A6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C36 | sing | 1.51Å | 1.52Å | |
| N37 | C36 | sing | 1.34Å | 1.38Å | Aromatic |
| N37 | C38 | doub | 1.31Å | 1.35Å | Aromatic |
| C36 | C35 | doub | 1.35Å | 1.43Å | Aromatic |
| C38 | N34 | sing | 1.36Å | 1.35Å | Aromatic |
| C35 | N34 | sing | 1.37Å | 1.38Å | Aromatic |
| N34 | C30 | sing | 1.40Å | 1.43Å | |
| C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| F48 | C45 | sing | 1.40Å | 1.34Å | |
| C29 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C45 | sing | 1.51Å | 1.51Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C45 | F46 | sing | 1.40Å | 1.33Å | |
| C45 | F47 | sing | 1.40Å | 1.34Å | |
| C28 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | N26 | sing | 1.40Å | 1.44Å | |
| N26 | C21 | sing | 1.35Å | 1.43Å | |
| C21 | O27 | doub | 1.21Å | 1.23Å | |
| C21 | C17 | sing | 1.48Å | 1.56Å | |
| C16 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | O19 | sing | 1.43Å | 1.44Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| O19 | C15 | sing | 1.36Å | 1.43Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C20 | sing | 1.51Å | 1.51Å | |
| C18 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.44Å | 1.53Å | |
| C44 | N25 | sing | 1.48Å | 1.47Å | |
| N25 | C24 | sing | 1.36Å | 1.46Å | |
| C12 | C11 | trip | 1.19Å | 1.14Å | |
| C24 | C22 | sing | 1.51Å | 1.56Å | |
| C24 | O40 | doub | 1.21Å | 1.22Å | |
| C11 | C07 | sing | 1.43Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | N03 | sing | 1.37Å | 1.39Å | Aromatic |
| C23 | N10 | sing | 1.48Å | 1.45Å | |
| N02 | N03 | sing | 1.40Å | 1.33Å | |
| N02 | C01 | doub | 1.31Å | 1.32Å | |
| C08 | N09 | sing | 1.33Å | 1.38Å | Aromatic |
| N03 | C04 | sing | 1.37Å | 1.26Å | Aromatic |
| N10 | C01 | sing | 1.41Å | 1.43Å | |
| C01 | C06 | sing | 1.40Å | 1.43Å | |
| N09 | C04 | doub | 1.33Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.45Å | |
| C06 | C05 | doub | 1.36Å | 1.43Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| N25 | H14 | sing | 0.97Å | 1.00Å | |
| N26 | H15 | sing | 0.97Å | 1.00Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| C38 | H20 | sing | 1.08Å | 1.08Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C43 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C36 | N37 | 126.6° | 125.9° |
| C39 | C36 | C35 | 126.7° | 125.9° |
| C36 | C39 | H21 | 109.5° | 109.5° |
