56O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | N24 | sing | 1.42Å | 1.39Å | |
| O23 | C22 | doub | 1.21Å | 1.22Å | |
| N24 | C22 | sing | 1.35Å | 1.32Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| O34 | C33 | doub | 1.21Å | 1.25Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C33 | O35 | sing | 1.34Å | 1.25Å | |
| C33 | C32 | sing | 1.51Å | 1.51Å | |
| C19 | C71 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C71 | C9 | sing | 1.51Å | 1.49Å | |
| N25 | C20 | sing | 1.35Å | 1.33Å | |
| N25 | C26 | sing | 1.46Å | 1.45Å | |
| C20 | O30 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | doub | 1.35Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.42Å | 1.40Å | Aromatic |
| C31 | C26 | sing | 1.53Å | 1.52Å | |
| C9 | O10 | sing | 1.34Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | N11 | doub | 1.31Å | 1.32Å | Aromatic |
| O10 | N11 | sing | 1.21Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| O36 | C27 | doub | 1.21Å | 1.22Å | |
| C27 | N28 | sing | 1.35Å | 1.33Å | |
| C3 | C12 | sing | 1.48Å | 1.49Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| CL | C16 | sing | 1.74Å | 1.74Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N28 | C29 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N39 | C37 | sing | 1.35Å | 1.33Å | |
| C37 | C29 | sing | 1.51Å | 1.50Å | |
| C37 | O38 | doub | 1.21Å | 1.22Å | |
| C29 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.51Å | 1.51Å | |
| C42 | O43 | doub | 1.21Å | 1.25Å | |
| C42 | O44 | sing | 1.34Å | 1.25Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| O44 | H5 | sing | 0.97Å | 0.95Å | |
| C41 | H6 | sing | 1.09Å | 1.10Å | |
| C41 | H7 | sing | 1.09Å | 1.10Å | |
| C40 | H8 | sing | 1.09Å | 1.10Å | |
| C40 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| N39 | H11 | sing | 0.97Å | 1.00Å | |
| N39 | H12 | sing | 0.97Å | 1.00Å | |
| N28 | H13 | sing | 0.97Å | 1.00Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| O35 | H19 | sing | 0.97Å | 0.95Å | |
| N25 | H20 | sing | 0.97Å | 1.00Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| O24 | H25 | sing | 0.97Å | 0.95Å | |
| C71 | H26 | sing | 1.09Å | 1.10Å | |
| C71 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| C13 | H30 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| C15 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | N24 | C22 | 119.4° | 120.0° |
| O24 | N24 | H24 | 120.3° | 120.0° |
| N24 | O24 | H25 | 109.5° | 114.0° |
| O23 | C22 | N24 | 121.9° | 120.0° |
| O23 | C22 | C21 | 122.7° | 120.0° |
| N24 | C22 | C21 | 115.3° | 120.0° |
| C22 | N24 | H24 | 120.3° | 120.0° |
