 173.5° |
| N7 | C30 | C29 | H17 | 58.2° | 66.1° |
| N7 | C30 | H18 | H19 | 119.4° | 120.1° |
| C26 | N7 | C5 | C4 | 3.0° | 180.0° |
| C26 | N7 | C5 | C6 | 175.3° | 0.0° |
| N7 | C26 | H5 | H6 | 119.6° | 120.0° |
| N7 | C26 | C27 | H14 | 176.8° | 65.9° |
| N7 | C26 | C27 | H15 | 57.0° | 173.8° |
| C26 | N7 | C30 | H18 | 81.4° | 176.9° |
| C26 | N7 | C30 | H19 | 159.0° | 56.8° |
| N7 | C5 | C4 | C6 | 178.4° | 180.0° |
| N7 | C5 | C4 | C3 | 177.3° | 179.9° |
| N7 | C5 | C6 | C1 | 179.9° | 180.0° |
| N7 | C5 | C4 | H1 | 2.6° | 0.3° |
| N7 | C5 | C6 | H2 | 0.1° | 0.1° |
| C5 | N7 | C26 | H5 | 71.6° | 67.3° |
| C5 | N7 | C26 | H6 | 48.2° | 52.8° |
| C5 | N7 | C30 | H18 | 108.0° | 52.8° |
| C5 | N7 | C30 | H19 | 11.6° | 67.3° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 1.7° | 0.1° |
| C5 | C4 | C3 | N2 | 3.7° | 0.1° |
| C5 | C4 | C3 | N31 | 178.7° | 179.8° |
| C4 | C5 | C6 | H2 | 178.3° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.1° |
| C5 | C6 | C1 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | C8 | 175.0° | 180.0° |
| C5 | C6 | C1 | N2 | 2.1° | 0.1° |
| C6 | C5 | C4 | H1 | 179.0° | 179.7° |
| C25 | C13 | C12 | N9 | 1.3° | 43.3° |
| C25 | C13 | C16 | C12 | 119.5° | 120.3° |
| C25 | C13 | C16 | C18 | 122.5° | 119.9° |
| C25 | C13 | C16 | C15 | 85.9° | 69.3° |
| C25 | C13 | C12 | C18 | 116.8° | 120.3° |
| C25 | C13 | C12 | O11 | 178.2° | 136.2° |
| C25 | C13 | C18 | C19 | 63.8° | 77.1° |
| C25 | C13 | C18 | C17 | 116.5° | 102.8° |
| C25 | C13 | C16 | H9 | 34.6° | 50.7° |
| C25 | C13 | C16 | H10 | 153.6° | 170.9° |
| C13 | C25 | H11 | H12 | 120.0° | 120.0° |
| C13 | C25 | H11 | H13 | 120.0° | 120.0° |
| C13 | C25 | H12 | H13 | 120.0° | 120.0° |
| C4 | C3 | N2 | C1 | 3.4° | 0.1° |
| C4 | C3 | N2 | N31 | 177.7° | 179.7° |
| C4 | C3 | N31 | C32 | 0.8° | 48.7° |
| C4 | C3 | N31 | C36 | 173.0° | 172.5° |
| C6 | C1 | C8 | N9 | 14.7° | 3.5° |
| C6 | C1 | C8 | N2 | 177.3° | 179.9° |
| C6 | C1 | N2 | C3 | 0.5° | 0.1° |
| C6 | C1 | C8 | N10 | 166.7° | 176.8° |
| N9 | C8 | C1 | N10 | 178.6° | 179.7° |
| N9 | C8 | C1 | N2 | 162.6° | 176.6° |
| C8 | N9 | C12 | C13 | 178.5° | 179.9° |
| C8 | N9 | C12 | O11 | 1.3° | 0.3° |
| N9 | C8 | N10 | O11 | 0.7° | 0.2° |
| N9 | C12 | C13 | C16 | 121.8° | 163.7° |
| C12 | N9 | C8 | C1 | 177.5° | 179.7° |
| N9 | C12 | C13 | O11 | 176.9° | 179.5° |
| N9 | C12 | C13 | C18 | 115.5° | 77.0° |
| C12 | N9 | C8 | N10 | 1.2° | 0.0° |
| N9 | C12 | O11 | N10 | 1.0° | 0.4° |
| C13 | C16 | C15 | H9 | 120.5° | 119.9° |
| C13 | C16 | C15 | H10 | 120.5° | 119.9° |
| C16 | C13 | C12 | C18 | 122.7° | 119.3° |
| C13 | C16 | C15 | C14 | 58.3° | 70.3° |