| C36 | C39 | H22 | 109.4° | 109.5° |
| C36 | C39 | H23 | 109.5° | 109.4° |
| C36 | N37 | C38 | 108.3° | 109.4° |
| N37 | C36 | C35 | 106.7° | 108.2° |
| N37 | C38 | N34 | 110.2° | 108.5° |
| N37 | C38 | H20 | 124.9° | 125.7° |
| C36 | C35 | N34 | 106.5° | 106.8° |
| C36 | C35 | H19 | 126.7° | 126.6° |
| C38 | N34 | C35 | 108.3° | 107.1° |
| C38 | N34 | C30 | 125.5° | 126.4° |
| N34 | C38 | H20 | 124.9° | 125.8° |
| C35 | N34 | C30 | 126.2° | 126.5° |
| N34 | C35 | H19 | 126.8° | 126.6° |
| N34 | C30 | C31 | 121.7° | 120.0° |
| N34 | C30 | C29 | 118.9° | 120.0° |
| C31 | C30 | C29 | 119.4° | 119.9° |
| C30 | C31 | C32 | 120.2° | 120.0° |
| C30 | C31 | H17 | 119.9° | 120.0° |
| C30 | C29 | C28 | 120.8° | 119.9° |
| C30 | C29 | H16 | 119.6° | 120.0° |
| C31 | C32 | C45 | 119.7° | 119.9° |
| C31 | C32 | C33 | 120.3° | 120.2° |
| C32 | C31 | H17 | 119.9° | 120.0° |
| F48 | C45 | C32 | 109.5° | 109.5° |
| F48 | C45 | F46 | 108.4° | 109.4° |
| F48 | C45 | F47 | 110.7° | 109.4° |
| C29 | C28 | C33 | 119.7° | 119.9° |
| C29 | C28 | N26 | 116.7° | 120.0° |
| C28 | C29 | H16 | 119.6° | 120.1° |
| C45 | C32 | C33 | 120.0° | 119.9° |
| C32 | C45 | F46 | 109.5° | 109.5° |
| C32 | C45 | F47 | 109.5° | 109.5° |
| C32 | C33 | C28 | 119.7° | 120.1° |
| C32 | C33 | H18 | 120.1° | 120.0° |
| F46 | C45 | F47 | 109.3° | 109.5° |
| C33 | C28 | N26 | 123.6° | 120.0° |
| C28 | C33 | H18 | 120.1° | 120.0° |
| C28 | N26 | C21 | 121.6° | 120.0° |
| C28 | N26 | H15 | 119.2° | 120.0° |
| N26 | C21 | O27 | 121.4° | 120.0° |
| N26 | C21 | C17 | 118.6° | 120.0° |
| C21 | N26 | H15 | 119.2° | 120.0° |
| O27 | C21 | C17 | 119.8° | 120.0° |
| C21 | C17 | C16 | 116.3° | 120.0° |
| C21 | C17 | C18 | 123.7° | 119.9° |
| C17 | C16 | C15 | 120.6° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.1° |
| C17 | C16 | H11 | 119.7° | 120.0° |
| C16 | C15 | O19 | 120.3° | 120.3° |
| C16 | C15 | C14 | 120.0° | 120.2° |
| C15 | C16 | H11 | 119.7° | 120.0° |
| O19 | C41 | C42 | 110.8° | 109.9° |
| C41 | O19 | C15 | 110.2° | 116.7° |
| O19 | C41 | H24 | 109.1° | 109.4° |
| O19 | C41 | H25 | 109.2° | 109.4° |
| C41 | C42 | C43 | 113.9° | 109.5° |
| C42 | C41 | H24 | 109.1° | 109.4° |
| C42 | C41 | H25 | 109.1° | 109.4° |
| C41 | C42 | H26 | 108.3° | 109.5° |
| C41 | C42 | H27 | 108.4° | 109.5° |
| C17 | C18 | C20 | 122.3° | 120.2° |
| C17 | C18 | C13 | 118.7° | 119.6° |
| O19 | C15 | C14 | 119.8° | 119.5° |
