A0X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.36Å | 1.44Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.44Å | Aromatic |
| C06 | C01 | sing | 1.41Å | 1.42Å | Aromatic |
| O33 | C10 | doub | 1.21Å | 1.22Å | |
| C04 | N09 | doub | 1.33Å | 1.37Å | Aromatic |
| C04 | N03 | sing | 1.37Å | 1.29Å | Aromatic |
| C01 | C10 | sing | 1.48Å | 1.51Å | |
| C01 | N02 | doub | 1.31Å | 1.31Å | Aromatic |
| C10 | N32 | sing | 1.36Å | 1.43Å | |
| N09 | C08 | sing | 1.33Å | 1.35Å | Aromatic |
| N03 | N02 | sing | 1.29Å | 1.34Å | Aromatic |
| N03 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| N32 | C44 | sing | 1.48Å | 1.42Å | |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C07 | C11 | sing | 1.43Å | 1.51Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| C11 | C34 | trip | 1.18Å | 1.19Å | |
| C42 | C41 | sing | 1.53Å | 1.51Å | |
| C41 | C40 | sing | 1.53Å | 1.50Å | |
| C34 | C39 | sing | 1.43Å | 1.51Å | |
| C40 | C36 | sing | 1.53Å | 1.51Å | |
| C39 | C37 | doub | 1.40Å | 1.39Å | Aromatic |
| C39 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C37 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C16 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | O15 | sing | 1.43Å | 1.41Å | |
| C12 | O15 | sing | 1.36Å | 1.41Å | |
| C12 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C38 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.48Å | 1.53Å | |
| O19 | C17 | doub | 1.22Å | 1.21Å | |
| C17 | N18 | sing | 1.35Å | 1.42Å | |
| N18 | C20 | sing | 1.40Å | 1.43Å | |
| C25 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| F46 | C45 | sing | 1.40Å | 1.34Å | |
| F48 | C45 | sing | 1.40Å | 1.34Å | |
| C45 | C24 | sing | 1.51Å | 1.52Å | |
| C45 | F47 | sing | 1.40Å | 1.34Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | N26 | sing | 1.40Å | 1.42Å | |
| N26 | C27 | sing | 1.37Å | 1.35Å | Aromatic |
| N26 | C30 | sing | 1.36Å | 1.32Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.41Å | Aromatic |
| C30 | N29 | doub | 1.31Å | 1.33Å | Aromatic |
| C28 | N29 | sing | 1.34Å | 1.35Å | Aromatic |
| C28 | C31 | sing | 1.51Å | 1.51Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| N18 | H8 | sing | 0.97Å | 1.00Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| N32 | H16 | sing | 0.97Å | 1.00Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.08Å | 1.08Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 118.3° | 118.0° |
| C05 | C06 | C01 | 116.3° | 118.5° |
| C06 | C05 | H2 | 120.9° | 121.0° |
| C05 | C06 | H3 | 121.8° | 120.8° |
| C05 | C04 | N09 | 132.0° | 131.9° |
| C05 | C04 | N03 | 119.5° | 119.4° |
| C04 | C05 | H2 | 120.9° | 121.0° |
| C06 | C01 | C10 | 123.4° | 119.4° |
| C06 | C01 | N02 | 120.0° | 120.6° |
| C01 | C06 | H3 | 121.8° | 120.7° |
| O33 | C10 | C01 | 121.3° | 120.4° |
| O33 | C10 | N32 | 122.5° | 120.4° |
| N09 | C04 | N03 | 108.5° | 108.7° |
| C04 | N09 | C08 | 109.3° | 109.7° |
| C04 | N03 | N02 | 122.3° | 121.1° |
| C04 | N03 | C07 | 109.8° | 106.7° |