| C16 | C13 | C12 | O11 | 61.3° | 15.8° |
| C16 | C13 | C18 | C19 | 172.8° | 163.0° |
| C16 | C13 | C18 | C17 | 6.9° | 17.1° |
| C13 | C16 | C15 | H3 | 62.0° | 169.9° |
| C13 | C16 | C15 | H4 | 178.5° | 49.6° |
| C13 | C16 | H9 | H10 | 118.4° | 120.2° |
| C16 | C13 | C25 | H11 | 180.0° | 60.3° |
| C16 | C13 | C25 | H12 | 60.0° | 59.7° |
| C16 | C13 | C25 | H13 | 60.0° | 179.6° |
| C15 | C16 | C13 | C12 | 154.6° | 170.4° |
| C15 | C16 | C13 | C18 | 36.6° | 50.6° |
| C16 | C15 | C14 | H3 | 120.2° | 119.8° |
| C16 | C15 | C14 | H4 | 120.2° | 120.0° |
| C16 | C15 | C14 | C17 | 48.1° | 50.1° |
| C16 | C15 | H3 | H4 | 119.4° | 120.3° |
| C16 | C15 | C14 | H7 | 168.3° | 169.8° |
| C16 | C15 | C14 | H8 | 72.1° | 69.7° |
| C15 | C16 | H9 | H10 | 118.4° | 120.1° |
| C8 | C1 | N2 | C3 | 177.7° | 180.0° |
| C1 | C8 | N10 | O11 | 178.0° | 180.0° |
| C8 | C1 | C6 | H2 | 5.0° | 0.1° |
| C1 | N2 | C3 | N31 | 178.9° | 179.8° |
| N2 | C1 | C8 | N10 | 16.0° | 3.0° |
| N2 | C1 | C6 | H2 | 177.9° | 180.0° |
| N2 | C3 | N31 | C32 | 176.9° | 131.0° |
| N2 | C3 | N31 | C36 | 4.7° | 7.2° |
| N2 | C3 | C4 | H1 | 176.3° | 179.7° |
| C3 | N31 | C32 | C36 | 172.2° | 123.8° |
| C3 | N31 | C32 | C33 | 137.9° | 176.8° |
| C3 | N31 | C36 | C38 | 94.1° | 63.3° |
| C3 | N31 | C36 | C35 | 140.2° | 176.8° |
| N31 | C3 | C4 | H1 | 1.3° | 0.0° |
| C3 | N31 | C32 | H20 | 102.0° | 56.8° |
| C3 | N31 | C32 | H21 | 17.7° | 63.1° |
| C3 | N31 | C36 | H26 | 24.1° | 56.8° |
| N31 | C32 | C33 | H20 | 120.1° | 120.0° |
| N31 | C32 | C33 | H21 | 120.1° | 120.0° |
| C32 | N31 | C36 | C38 | 78.2° | 60.6° |
| N31 | C32 | C33 | N34 | 53.5° | 58.4° |
| C32 | N31 | C36 | C35 | 47.6° | 59.3° |
| N31 | C32 | H20 | H21 | 119.6° | 120.0° |
| N31 | C32 | C33 | H22 | 173.7° | 178.4° |
| N31 | C32 | C33 | H23 | 66.7° | 61.5° |
| C32 | N31 | C36 | H26 | 163.7° | 179.3° |
| C33 | C32 | N31 | C36 | 49.9° | 59.3° |
| C32 | C33 | N34 | H22 | 120.2° | 120.0° |
| C32 | C33 | N34 | H23 | 120.2° | 119.9° |
| C32 | C33 | N34 | C35 | 60.0° | 59.3° |
| C32 | C33 | N34 | C37 | 175.9° | 176.9° |
| C33 | C32 | H20 | H21 | 119.6° | 120.1° |
| C32 | C33 | H22 | H23 | 119.5° | 120.1° |
| C12 | C13 | C18 | C19 | 53.0° | 43.2° |
| C12 | C13 | C18 | C17 | 126.7° | 136.9° |
| C13 | C12 | O11 | N10 | 178.1° | 180.0° |
| C12 | C13 | C16 | H9 | 84.9° | 69.7° |
| C12 | C13 | C16 | H10 | 34.1° | 50.5° |
| C12 | C13 | C25 | H11 | 60.4° | 60.0° |
| C12 | C13 | C25 | H12 | 59.6° | 180.0° |
| C12 | C13 | C25 | H13 | 179.6° | 60.0° |
| C18 | C13 | C12 | O11 | 61.4° | 103.5° |
| C13 | C18 | C19 | C17 | 179.7° | 179.9° |
| C13 | C18 | C19 | C22 | 1.2° | 0.1° |
| C13 | C18 | C17 | C14 | 1.4° | 0.1° |