| C42 | C43 | C44 | 114.6° | 109.8° |
| C43 | C42 | H26 | 108.4° | 109.4° |
| C43 | C42 | H27 | 108.3° | 109.5° |
| C42 | C43 | H28 | 108.2° | 109.4° |
| C42 | C43 | H29 | 108.2° | 109.4° |
| C15 | C14 | C13 | 119.3° | 120.2° |
| C15 | C14 | H10 | 120.4° | 119.9° |
| C20 | C18 | C13 | 119.0° | 120.2° |
| C18 | C20 | H1 | 109.5° | 109.5° |
| C18 | C20 | H2 | 109.5° | 109.5° |
| C18 | C20 | H3 | 109.5° | 109.5° |
| C18 | C13 | C14 | 121.4° | 120.0° |
| C18 | C13 | C12 | 119.2° | 120.5° |
| C43 | C44 | N25 | 111.0° | 108.8° |
| C44 | C43 | H28 | 108.2° | 109.4° |
| C44 | C43 | H29 | 108.2° | 109.4° |
| C43 | C44 | H30 | 109.1° | 109.6° |
| C43 | C44 | H31 | 109.1° | 109.6° |
| C14 | C13 | C12 | 119.4° | 119.6° |
| C13 | C14 | H10 | 120.3° | 119.9° |
| C13 | C12 | C11 | 179.2° | 161.8° |
| C44 | N25 | C24 | 120.5° | 116.0° |
| C44 | N25 | H14 | 119.7° | 122.0° |
| N25 | C44 | H30 | 109.1° | 109.6° |
| N25 | C44 | H31 | 109.1° | 109.6° |
| N25 | C24 | C22 | 120.7° | 119.4° |
| N25 | C24 | O40 | 119.9° | 120.3° |
| C24 | N25 | H14 | 119.7° | 122.0° |
| C12 | C11 | C07 | 178.6° | 166.8° |
| C22 | C24 | O40 | 119.4° | 120.3° |
| C24 | C22 | C23 | 111.2° | 109.0° |
| C24 | C22 | H4 | 109.0° | 109.6° |
| C24 | C22 | H5 | 109.0° | 109.5° |
| C11 | C07 | C08 | 132.8° | 126.2° |
| C11 | C07 | N03 | 121.8° | 127.3° |
| C22 | C23 | N10 | 111.1° | 109.4° |
| C23 | C22 | H4 | 109.0° | 109.5° |
| C23 | C22 | H5 | 109.0° | 109.6° |
| C22 | C23 | H12 | 109.1° | 109.5° |
| C22 | C23 | H13 | 109.1° | 109.5° |
| C08 | C07 | N03 | 105.4° | 106.5° |
| C07 | C08 | N09 | 106.0° | 108.2° |
| C07 | C08 | H8 | 127.0° | 125.9° |
| C07 | N03 | N02 | 123.0° | 133.1° |
| C07 | N03 | C04 | 111.3° | 107.0° |
| C23 | N10 | C01 | 117.8° | 115.2° |
| C23 | N10 | H9 | 107.4° | 122.4° |
| N10 | C23 | H12 | 109.0° | 109.5° |
| N10 | C23 | H13 | 109.1° | 109.5° |
| N03 | N02 | C01 | 118.9° | 120.6° |
| N02 | N03 | C04 | 125.7° | 119.8° |
| N02 | C01 | N10 | 118.1° | 119.5° |
| N02 | C01 | C06 | 121.3° | 121.0° |
| C08 | N09 | C04 | 107.8° | 109.6° |
| N09 | C08 | H8 | 127.0° | 125.9° |
| N03 | C04 | N09 | 109.5° | 108.6° |
| N03 | C04 | C05 | 121.4° | 119.4° |
| N10 | C01 | C06 | 120.5° | 119.5° |
| C01 | N10 | H9 | 107.3° | 122.4° |
| C01 | C06 | C05 | 118.3° | 119.8° |
| C01 | C06 | H7 | 120.8° | 120.0° |
| N09 | C04 | C05 | 129.0° | 132.0° |
| C04 | C05 | C06 | 114.4° | 119.3° |