| C22 | C21 | C19 | 113.3° | 109.5° |
| C22 | C21 | H22 | 108.5° | 109.5° |
| C22 | C21 | H23 | 108.5° | 109.5° |
| O34 | C33 | O35 | 122.9° | 120.0° |
| O34 | C33 | C32 | 118.7° | 120.0° |
| C21 | C19 | C71 | 107.8° | 109.5° |
| C21 | C19 | C20 | 106.3° | 109.5° |
| C21 | C19 | H21 | 110.6° | 109.5° |
| C19 | C21 | H22 | 108.5° | 109.4° |
| C19 | C21 | H23 | 108.5° | 109.5° |
| O35 | C33 | C32 | 118.4° | 120.0° |
| C33 | O35 | H19 | 109.5° | 117.0° |
| C33 | C32 | C31 | 111.8° | 109.5° |
| C33 | C32 | H17 | 108.9° | 109.5° |
| C33 | C32 | H18 | 108.9° | 109.4° |
| C71 | C19 | C20 | 110.1° | 109.5° |
| C19 | C71 | C9 | 118.0° | 109.5° |
| C71 | C19 | H21 | 110.7° | 109.4° |
| C19 | C71 | H26 | 107.3° | 109.5° |
| C19 | C71 | H27 | 107.3° | 109.5° |
| C19 | C20 | N25 | 116.0° | 120.0° |
| C19 | C20 | O30 | 120.6° | 120.0° |
| C20 | C19 | H21 | 111.1° | 109.5° |
| C32 | C31 | C26 | 111.2° | 109.5° |
| C32 | C31 | H15 | 109.1° | 109.5° |
| C32 | C31 | H16 | 109.0° | 109.4° |
| C31 | C32 | H17 | 108.9° | 109.5° |
| C31 | C32 | H18 | 108.9° | 109.5° |
| C71 | C9 | C8 | 133.3° | 126.7° |
| C71 | C9 | O10 | 116.7° | 126.6° |
| C9 | C71 | H26 | 107.3° | 109.5° |
| C9 | C71 | H27 | 107.3° | 109.5° |
| C20 | N25 | C26 | 120.5° | 120.0° |
| N25 | C20 | O30 | 123.3° | 120.0° |
| C20 | N25 | H20 | 119.7° | 120.0° |
| N25 | C26 | C31 | 108.8° | 109.4° |
| N25 | C26 | C27 | 114.7° | 109.5° |
| N25 | C26 | H14 | 108.9° | 109.5° |
| C26 | N25 | H20 | 119.8° | 120.1° |
| C9 | C8 | C7 | 106.4° | 104.0° |
| C8 | C9 | O10 | 110.0° | 106.7° |
| C9 | C8 | H3 | 126.8° | 128.0° |
| C8 | C7 | C6 | 127.5° | 127.0° |
| C8 | C7 | N11 | 109.8° | 106.1° |
| C7 | C8 | H3 | 126.8° | 128.1° |
| C31 | C26 | C27 | 108.1° | 109.5° |
| C31 | C26 | H14 | 108.0° | 109.4° |
| C26 | C31 | H15 | 109.0° | 109.5° |
| C26 | C31 | H16 | 109.0° | 109.5° |
| C9 | O10 | N11 | 106.3° | 111.9° |
| C26 | C27 | O36 | 120.7° | 120.0° |
| C26 | C27 | N28 | 117.2° | 120.0° |
| C27 | C26 | H14 | 108.1° | 109.5° |
| C2 | C1 | C6 | 119.6° | 120.0° |
| C1 | C2 | C3 | 121.5° | 120.0° |
| C1 | C2 | H4 | 119.2° | 120.0° |
| C2 | C1 | H28 | 120.2° | 120.0° |
| C1 | C6 | C7 | 121.4° | 120.0° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C6 | C1 | H28 | 120.2° | 120.0° |
| C2 | C3 | C12 | 119.3° | 120.0° |
| C2 | C3 | C4 | 118.7° | 120.0° |
| C3 | C2 | H4 | 119.3° | 120.0° |
| C6 | C7 | N11 | 122.7° | 126.9° |
| C7 | C6 | C5 | 119.1° | 120.0° |
| C7 | N11 | O10 | 107.4° | 111.4° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C6 | C5 | H2 | 119.7° | 120.0° |
| O36 | C27 | N28 | 122.1° | 120.0° |