| C13 | C18 | C19 | C20 | 179.1° | 180.0° |
| C13 | C18 | C17 | S21 | 179.8° | 180.0° |
| C18 | C13 | C16 | H9 | 157.1° | 170.5° |
| C18 | C13 | C16 | H10 | 83.9° | 69.3° |
| C18 | C13 | C25 | H11 | 54.6° | 179.7° |
| C18 | C13 | C25 | H12 | 174.6° | 59.7° |
| C18 | C13 | C25 | H13 | 65.4° | 60.3° |
| C15 | C14 | C17 | C18 | 19.7° | 16.8° |
| C15 | C14 | C17 | H7 | 120.2° | 119.8° |
| C15 | C14 | C17 | H8 | 120.2° | 119.8° |
| C15 | C14 | C17 | S21 | 158.6° | 163.4° |
| C14 | C15 | H3 | H4 | 119.3° | 120.2° |
| C15 | C14 | H7 | H8 | 119.4° | 120.4° |
| C14 | C15 | C16 | H9 | 178.7° | 169.7° |
| C14 | C15 | C16 | H10 | 62.3° | 49.5° |
| C8 | N10 | O11 | C12 | 0.1° | 0.4° |
| N31 | C36 | C38 | C35 | 123.7° | 119.9° |
| N31 | C36 | C38 | H26 | 118.5° | 120.1° |
| N31 | C36 | C35 | H26 | 116.7° | 120.0° |
| N31 | C36 | C35 | N34 | 50.0° | 58.4° |
| C36 | N31 | C32 | H20 | 70.2° | 179.4° |
| C36 | N31 | C32 | H21 | 170.0° | 60.7° |
| N31 | C36 | C35 | H24 | 70.2° | 61.5° |
| N31 | C36 | C35 | H25 | 170.3° | 178.4° |
| N31 | C36 | C38 | H30 | 180.0° | 175.3° |
| N31 | C36 | C38 | H31 | 60.0° | 64.7° |
| N31 | C36 | C38 | H32 | 60.0° | 55.3° |
| C38 | C36 | C35 | H26 | 118.1° | 120.0° |
| C38 | C36 | C35 | N34 | 75.2° | 61.5° |
| C38 | C36 | C35 | H24 | 164.6° | 178.5° |
| C38 | C36 | C35 | H25 | 45.1° | 58.4° |
| C36 | C38 | H30 | H31 | 120.0° | 119.9° |
| C36 | C38 | H30 | H32 | 120.0° | 120.1° |
| C36 | C38 | H31 | H32 | 120.0° | 120.0° |
| N23 | C22 | C19 | C18 | 176.7° | 138.5° |
| N23 | C22 | C19 | C20 | 5.5° | 41.5° |
| C33 | N34 | C35 | C36 | 58.5° | 59.3° |
| C33 | N34 | C35 | C37 | 124.4° | 123.8° |
| N34 | C33 | C32 | H20 | 66.6° | 178.4° |
| N34 | C33 | C32 | H21 | 173.6° | 61.6° |
| N34 | C33 | H22 | H23 | 119.5° | 120.0° |
| C33 | N34 | C35 | H24 | 61.8° | 60.6° |
| C33 | N34 | C35 | H25 | 178.8° | 179.3° |
| C33 | N34 | C37 | H27 | 180.0° | 63.9° |
| C33 | N34 | C37 | H28 | 60.0° | 176.0° |
| C33 | N34 | C37 | H29 | 60.0° | 56.0° |
| C18 | C19 | C22 | C20 | 177.7° | 180.0° |
| C19 | C18 | C17 | C14 | 178.9° | 180.0° |
| C19 | C18 | C17 | S21 | 0.5° | 0.1° |
| C18 | C19 | C20 | S21 | 1.5° | 0.0° |
| C18 | C19 | C20 | N24 | 179.0° | 179.9° |
| C17 | C18 | C19 | C22 | 178.6° | 180.0° |
| C18 | C17 | C14 | S21 | 178.3° | 179.9° |
| C17 | C18 | C19 | C20 | 0.7° | 0.1° |
| C18 | C17 | S21 | C20 | 1.1° | 0.1° |
| C18 | C17 | C14 | H7 | 139.9° | 136.5° |
| C18 | C17 | C14 | H8 | 100.5° | 103.0° |
| C22 | C19 | C20 | S21 | 179.5° | 180.0° |
| C22 | C19 | C20 | N24 | 3.0° | 0.0° |
| C36 | C35 | N34 | H24 | 120.3° | 120.0° |
| C36 | C35 | N34 | H25 | 120.3° | 119.9° |
| C36 | C35 | N34 | C37 | 177.1° | 176.8° |