| C04 | C05 | H6 | 122.8° | 120.4° |
| C06 | C05 | H6 | 122.8° | 120.3° |
| C05 | C06 | H7 | 120.9° | 120.1° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H1 | C20 | H3 | 109.4° | 109.4° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.6° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H21 | C39 | H22 | 109.5° | 109.5° |
| H21 | C39 | H23 | 109.5° | 109.4° |
| H22 | C39 | H23 | 109.5° | 109.5° |
| H24 | C41 | H25 | 109.5° | 109.3° |
| H26 | C42 | H27 | 109.5° | 109.5° |
| H28 | C43 | H29 | 109.4° | 109.4° |
| H30 | C44 | H31 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C36 | N37 | C35 | 180.0° | 179.9° |
| C39 | C36 | N37 | C38 | 180.0° | 179.8° |
| C39 | C36 | C35 | N34 | 179.8° | 180.0° |
| C39 | C36 | C35 | H19 | 0.2° | 0.1° |
| C36 | C39 | H21 | H22 | 120.0° | 120.0° |
| C36 | C39 | H21 | H23 | 120.0° | 119.9° |
| C36 | C39 | H22 | H23 | 120.0° | 120.0° |
| C36 | N37 | C38 | N34 | 0.2° | 0.4° |
| N37 | C36 | C35 | N34 | 0.2° | 0.0° |
| N37 | C36 | C35 | H19 | 179.8° | 180.0° |
| C36 | N37 | C38 | H20 | 179.8° | 180.0° |
| N37 | C36 | C39 | H21 | 0.0° | 90.1° |
| N37 | C36 | C39 | H22 | 120.0° | 30.0° |
| N37 | C36 | C39 | H23 | 120.0° | 150.0° |
| C38 | N37 | C36 | C35 | 0.0° | 0.3° |
| N37 | C38 | N34 | H20 | 180.0° | 179.6° |
| N37 | C38 | N34 | C35 | 0.3° | 0.4° |
| N37 | C38 | N34 | C30 | 179.4° | 179.9° |
| C36 | C35 | N34 | C38 | 0.3° | 0.2° |
| C36 | C35 | N34 | H19 | 180.0° | 180.0° |
| C36 | C35 | N34 | C30 | 179.4° | 179.9° |
| C35 | C36 | C39 | H21 | 180.0° | 90.0° |
| C35 | C36 | C39 | H22 | 60.0° | 149.9° |
| C35 | C36 | C39 | H23 | 60.0° | 29.9° |
| C38 | N34 | C35 | C30 | 179.1° | 179.7° |
| C38 | N34 | C30 | C31 | 98.3° | 0.3° |
| C38 | N34 | C30 | C29 | 81.7° | 179.7° |
| C38 | N34 | C35 | H19 | 179.7° | 179.7° |
| C35 | N34 | C30 | C31 | 82.8° | 180.0° |
| C35 | N34 | C30 | C29 | 97.2° | 0.0° |
| C35 | N34 | C38 | H20 | 179.7° | 180.0° |
| N34 | C30 | C31 | C29 | 180.0° | 180.0° |
| N34 | C30 | C31 | C32 | 179.9° | 179.9° |
| N34 | C30 | C29 | C28 | 179.2° | 180.0° |
| N34 | C30 | C29 | H16 | 0.8° | 0.0° |
| N34 | C30 | C31 | H17 | 0.1° | 0.0° |
| C30 | N34 | C35 | H19 | 0.6° | 0.1° |
| C30 | N34 | C38 | H20 | 0.6° | 0.3° |
| C30 | C31 | C32 | H17 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.7° | 0.0° |
| C30 | C31 | C32 | C45 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.1° |