| C10 | C01 | N02 | 116.6° | 120.0° |
| C01 | C10 | N32 | 116.2° | 119.3° |
| C01 | N02 | N03 | 123.5° | 122.4° |
| C10 | N32 | C44 | 126.1° | 116.3° |
| C10 | N32 | H16 | 116.9° | 121.9° |
| N09 | C08 | C07 | 105.6° | 108.2° |
| N09 | C08 | H4 | 127.2° | 125.9° |
| N02 | N03 | C07 | 127.9° | 132.1° |
| N03 | C07 | C08 | 106.8° | 106.7° |
| N03 | C07 | C11 | 121.5° | 127.0° |
| N32 | C44 | C43 | 106.9° | 108.7° |
| C44 | N32 | H16 | 116.9° | 121.8° |
| N32 | C44 | H31 | 110.1° | 109.6° |
| N32 | C44 | H32 | 110.1° | 109.6° |
| C08 | C07 | C11 | 131.8° | 126.3° |
| C07 | C08 | H4 | 127.2° | 125.9° |
| C44 | C43 | C42 | 115.2° | 109.4° |
| C44 | C43 | H29 | 108.0° | 109.5° |
| C44 | C43 | H30 | 108.1° | 109.5° |
| C43 | C44 | H31 | 110.1° | 109.6° |
| C43 | C44 | H32 | 110.1° | 109.6° |
| C07 | C11 | C34 | 178.7° | 167.0° |
| C43 | C42 | C41 | 113.0° | 109.4° |
| C43 | C42 | H27 | 108.6° | 109.6° |
| C43 | C42 | H28 | 108.6° | 109.6° |
| C42 | C43 | H29 | 108.0° | 109.5° |
| C42 | C43 | H30 | 108.0° | 109.5° |
| C11 | C34 | C39 | 179.2° | 165.6° |
| C42 | C41 | C40 | 113.3° | 109.3° |
| C42 | C41 | H25 | 108.5° | 109.6° |
| C42 | C41 | H26 | 108.5° | 109.5° |
| C41 | C42 | H27 | 108.6° | 109.4° |
| C41 | C42 | H28 | 108.6° | 109.5° |
| C41 | C40 | C36 | 112.1° | 109.5° |
| C41 | C40 | H23 | 108.8° | 109.5° |
| C41 | C40 | H24 | 108.8° | 109.5° |
| C40 | C41 | H25 | 108.5° | 109.5° |
| C40 | C41 | H26 | 108.5° | 109.5° |
| C34 | C39 | C37 | 121.2° | 119.8° |
| C34 | C39 | C14 | 117.4° | 120.4° |
| C40 | C36 | C35 | 111.5° | 109.5° |
| C40 | C36 | H19 | 109.0° | 109.5° |
| C40 | C36 | H20 | 109.0° | 109.5° |
| C36 | C40 | H23 | 108.8° | 109.5° |
| C36 | C40 | H24 | 108.8° | 109.5° |
| C37 | C39 | C14 | 121.4° | 119.9° |
| C39 | C37 | C12 | 119.7° | 120.1° |
| C39 | C37 | H21 | 120.1° | 120.0° |
| C39 | C14 | C16 | 119.0° | 120.1° |
| C39 | C14 | C13 | 119.0° | 119.8° |
| C37 | C12 | O15 | 120.8° | 119.7° |
| C37 | C12 | C38 | 119.2° | 120.1° |
| C12 | C37 | H21 | 120.1° | 119.9° |
| C36 | C35 | O15 | 109.7° | 109.6° |
| C36 | C35 | H17 | 109.4° | 109.5° |
| C36 | C35 | H18 | 109.4° | 109.5° |
| C35 | C36 | H19 | 109.0° | 109.4° |
| C35 | C36 | H20 | 109.0° | 109.4° |
| C16 | C14 | C13 | 122.0° | 120.1° |
| C14 | C16 | H5 | 109.5° | 109.5° |
| C14 | C16 | H6 | 109.5° | 109.5° |
| C14 | C16 | H7 | 109.5° | 109.5° |
| C14 | C13 | C38 | 119.6° | 119.9° |
| C14 | C13 | C17 | 122.0° | 120.1° |
| C35 | O15 | C12 | 116.3° | 116.8° |
| O15 | C35 | H17 | 109.4° | 109.4° |
| O15 | C35 | H18 | 109.4° | 109.4° |
| O15 | C12 | C38 | 120.0° | 120.2° |
| C12 | C38 | C13 | 121.1° | 120.2° |
| C12 | C38 | H22 | 119.5° | 119.9° |
| C38 | C13 | C17 | 118.3° | 120.1° |
| C13 | C38 | H22 | 119.4° | 119.9° |
| C13 | C17 | O19 | 116.5° | 120.0° |
| C13 | C17 | N18 | 124.1° | 120.0° |
| O19 | C17 | N18 | 119.4° | 120.0° |
| C17 | N18 | C20 | 120.0° | 120.0° |
| C17 | N18 | H8 | 120.0° | 120.0° |
| N18 | C20 | C25 | 123.1° | 120.1° |