| C27 | N28 | C29 | 120.1° | 120.0° |
| C27 | N28 | H13 | 120.0° | 120.0° |
| C12 | C3 | C4 | 122.0° | 120.0° |
| C3 | C12 | C17 | 120.5° | 120.1° |
| C3 | C12 | C13 | 119.4° | 120.1° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C3 | C4 | H1 | 119.9° | 120.0° |
| C12 | C17 | C16 | 119.5° | 119.9° |
| C17 | C12 | C13 | 120.1° | 119.7° |
| C12 | C17 | H29 | 120.3° | 120.0° |
| C17 | C16 | CL | 121.1° | 119.9° |
| C17 | C16 | C15 | 120.2° | 120.1° |
| C16 | C17 | H29 | 120.2° | 120.1° |
| C12 | C13 | C14 | 120.3° | 119.9° |
| C12 | C13 | H30 | 119.9° | 120.0° |
| C5 | C4 | H1 | 119.9° | 120.0° |
| C4 | C5 | H2 | 119.7° | 120.0° |
| CL | C16 | C15 | 118.7° | 119.9° |
| C16 | C15 | C14 | 120.4° | 120.2° |
| C16 | C15 | H32 | 119.8° | 119.9° |
| C13 | C14 | C15 | 119.5° | 120.1° |
| C14 | C13 | H30 | 119.9° | 120.0° |
| C13 | C14 | H31 | 120.3° | 120.0° |
| N28 | C29 | C37 | 111.8° | 109.5° |
| N28 | C29 | C40 | 112.4° | 109.5° |
| N28 | C29 | H10 | 108.7° | 109.5° |
| C29 | N28 | H13 | 120.0° | 120.0° |
| C15 | C14 | H31 | 120.2° | 119.9° |
| C14 | C15 | H32 | 119.8° | 119.9° |
| N39 | C37 | C29 | 116.6° | 120.0° |
| N39 | C37 | O38 | 123.1° | 120.0° |
| C37 | N39 | H11 | 120.0° | 120.0° |
| C37 | N39 | H12 | 120.0° | 120.0° |
| C29 | C37 | O38 | 120.2° | 120.0° |
| C37 | C29 | C40 | 107.7° | 109.5° |
| C37 | C29 | H10 | 108.2° | 109.5° |
| C29 | C40 | C41 | 111.7° | 109.5° |
| C29 | C40 | H8 | 108.9° | 109.5° |
| C29 | C40 | H9 | 108.9° | 109.4° |
| C40 | C29 | H10 | 107.9° | 109.5° |
| C40 | C41 | C42 | 112.4° | 109.5° |
| C40 | C41 | H6 | 108.7° | 109.5° |
| C40 | C41 | H7 | 108.7° | 109.5° |
| C41 | C40 | H8 | 108.9° | 109.5° |
| C41 | C40 | H9 | 108.9° | 109.4° |
| C41 | C42 | O43 | 118.5° | 120.0° |
| C41 | C42 | O44 | 118.4° | 120.0° |
| C42 | C41 | H6 | 108.8° | 109.4° |
| C42 | C41 | H7 | 108.8° | 109.5° |
| O43 | C42 | O44 | 123.1° | 120.0° |
| C42 | O44 | H5 | 109.5° | 117.0° |
| H6 | C41 | H7 | 109.5° | 109.4° |
| H8 | C40 | H9 | 109.5° | 109.5° |
| H11 | N39 | H12 | 120.0° | 120.0° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H17 | C32 | H18 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H26 | C71 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | N24 | C22 | O23 | 1.4° | 0.0° |
| O24 | N24 | C22 | H24 | 180.0° | 179.9° |
| O24 | N24 | C22 | C21 | 179.6° | 180.0° |
| O23 | C22 | N24 | C21 | 178.3° | 180.0° |
| O23 | C22 | C21 | C19 | 79.2° | 2.8° |
| O23 | C22 | C21 | H22 | 160.2° | 117.2° |
| O23 | C22 | C21 | H23 | 41.4° | 122.8° |
| O23 | C22 | N24 | H24 | 178.6° | 179.9° |
| N24 | C22 | C21 | C19 | 99.1° | 177.2° |