| C31 | C30 | C29 | H16 | 179.2° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.1° |
| C30 | C29 | C28 | H16 | 180.0° | 180.0° |
| C30 | C29 | C28 | C33 | 1.3° | 0.0° |
| C30 | C29 | C28 | N26 | 178.9° | 179.7° |
| C29 | C30 | C31 | H17 | 179.9° | 180.0° |
| C31 | C32 | C45 | F48 | 32.0° | 30.0° |
| C31 | C32 | C45 | C33 | 179.8° | 179.9° |
| C31 | C32 | C45 | F46 | 86.8° | 89.9° |
| C31 | C32 | C45 | F47 | 153.5° | 150.0° |
| C31 | C32 | C33 | C28 | 0.3° | 0.0° |
| C31 | C32 | C33 | H18 | 179.7° | 179.7° |
| F48 | C45 | C32 | F46 | 118.7° | 120.0° |
| F48 | C45 | C32 | F47 | 121.5° | 120.0° |
| F48 | C45 | C32 | C33 | 147.8° | 150.0° |
| F48 | C45 | F46 | F47 | 120.7° | 119.9° |
| C29 | C28 | C33 | C32 | 1.1° | 0.0° |
| C29 | C28 | C33 | N26 | 177.4° | 179.7° |
| C29 | C28 | N26 | C21 | 140.2° | 146.8° |
| C29 | C28 | N26 | H15 | 39.8° | 33.3° |
| C29 | C28 | C33 | H18 | 178.9° | 179.7° |
| C32 | C45 | F46 | F47 | 119.9° | 120.1° |
| C45 | C32 | C33 | C28 | 179.5° | 180.0° |
| C45 | C32 | C31 | H17 | 0.0° | 0.1° |
| C45 | C32 | C33 | H18 | 0.5° | 0.3° |
| C33 | C32 | C45 | F46 | 93.5° | 90.0° |
| C33 | C32 | C45 | F47 | 26.3° | 30.1° |
| C32 | C33 | C28 | H18 | 180.0° | 179.7° |
| C32 | C33 | C28 | N26 | 178.5° | 179.7° |
| C33 | C32 | C31 | H17 | 179.7° | 180.0° |
| C33 | C28 | N26 | C21 | 37.2° | 33.0° |
| C33 | C28 | N26 | H15 | 142.8° | 146.9° |
| C33 | C28 | C29 | H16 | 178.7° | 180.0° |
| C28 | N26 | C21 | H15 | 180.0° | 179.9° |
| C28 | N26 | C21 | O27 | 0.4° | 4.9° |
| C28 | N26 | C21 | C17 | 176.4° | 175.1° |
| N26 | C28 | C29 | H16 | 1.1° | 0.3° |
| N26 | C28 | C33 | H18 | 1.5° | 0.0° |
| N26 | C21 | O27 | C17 | 175.9° | 180.0° |
| N26 | C21 | C17 | C16 | 35.2° | 6.1° |
| N26 | C21 | C17 | C18 | 147.6° | 173.8° |
| O27 | C21 | C17 | C16 | 140.8° | 173.9° |
| O27 | C21 | C17 | C18 | 36.4° | 6.2° |
| O27 | C21 | N26 | H15 | 179.6° | 175.2° |
| C21 | C17 | C16 | C18 | 177.3° | 179.9° |
| C21 | C17 | C16 | C15 | 178.9° | 179.8° |
| C21 | C17 | C18 | C20 | 2.5° | 0.1° |
| C21 | C17 | C18 | C13 | 179.0° | 179.9° |
| C21 | C17 | C16 | H11 | 1.1° | 0.0° |
| C17 | C21 | N26 | H15 | 3.6° | 4.8° |
| C17 | C16 | C15 | H11 | 180.0° | 179.8° |
| C17 | C16 | C15 | O19 | 179.9° | 179.7° |
| C17 | C16 | C15 | C14 | 1.2° | 0.0° |
| C16 | C17 | C18 | C20 | 179.6° | 180.0° |
| C16 | C17 | C18 | C13 | 1.9° | 0.0° |
| C16 | C15 | O19 | C41 | 75.5° | 149.9° |