| C36 | C35 | H24 | H25 | 119.2° | 120.1° |
| C35 | C36 | C38 | H30 | 56.3° | 55.5° |
| C35 | C36 | C38 | H31 | 176.3° | 175.4° |
| C35 | C36 | C38 | H32 | 63.7° | 64.6° |
| C14 | C17 | S21 | C20 | 179.6° | 180.0° |
| C17 | C14 | C15 | H3 | 72.1° | 169.9° |
| C17 | C14 | C15 | H4 | 168.3° | 69.9° |
| C17 | C14 | H7 | H8 | 119.4° | 120.4° |
| C19 | C20 | S21 | C17 | 1.5° | 0.1° |
| C19 | C20 | S21 | N24 | 177.7° | 179.9° |
| C19 | C20 | N24 | H36 | 177.3° | 180.0° |
| C19 | C20 | N24 | H37 | 62.7° | 0.1° |
| C17 | S21 | C20 | N24 | 179.2° | 180.0° |
| S21 | C17 | C14 | H7 | 38.4° | 43.6° |
| S21 | C17 | C14 | H8 | 81.2° | 76.8° |
| C35 | N34 | C33 | H22 | 179.8° | 179.3° |
| C35 | N34 | C33 | H23 | 60.2° | 60.6° |
| N34 | C35 | H24 | H25 | 119.2° | 120.1° |
| N34 | C35 | C36 | H26 | 166.8° | 178.4° |
| C35 | N34 | C37 | H27 | 56.1° | 59.9° |
| C35 | N34 | C37 | H28 | 176.1° | 60.2° |
| C35 | N34 | C37 | H29 | 63.9° | 179.8° |
| C37 | N34 | C33 | H22 | 55.7° | 56.8° |
| C37 | N34 | C33 | H23 | 64.0° | 63.2° |
| C37 | N34 | C35 | H24 | 62.6° | 63.2° |
| C37 | N34 | C35 | H25 | 56.8° | 56.9° |
| N34 | C37 | H27 | H28 | 120.0° | 120.0° |
| N34 | C37 | H27 | H29 | 120.0° | 120.0° |
| N34 | C37 | H28 | H29 | 120.0° | 120.0° |
| S21 | C20 | N24 | H36 | 0.0° | 0.1° |
| S21 | C20 | N24 | H37 | 120.0° | 180.0° |
| C20 | N24 | H36 | H37 | 120.0° | 179.9° |
| H3 | C15 | C14 | H7 | 48.1° | 70.4° |
| H3 | C15 | C14 | H8 | 167.7° | 50.1° |
| H3 | C15 | C16 | H9 | 58.5° | 49.9° |
| H3 | C15 | C16 | H10 | 177.5° | 70.3° |
| H4 | C15 | C14 | H7 | 71.5° | 49.8° |
| H4 | C15 | C14 | H8 | 48.1° | 170.3° |
| H4 | C15 | C16 | H9 | 61.1° | 70.4° |
| H4 | C15 | C16 | H10 | 57.9° | 169.5° |
| H5 | C26 | C27 | H14 | 63.1° | 174.1° |
| H5 | C26 | C27 | H15 | 177.1° | 53.8° |
| H6 | C26 | C27 | H14 | 56.7° | 54.1° |
| H6 | C26 | C27 | H15 | 63.1° | 66.3° |
| H11 | C25 | H12 | H13 | 120.0° | 120.0° |
| H16 | C29 | C30 | H18 | 61.9° | 66.5° |
| H16 | C29 | C30 | H19 | 57.7° | 53.6° |
| H17 | C29 | C30 | H18 | 178.4° | 53.9° |
| H17 | C29 | C30 | H19 | 62.0° | 174.0° |
| H20 | C32 | C33 | H22 | 53.5° | 61.6° |
| H20 | C32 | C33 | H23 | 173.2° | 58.5° |
| H21 | C32 | C33 | H22 | 66.2° | 58.4° |
| H21 | C32 | C33 | H23 | 53.5° | 178.5° |
| H24 | C35 | C36 | H26 | 46.5° | 58.5° |
| H25 | C35 | C36 | H26 | 73.0° | 61.6° |
| H26 | C36 | C38 | H30 | 61.5° | 64.6° |
| H26 | C36 | C38 | H31 | 58.5° | 55.3° |
| H26 | C36 | C38 | H32 | 178.5° | 175.3° |
| H27 | C37 | H28 | H29 | 120.0° | 120.0° |
| H30 | C38 | H31 | H32 | 120.0° | 120.0° |
| H33 | C40 | C42 | H34 | 0.0° | 180.0° |
| H33 | C40 | C42 | H35 | 180.0° | 0.1° |