| N24 | C22 | C21 | H22 | 21.5° | 62.9° |
| N24 | C22 | C21 | H23 | 140.3° | 57.2° |
| C22 | N24 | O24 | H25 | 0.6° | 180.0° |
| C22 | C21 | C19 | H22 | 120.6° | 120.0° |
| C22 | C21 | C19 | H23 | 120.6° | 120.0° |
| C22 | C21 | C19 | C71 | 61.0° | 61.4° |
| C22 | C21 | C19 | C20 | 179.0° | 58.6° |
| C22 | C21 | C19 | H21 | 60.3° | 178.6° |
| C22 | C21 | H22 | H23 | 118.2° | 120.0° |
| C21 | C22 | N24 | H24 | 0.3° | 0.0° |
| O34 | C33 | O35 | C32 | 179.5° | 179.9° |
| O34 | C33 | C32 | C31 | 91.6° | 0.1° |
| O34 | C33 | C32 | H17 | 28.7° | 119.9° |
| O34 | C33 | C32 | H18 | 148.1° | 120.0° |
| O34 | C33 | O35 | H19 | 0.0° | 0.0° |
| C21 | C19 | C71 | C20 | 115.5° | 120.0° |
| C21 | C19 | C71 | H21 | 121.2° | 120.0° |
| C21 | C19 | C20 | H21 | 120.5° | 120.0° |
| C21 | C19 | C71 | C9 | 162.6° | 65.0° |
| C21 | C19 | C20 | N25 | 93.1° | 60.0° |
| C21 | C19 | C20 | O30 | 84.1° | 120.0° |
| C19 | C21 | H22 | H23 | 118.3° | 120.0° |
| C21 | C19 | C71 | H26 | 41.3° | 55.0° |
| C21 | C19 | C71 | H27 | 76.2° | 174.9° |
| O35 | C33 | C32 | C31 | 87.9° | 180.0° |
| O35 | C33 | C32 | H17 | 151.7° | 60.0° |
| O35 | C33 | C32 | H18 | 32.4° | 60.0° |
| C33 | C32 | C31 | H17 | 120.4° | 120.0° |
| C33 | C32 | C31 | H18 | 120.4° | 120.0° |
| C33 | C32 | C31 | C26 | 164.3° | 180.0° |
| C33 | C32 | C31 | H15 | 75.5° | 60.0° |
| C33 | C32 | C31 | H16 | 44.0° | 60.0° |
| C33 | C32 | H17 | H18 | 119.0° | 120.0° |
| C32 | C33 | O35 | H19 | 179.5° | 180.0° |
| C71 | C19 | C20 | H21 | 123.0° | 120.0° |
| C19 | C71 | C9 | H26 | 121.2° | 120.0° |
| C19 | C71 | C9 | H27 | 121.2° | 120.1° |
| C71 | C19 | C20 | N25 | 150.4° | 180.0° |
| C71 | C19 | C20 | O30 | 32.4° | 0.0° |
| C19 | C71 | C9 | C8 | 52.5° | 86.9° |
| C19 | C71 | C9 | O10 | 131.1° | 93.0° |
| C71 | C19 | C21 | H22 | 59.6° | 58.6° |
| C71 | C19 | C21 | H23 | 178.5° | 178.6° |
| C19 | C71 | H26 | H27 | 116.1° | 120.0° |
| C20 | C19 | C71 | C9 | 81.9° | 175.0° |
| C19 | C20 | N25 | O30 | 177.1° | 180.0° |
| C19 | C20 | N25 | C26 | 178.2° | 180.0° |
| C19 | C20 | N25 | H20 | 1.9° | 0.0° |
| C20 | C19 | C21 | H22 | 58.4° | 178.6° |
| C20 | C19 | C21 | H23 | 60.5° | 61.4° |
| C20 | C19 | C71 | H26 | 156.9° | 65.0° |
| C20 | C19 | C71 | H27 | 39.3° | 54.9° |
| C32 | C31 | C26 | N25 | 53.0° | 65.0° |
| C32 | C31 | C26 | H15 | 120.3° | 120.0° |
| C32 | C31 | C26 | H16 | 120.3° | 120.0° |
| C32 | C31 | C26 | C27 | 178.1° | 175.0° |
| C32 | C31 | C26 | H14 | 65.1° | 55.0° |
| C32 | C31 | H15 | H16 | 119.2° | 120.0° |
| C31 | C32 | H17 | H18 | 118.9° | 120.0° |
| C71 | C9 | C8 | O10 | 176.6° | 179.9° |
| C71 | C9 | C8 | C7 | 177.9° | 179.9° |