| C15 | C16 | C17 | C18 | 1.6° | 0.1° |
| C16 | C15 | O19 | C14 | 178.7° | 179.7° |
| C16 | C15 | C14 | C13 | 1.2° | 0.2° |
| C16 | C15 | C14 | H10 | 178.8° | 179.8° |
| O19 | C41 | C42 | H24 | 120.2° | 120.1° |
| O19 | C41 | C42 | H25 | 120.2° | 120.2° |
| O19 | C41 | C42 | C43 | 72.7° | 160.3° |
| C41 | O19 | C15 | C14 | 103.2° | 29.8° |
| O19 | C41 | H24 | H25 | 119.4° | 119.8° |
| O19 | C41 | C42 | H26 | 166.6° | 40.4° |
| O19 | C41 | C42 | H27 | 47.9° | 79.7° |
| C42 | C41 | O19 | C15 | 141.6° | 131.8° |
| C41 | C42 | C43 | H26 | 120.7° | 120.0° |
| C41 | C42 | C43 | H27 | 120.6° | 120.0° |
| C41 | C42 | C43 | C44 | 55.0° | 135.8° |
| C42 | C41 | H24 | H25 | 119.4° | 119.8° |
| C41 | C42 | H26 | H27 | 118.0° | 120.1° |
| C41 | C42 | C43 | H28 | 175.8° | 15.8° |
| C41 | C42 | C43 | H29 | 65.8° | 104.0° |
| C17 | C18 | C20 | C13 | 178.5° | 180.0° |
| C17 | C18 | C13 | C14 | 1.9° | 0.2° |
| C17 | C18 | C13 | C12 | 179.7° | 179.9° |
| C17 | C18 | C20 | H1 | 90.8° | 83.5° |
| C17 | C18 | C20 | H2 | 149.2° | 156.6° |
| C17 | C18 | C20 | H3 | 29.2° | 36.5° |
| C18 | C17 | C16 | H11 | 178.4° | 179.9° |
| O19 | C15 | C14 | C13 | 179.8° | 179.5° |
| O19 | C15 | C14 | H10 | 0.2° | 0.5° |
| O19 | C15 | C16 | H11 | 0.1° | 0.5° |
| C15 | O19 | C41 | H24 | 21.4° | 11.7° |
| C15 | O19 | C41 | H25 | 98.2° | 108.1° |
| C42 | C43 | C44 | H28 | 120.8° | 120.1° |
| C42 | C43 | C44 | H29 | 120.8° | 120.1° |
| C42 | C43 | C44 | N25 | 133.9° | 107.6° |
| C43 | C42 | C41 | H24 | 47.5° | 79.6° |
| C43 | C42 | C41 | H25 | 167.1° | 40.2° |
| C43 | C42 | H26 | H27 | 118.0° | 120.0° |
| C42 | C43 | H28 | H29 | 117.6° | 119.9° |
| C42 | C43 | C44 | H30 | 105.8° | 12.2° |
| C42 | C43 | C44 | H31 | 13.7° | 132.6° |
| C15 | C14 | C13 | C18 | 1.5° | 0.3° |
| C15 | C14 | C13 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.9° | 180.0° |
| C14 | C15 | C16 | H11 | 178.8° | 179.8° |
| C20 | C18 | C13 | C14 | 179.6° | 179.8° |
| C20 | C18 | C13 | C12 | 1.2° | 0.1° |
| C18 | C20 | H1 | H2 | 120.0° | 120.0° |
| C18 | C20 | H1 | H3 | 120.0° | 120.0° |
| C18 | C20 | H2 | H3 | 120.0° | 120.1° |
| C18 | C13 | C14 | C12 | 178.4° | 179.7° |
| C18 | C13 | C12 | C11 | 90.1° | 171.8° |
| C13 | C18 | C20 | H1 | 90.7° | 96.5° |
| C13 | C18 | C20 | H2 | 29.3° | 23.5° |
| C13 | C18 | C20 | H3 | 149.3° | 143.5° |
| C18 | C13 | C14 | H10 | 178.5° | 179.7° |
| C43 | C44 | N25 | H30 | 120.2° | 119.8° |