| N18 | C20 | C21 | 117.7° | 120.0° |
| C20 | N18 | H8 | 120.0° | 120.0° |
| C20 | C25 | C24 | 120.7° | 120.1° |
| C25 | C20 | C21 | 119.2° | 119.9° |
| C20 | C25 | H10 | 119.7° | 120.0° |
| C25 | C24 | C45 | 119.9° | 119.9° |
| C25 | C24 | C23 | 119.8° | 120.1° |
| C24 | C25 | H10 | 119.7° | 120.0° |
| C20 | C21 | C22 | 120.6° | 119.9° |
| C20 | C21 | H1 | 119.7° | 120.1° |
| F46 | C45 | F48 | 109.0° | 109.5° |
| F46 | C45 | C24 | 110.9° | 109.4° |
| F46 | C45 | F47 | 108.4° | 109.4° |
| F48 | C45 | C24 | 109.4° | 109.5° |
| F48 | C45 | F47 | 110.1° | 109.5° |
| C24 | C45 | F47 | 109.0° | 109.5° |
| C45 | C24 | C23 | 120.3° | 119.9° |
| C24 | C23 | C22 | 119.8° | 120.1° |
| C24 | C23 | H9 | 120.1° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C21 | C22 | N26 | 119.5° | 120.0° |
| C22 | C21 | H1 | 119.7° | 120.1° |
| C23 | C22 | N26 | 120.5° | 120.0° |
| C22 | C23 | H9 | 120.1° | 120.0° |
| C22 | N26 | C27 | 126.2° | 126.5° |
| C22 | N26 | C30 | 125.1° | 126.4° |
| C27 | N26 | C30 | 108.7° | 107.1° |
| N26 | C27 | C28 | 106.2° | 106.8° |
| N26 | C27 | H11 | 126.9° | 126.6° |
| N26 | C30 | N29 | 110.0° | 108.6° |
| N26 | C30 | H12 | 125.0° | 125.8° |
| C27 | C28 | N29 | 106.9° | 108.2° |
| C27 | C28 | C31 | 127.0° | 125.9° |
| C28 | C27 | H11 | 126.9° | 126.6° |
| C30 | N29 | C28 | 108.3° | 109.3° |
| N29 | C30 | H12 | 125.0° | 125.7° |
| N29 | C28 | C31 | 126.1° | 125.9° |
| C28 | C31 | H13 | 109.5° | 109.5° |
| C28 | C31 | H14 | 109.4° | 109.5° |
| C28 | C31 | H15 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H7 | 109.4° | 109.5° |
| H6 | C16 | H7 | 109.4° | 109.5° |
| H13 | C31 | H14 | 109.5° | 109.5° |
| H13 | C31 | H15 | 109.4° | 109.4° |
| H14 | C31 | H15 | 109.5° | 109.4° |
| H17 | C35 | H18 | 109.5° | 109.5° |
| H19 | C36 | H20 | 109.5° | 109.5° |
| H23 | C40 | H24 | 109.5° | 109.4° |
| H25 | C41 | H26 | 109.5° | 109.5° |
| H27 | C42 | H28 | 109.5° | 109.4° |
| H29 | C43 | H30 | 109.4° | 109.5° |
| H31 | C44 | H32 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H2 | 180.0° | 179.9° |
| C05 | C06 | C01 | H3 | 180.0° | 179.9° |
| C06 | C05 | C04 | N09 | 179.9° | 179.7° |
| C06 | C05 | C04 | N03 | 0.0° | 0.5° |
| C05 | C06 | C01 | C10 | 179.6° | 179.5° |
| C05 | C06 | C01 | N02 | 0.8° | 0.4° |
| C04 | C05 | C06 | C01 | 0.3° | 0.0° |
| C05 | C04 | N09 | N03 | 179.9° | 179.8° |
| C05 | C04 | N09 | C08 | 179.8° | 179.5° |
| C05 | C04 | N03 | N02 | 0.0° | 0.7° |
| C05 | C04 | N03 | C07 | 179.6° | 179.4° |
| C04 | C05 | C06 | H3 | 179.7° | 180.0° |
| C06 | C01 | C10 | O33 | 10.7° | 1.2° |
| C06 | C01 | C10 | N02 | 178.9° | 179.9° |
| C06 | C01 | C10 | N32 | 169.5° | 179.0° |
| C06 | C01 | N02 | N03 | 0.9° | 0.2° |
| C01 | C06 | C05 | H2 | 179.7° | 179.9° |
| O33 | C10 | C01 | N32 | 179.8° | 179.7° |
| O33 | C10 | C01 | N02 | 170.5° | 178.9° |
| O33 | C10 | N32 | C44 | 0.7° | 0.7° |
| O33 | C10 | N32 | H16 | 179.3° | 179.3° |
| N09 | C04 | N03 | N02 | 179.9° | 179.4° |