| C71 | C9 | O10 | N11 | 178.5° | 180.0° |
| C71 | C9 | C8 | H3 | 2.1° | 0.2° |
| C9 | C71 | C19 | H21 | 41.4° | 55.0° |
| C9 | C71 | H26 | H27 | 116.1° | 120.0° |
| C20 | N25 | C26 | H20 | 180.0° | 180.0° |
| C20 | N25 | C26 | C31 | 141.7° | 85.0° |
| C20 | N25 | C26 | C27 | 97.1° | 155.0° |
| C20 | N25 | C26 | H14 | 24.2° | 34.9° |
| N25 | C20 | C19 | H21 | 27.4° | 60.0° |
| C26 | N25 | C20 | O30 | 1.0° | 0.0° |
| N25 | C26 | C31 | C27 | 125.1° | 120.0° |
| N25 | C26 | C31 | H14 | 118.1° | 120.0° |
| N25 | C26 | C27 | H14 | 121.7° | 120.1° |
| N25 | C26 | C27 | O36 | 24.7° | 0.1° |
| N25 | C26 | C27 | N28 | 157.5° | 180.0° |
| N25 | C26 | C31 | H15 | 173.3° | 55.0° |
| N25 | C26 | C31 | H16 | 67.3° | 175.0° |
| O30 | C20 | N25 | H20 | 179.0° | 180.0° |
| O30 | C20 | C19 | H21 | 155.4° | 120.0° |
| C9 | C8 | C7 | H3 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 179.2° | 180.0° |
| C9 | C8 | C7 | N11 | 0.8° | 0.0° |
| C8 | C9 | O10 | N11 | 1.3° | 0.0° |
| C8 | C9 | C71 | H26 | 68.7° | 33.1° |
| C8 | C9 | C71 | H27 | 173.7° | 153.0° |
| C7 | C8 | C9 | O10 | 1.3° | 0.0° |
| C8 | C7 | C6 | C1 | 9.1° | 0.0° |
| C8 | C7 | C6 | N11 | 180.0° | 180.0° |
| C8 | C7 | N11 | O10 | 0.1° | 0.0° |
| C8 | C7 | C6 | C5 | 171.2° | 180.0° |
| C31 | C26 | C27 | H14 | 116.7° | 120.0° |
| C31 | C26 | C27 | O36 | 96.9° | 120.0° |
| C31 | C26 | C27 | N28 | 81.0° | 60.0° |
| C26 | C31 | H15 | H16 | 119.2° | 120.0° |
| C26 | C31 | C32 | H17 | 43.9° | 60.0° |
| C26 | C31 | C32 | H18 | 75.4° | 60.0° |
| C31 | C26 | N25 | H20 | 38.3° | 95.0° |
| C9 | O10 | N11 | C7 | 0.7° | 0.0° |
| O10 | C9 | C8 | H3 | 178.7° | 179.7° |
| O10 | C9 | C71 | H26 | 107.7° | 147.0° |
| O10 | C9 | C71 | H27 | 9.9° | 27.0° |
| C26 | C27 | O36 | N28 | 177.8° | 180.0° |
| C26 | C27 | N28 | C29 | 178.9° | 180.0° |
| C26 | C27 | N28 | H13 | 1.1° | 0.1° |
| C27 | C26 | C31 | H15 | 61.6° | 65.0° |
| C27 | C26 | C31 | H16 | 57.9° | 55.0° |
| C27 | C26 | N25 | H20 | 82.9° | 24.9° |
| C2 | C1 | C6 | H28 | 180.0° | 179.8° |
| C1 | C2 | C3 | H4 | 180.0° | 180.0° |
| C2 | C1 | C6 | C7 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | C12 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C1 | C6 | C7 | C5 | 179.6° | 180.0° |
| C1 | C6 | C7 | N11 | 170.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H2 | 179.9° | 179.9° |
| C6 | C1 | C2 | H4 | 179.9° | 179.7° |
| C2 | C3 | C12 | C4 | 179.7° | 179.4° |
| C2 | C3 | C12 | C17 | 41.0° | 0.4° |
| C2 | C3 | C12 | C13 | 138.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.5° |
| C2 | C3 | C4 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | H28 | 179.9° | 179.9° |