| C43 | C44 | N25 | H31 | 120.2° | 119.8° |
| C43 | C44 | N25 | C24 | 127.6° | 142.1° |
| C43 | C44 | N25 | H14 | 52.4° | 37.9° |
| C44 | C43 | C42 | H26 | 65.6° | 104.2° |
| C44 | C43 | C42 | H27 | 175.7° | 15.8° |
| C44 | C43 | H28 | H29 | 117.7° | 119.9° |
| C43 | C44 | H30 | H31 | 119.3° | 120.3° |
| C14 | C13 | C12 | C11 | 88.3° | 7.9° |
| C13 | C12 | C11 | C07 | 10.9° | 173.4° |
| C12 | C13 | C14 | H10 | 0.1° | 0.0° |
| C44 | N25 | C24 | H14 | 180.0° | 180.0° |
| C44 | N25 | C24 | C22 | 0.4° | 167.9° |
| C44 | N25 | C24 | O40 | 180.0° | 12.1° |
| N25 | C44 | C43 | H28 | 13.2° | 12.4° |
| N25 | C44 | C43 | H29 | 105.3° | 132.3° |
| N25 | C44 | H30 | H31 | 119.3° | 120.4° |
| N25 | C24 | C22 | O40 | 179.6° | 180.0° |
| N25 | C24 | C22 | C23 | 139.8° | 132.1° |
| N25 | C24 | C22 | H4 | 19.5° | 12.3° |
| N25 | C24 | C22 | H5 | 100.0° | 108.0° |
| C24 | N25 | C44 | H30 | 7.4° | 22.4° |
| C24 | N25 | C44 | H31 | 112.2° | 98.1° |
| C12 | C11 | C07 | C08 | 151.9° | 4.1° |
| C12 | C11 | C07 | N03 | 26.9° | 175.5° |
| C24 | C22 | C23 | H4 | 120.2° | 119.9° |
| C24 | C22 | C23 | H5 | 120.3° | 119.8° |
| C24 | C22 | C23 | N10 | 130.6° | 179.7° |
| C24 | C22 | H4 | H5 | 119.2° | 120.2° |
| C24 | C22 | C23 | H12 | 10.4° | 59.7° |
| C24 | C22 | C23 | H13 | 109.1° | 60.3° |
| C22 | C24 | N25 | H14 | 179.7° | 12.1° |
| O40 | C24 | C22 | C23 | 40.6° | 47.9° |
| O40 | C24 | C22 | H4 | 160.9° | 167.8° |
| O40 | C24 | C22 | H5 | 79.7° | 71.9° |
| O40 | C24 | N25 | H14 | 0.1° | 167.9° |
| C11 | C07 | C08 | N03 | 178.9° | 179.7° |
| C11 | C07 | N03 | N02 | 0.7° | 1.7° |
| C11 | C07 | C08 | N09 | 179.5° | 178.8° |
| C11 | C07 | N03 | C04 | 179.7° | 178.3° |
| C11 | C07 | C08 | H8 | 0.5° | 1.2° |
| C22 | C23 | N10 | H12 | 120.3° | 119.9° |
| C22 | C23 | N10 | H13 | 120.3° | 120.0° |
| C22 | C23 | N10 | C01 | 108.4° | 138.3° |
| C23 | C22 | H4 | H5 | 119.2° | 120.2° |
| C22 | C23 | N10 | H9 | 12.9° | 41.6° |
| C22 | C23 | H12 | H13 | 119.3° | 120.1° |
| C08 | C07 | N03 | N02 | 179.8° | 178.7° |
| C07 | C08 | N09 | H8 | 180.0° | 180.0° |
| C08 | C07 | N03 | C04 | 0.6° | 1.4° |
| C07 | C08 | N09 | C04 | 0.3° | 0.1° |
| C07 | N03 | N02 | C04 | 179.5° | 179.9° |
| C07 | N03 | N02 | C01 | 179.7° | 178.7° |
| N03 | C07 | C08 | N09 | 0.6° | 0.9° |
| C07 | N03 | C04 | N09 | 0.4° | 1.5° |
| C07 | N03 | C04 | C05 | 179.7° | 178.2° |
| N03 | C07 | C08 | H8 | 179.4° | 179.1° |