| C6 | C7 | N11 | O10 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 179.7° | 180.0° |
| C7 | C6 | C5 | H2 | 0.3° | 0.1° |
| C6 | C7 | C8 | H3 | 0.8° | 0.3° |
| C7 | C6 | C1 | H28 | 0.5° | 0.2° |
| N11 | C7 | C6 | C5 | 8.7° | 0.0° |
| N11 | C7 | C8 | H3 | 179.2° | 179.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.9° | 180.0° |
| C5 | C6 | C1 | H28 | 179.9° | 179.8° |
| O36 | C27 | N28 | C29 | 1.1° | 0.0° |
| O36 | C27 | N28 | H13 | 178.9° | 180.0° |
| O36 | C27 | C26 | H14 | 146.4° | 120.0° |
| C27 | N28 | C29 | H13 | 180.0° | 180.0° |
| C27 | N28 | C29 | C37 | 64.8° | 85.0° |
| C27 | N28 | C29 | C40 | 174.0° | 155.0° |
| C27 | N28 | C29 | H10 | 54.6° | 35.0° |
| N28 | C27 | C26 | H14 | 35.8° | 59.9° |
| C3 | C12 | C17 | C13 | 178.9° | 179.6° |
| C3 | C12 | C17 | C16 | 179.6° | 180.0° |
| C12 | C3 | C4 | C5 | 179.7° | 180.0° |
| C3 | C12 | C13 | C14 | 179.6° | 180.0° |
| C12 | C3 | C4 | H1 | 0.3° | 0.3° |
| C12 | C3 | C2 | H4 | 0.4° | 0.1° |
| C3 | C12 | C17 | H29 | 0.4° | 0.2° |
| C3 | C12 | C13 | H30 | 0.4° | 0.0° |
| C4 | C3 | C12 | C17 | 139.4° | 179.8° |
| C4 | C3 | C12 | C13 | 41.7° | 0.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | H2 | 179.9° | 179.8° |
| C4 | C3 | C2 | H4 | 179.9° | 179.5° |
| C12 | C17 | C16 | H29 | 180.0° | 179.9° |
| C12 | C17 | C16 | CL | 179.7° | 179.9° |
| C12 | C17 | C16 | C15 | 0.3° | 0.1° |
| C17 | C12 | C13 | C14 | 0.7° | 0.3° |
| C17 | C12 | C13 | H30 | 179.3° | 179.6° |
| C16 | C17 | C12 | C13 | 0.7° | 0.3° |
| C17 | C16 | CL | C15 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.2° |
| C17 | C16 | C15 | H32 | 179.9° | 179.9° |
| C12 | C13 | C14 | H30 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C13 | C12 | C17 | H29 | 179.3° | 179.8° |
| C12 | C13 | C14 | H31 | 179.7° | 180.0° |
| CL | C16 | C15 | C14 | 180.0° | 179.8° |
| CL | C16 | C17 | H29 | 0.4° | 0.0° |
| CL | C16 | C15 | H32 | 0.0° | 0.1° |
| C16 | C15 | C14 | C13 | 0.1° | 0.2° |
| C16 | C15 | C14 | H32 | 180.0° | 179.7° |
| C15 | C16 | C17 | H29 | 179.7° | 180.0° |
| C16 | C15 | C14 | H31 | 179.9° | 179.7° |
| C13 | C14 | C15 | H31 | 180.0° | 179.9° |
| C13 | C14 | C15 | H32 | 179.9° | 179.9° |
| N28 | C29 | C37 | N39 | 36.7° | 180.0° |
| N28 | C29 | C37 | C40 | 123.9° | 120.0° |
| N28 | C29 | C37 | H10 | 119.7° | 120.0° |
| N28 | C29 | C37 | O38 | 143.7° | 0.0° |
| N28 | C29 | C40 | H10 | 119.8° | 120.0° |
| N28 | C29 | C40 | C41 | 57.8° | 65.0° |
| N28 | C29 | C40 | H8 | 62.5° | 175.0° |
| N28 | C29 | C40 | H9 | 178.2° | 55.0° |
| C15 | C14 | C13 | H30 | 179.7° | 179.9° |