| C23 | N10 | C01 | N02 | 50.1° | 25.9° |
| C23 | N10 | C01 | H9 | 121.2° | 180.0° |
| C23 | N10 | C01 | C06 | 129.5° | 154.4° |
| N10 | C23 | C22 | H4 | 109.1° | 60.5° |
| N10 | C23 | C22 | H5 | 10.4° | 59.8° |
| N10 | C23 | H12 | H13 | 119.2° | 120.0° |
| N03 | N02 | C01 | N10 | 179.8° | 180.0° |
| N03 | N02 | C01 | C06 | 0.2° | 0.3° |
| N02 | N03 | C04 | N09 | 180.0° | 178.6° |
| N02 | N03 | C04 | C05 | 0.1° | 1.7° |
| C01 | N02 | N03 | C04 | 0.2° | 1.2° |
| N02 | C01 | N10 | C06 | 179.5° | 179.7° |
| N02 | C01 | C06 | C05 | 0.2° | 1.3° |
| N02 | C01 | C06 | H7 | 179.8° | 178.8° |
| N02 | C01 | N10 | H9 | 71.2° | 154.0° |
| C08 | N09 | C04 | N03 | 0.0° | 1.0° |
| C08 | N09 | C04 | C05 | 179.9° | 178.7° |
| N03 | C04 | N09 | C05 | 179.9° | 179.6° |
| N03 | C04 | C05 | C06 | 0.1° | 0.7° |
| N03 | C04 | C05 | H6 | 179.9° | 179.3° |
| N10 | C01 | C06 | C05 | 179.8° | 179.0° |
| N10 | C01 | C06 | H7 | 0.2° | 0.9° |
| C01 | N10 | C23 | H12 | 131.4° | 101.7° |
| C01 | N10 | C23 | H13 | 11.9° | 18.3° |
| C01 | C06 | C05 | C04 | 0.2° | 0.8° |
| C01 | C06 | C05 | H7 | 180.0° | 179.9° |
| C01 | C06 | C05 | H6 | 179.8° | 179.2° |
| C06 | C01 | N10 | H9 | 109.3° | 25.6° |
| N09 | C04 | C05 | C06 | 180.0° | 179.7° |
| N09 | C04 | C05 | H6 | 0.0° | 0.3° |
| C04 | N09 | C08 | H8 | 179.6° | 180.0° |
| C04 | C05 | C06 | H6 | 180.0° | 180.0° |
| C04 | C05 | C06 | H7 | 179.9° | 179.3° |
| H1 | C20 | H2 | H3 | 120.0° | 119.9° |
| H4 | C22 | C23 | H12 | 130.6° | 179.6° |
| H4 | C22 | C23 | H13 | 11.1° | 59.5° |
| H5 | C22 | C23 | H12 | 109.9° | 60.1° |
| H5 | C22 | C23 | H13 | 130.6° | 179.8° |
| H6 | C05 | C06 | H7 | 0.2° | 0.7° |
| H9 | N10 | C23 | H12 | 107.4° | 78.3° |
| H9 | N10 | C23 | H13 | 133.1° | 161.7° |
| H14 | N25 | C44 | H30 | 172.6° | 157.7° |
| H14 | N25 | C44 | H31 | 67.8° | 81.9° |
| H21 | C39 | H22 | H23 | 120.0° | 120.0° |
| H24 | C41 | C42 | H26 | 73.2° | 160.5° |
| H24 | C41 | C42 | H27 | 168.2° | 40.4° |
| H25 | C41 | C42 | H26 | 46.4° | 79.8° |
| H25 | C41 | C42 | H27 | 72.3° | 160.2° |
| H26 | C42 | C43 | H28 | 55.1° | 135.8° |
| H26 | C42 | C43 | H29 | 173.6° | 15.9° |
| H27 | C42 | C43 | H28 | 63.6° | 104.2° |
| H27 | C42 | C43 | H29 | 54.9° | 135.9° |
| H28 | C43 | C44 | H30 | 133.4° | 132.2° |
| H28 | C43 | C44 | H31 | 107.0° | 107.4° |
| H29 | C43 | C44 | H30 | 14.9° | 107.9° |
| H29 | C43 | C44 | H31 | 134.5° | 12.4° |