| N39 | C37 | C29 | O38 | 179.5° | 180.0° |
| N39 | C37 | C29 | C40 | 87.2° | 60.0° |
| N39 | C37 | C29 | H10 | 156.4° | 60.0° |
| C37 | N39 | H11 | H12 | 180.0° | 180.0° |
| C37 | C29 | C40 | H10 | 116.5° | 120.0° |
| C37 | C29 | C40 | C41 | 178.5° | 175.1° |
| C37 | C29 | C40 | H8 | 61.1° | 55.0° |
| C37 | C29 | C40 | H9 | 58.2° | 65.0° |
| C29 | C37 | N39 | H11 | 179.5° | 0.0° |
| C29 | C37 | N39 | H12 | 0.5° | 180.0° |
| C37 | C29 | N28 | H13 | 115.2° | 95.0° |
| O38 | C37 | C29 | C40 | 92.3° | 120.0° |
| O38 | C37 | C29 | H10 | 24.0° | 120.0° |
| O38 | C37 | N39 | H11 | 0.0° | 180.0° |
| O38 | C37 | N39 | H12 | 180.0° | 0.0° |
| C29 | C40 | C41 | H8 | 120.3° | 120.0° |
| C29 | C40 | C41 | H9 | 120.4° | 119.9° |
| C29 | C40 | C41 | C42 | 168.0° | 180.0° |
| C29 | C40 | C41 | H6 | 47.5° | 60.0° |
| C29 | C40 | C41 | H7 | 71.6° | 60.0° |
| C29 | C40 | H8 | H9 | 119.0° | 120.0° |
| C40 | C29 | N28 | H13 | 6.0° | 25.0° |
| C40 | C41 | C42 | H6 | 120.4° | 120.1° |
| C40 | C41 | C42 | H7 | 120.4° | 120.0° |
| C40 | C41 | C42 | O43 | 42.1° | 0.0° |
| C40 | C41 | C42 | O44 | 138.1° | 179.9° |
| C40 | C41 | H6 | H7 | 118.6° | 120.0° |
| C41 | C40 | H8 | H9 | 119.0° | 120.0° |
| C41 | C40 | C29 | H10 | 62.0° | 55.0° |
| C41 | C42 | O43 | O44 | 179.7° | 179.9° |
| C41 | C42 | O44 | H5 | 179.7° | 180.0° |
| C42 | C41 | H6 | H7 | 118.7° | 120.0° |
| C42 | C41 | C40 | H8 | 71.7° | 60.0° |
| C42 | C41 | C40 | H9 | 47.6° | 60.0° |
| O43 | C42 | O44 | H5 | 0.0° | 0.1° |
| O43 | C42 | C41 | H6 | 162.6° | 120.1° |
| O43 | C42 | C41 | H7 | 78.3° | 120.0° |
| O44 | C42 | C41 | H6 | 17.7° | 60.0° |
| O44 | C42 | C41 | H7 | 101.4° | 59.9° |
| H1 | C4 | C5 | H2 | 0.1° | 0.1° |
| H4 | C2 | C1 | H28 | 0.1° | 0.1° |
| H6 | C41 | C40 | H8 | 167.9° | 180.0° |
| H6 | C41 | C40 | H9 | 72.8° | 60.0° |
| H7 | C41 | C40 | H8 | 48.8° | 60.0° |
| H7 | C41 | C40 | H9 | 168.1° | 179.9° |
| H8 | C40 | C29 | H10 | 177.7° | 65.0° |
| H9 | C40 | C29 | H10 | 58.4° | 174.9° |
| H10 | C29 | N28 | H13 | 125.4° | 145.0° |
| H14 | C26 | C31 | H15 | 55.2° | 175.0° |
| H14 | C26 | C31 | H16 | 174.7° | 65.0° |
| H14 | C26 | N25 | H20 | 155.8° | 145.0° |
| H15 | C31 | C32 | H17 | 164.1° | 180.0° |
| H15 | C31 | C32 | H18 | 44.9° | 60.0° |
| H16 | C31 | C32 | H17 | 76.4° | 60.1° |
| H16 | C31 | C32 | H18 | 164.4° | 180.0° |
| H21 | C19 | C21 | H22 | 179.1° | 61.4° |
| H21 | C19 | C21 | H23 | 60.3° | 58.6° |
| H21 | C19 | C71 | H26 | 79.8° | 175.0° |
| H21 | C19 | C71 | H27 | 162.6° | 65.1° |
| H24 | N24 | O24 | H25 | 179.3° | 0.1° |
| H30 | C13 | C14 | H31 | 0.3° | 0.0° |
| H31 | C14 | C15 | H32 | 0.0° | 0.0° |