| N09 | C04 | N03 | C07 | 0.3° | 0.5° |
| C04 | N09 | C08 | C07 | 0.7° | 0.0° |
| N09 | C04 | C05 | H2 | 0.1° | 0.2° |
| C04 | N09 | C08 | H4 | 179.2° | 179.9° |
| C04 | N03 | N02 | C01 | 0.5° | 0.3° |
| N03 | C04 | N09 | C08 | 0.3° | 0.3° |
| C04 | N03 | N02 | C07 | 179.5° | 179.9° |
| C04 | N03 | C07 | C08 | 0.8° | 0.4° |
| C04 | N03 | C07 | C11 | 179.7° | 179.5° |
| N03 | C04 | C05 | H2 | 180.0° | 179.5° |
| C10 | C01 | N02 | N03 | 179.8° | 179.7° |
| C01 | C10 | N32 | C44 | 179.4° | 179.5° |
| C10 | C01 | C06 | H3 | 0.4° | 0.5° |
| C01 | C10 | N32 | H16 | 0.6° | 0.5° |
| N02 | C01 | C10 | N32 | 9.4° | 0.9° |
| C01 | N02 | N03 | C07 | 180.0° | 179.8° |
| N02 | C01 | C06 | H3 | 179.2° | 179.6° |
| C10 | N32 | C44 | H16 | 180.0° | 180.0° |
| C10 | N32 | C44 | C43 | 129.3° | 155.1° |
| C10 | N32 | C44 | H31 | 9.6° | 85.2° |
| C10 | N32 | C44 | H32 | 111.1° | 35.3° |
| N09 | C08 | C07 | N03 | 0.9° | 0.3° |
| N09 | C08 | C07 | H4 | 180.0° | 180.0° |
| N09 | C08 | C07 | C11 | 179.7° | 179.7° |
| N02 | N03 | C07 | C08 | 179.7° | 179.5° |
| N02 | N03 | C07 | C11 | 0.8° | 0.6° |
| N03 | C07 | C08 | C11 | 178.8° | 179.9° |
| N03 | C07 | C11 | C34 | 26.0° | 168.4° |
| N03 | C07 | C08 | H4 | 179.1° | 179.8° |
| N32 | C44 | C43 | H31 | 119.6° | 119.8° |
| N32 | C44 | C43 | H32 | 119.6° | 119.8° |
| N32 | C44 | C43 | C42 | 134.9° | 63.1° |
| N32 | C44 | C43 | H29 | 14.1° | 56.9° |
| N32 | C44 | C43 | H30 | 104.2° | 177.0° |
| N32 | C44 | H31 | H32 | 121.2° | 120.4° |
| C08 | C07 | C11 | C34 | 152.7° | 11.6° |
| C44 | C43 | C42 | H29 | 120.8° | 120.0° |
| C44 | C43 | C42 | H30 | 120.9° | 120.0° |
| C44 | C43 | C42 | C41 | 170.4° | 169.1° |
| C43 | C44 | N32 | H16 | 50.7° | 24.9° |
| C44 | C43 | C42 | H27 | 69.1° | 70.9° |
| C44 | C43 | C42 | H28 | 49.8° | 49.1° |
| C44 | C43 | H29 | H30 | 117.4° | 120.0° |
| C43 | C44 | H31 | H32 | 121.1° | 120.4° |
| C07 | C11 | C34 | C39 | 49.7° | 169.9° |
| C11 | C07 | C08 | H4 | 0.3° | 0.3° |
| C43 | C42 | C41 | H27 | 120.5° | 120.0° |
| C43 | C42 | C41 | H28 | 120.5° | 120.0° |
| C43 | C42 | C41 | C40 | 151.1° | 169.5° |
| C43 | C42 | C41 | H25 | 30.5° | 70.6° |
| C43 | C42 | C41 | H26 | 88.4° | 49.6° |
| C43 | C42 | H27 | H28 | 118.4° | 120.2° |
| C42 | C43 | H29 | H30 | 117.4° | 120.0° |
| C42 | C43 | C44 | H31 | 105.4° | 56.7° |
| C42 | C43 | C44 | H32 | 15.3° | 177.2° |
| C11 | C34 | C39 | C37 | 122.7° | 1.8° |
| C11 | C34 | C39 | C14 | 55.8° | 178.2° |
| C42 | C41 | C40 | H25 | 120.6° | 120.1° |
| C42 | C41 | C40 | H26 | 120.5° | 119.9° |
| C42 | C41 | C40 | C36 | 111.3° | 125.5° |
| C42 | C41 | C40 | H23 | 128.4° | 114.5° |
| C42 | C41 | C40 | H24 | 9.1° | 5.4° |
| C42 | C41 | H25 | H26 | 118.3° | 120.2° |
| C41 | C42 | H27 | H28 | 118.4° | 120.0° |
| C41 | C42 | C43 | H29 | 49.5° | 49.1° |
| C41 | C42 | C43 | H30 | 68.7° | 70.9° |
| C41 | C40 | C36 | H23 | 120.4° | 120.0° |
| C41 | C40 | C36 | H24 | 120.4° | 120.0° |
| C41 | C40 | C36 | C35 | 113.2° | 121.1° |
| C41 | C40 | C36 | H19 | 7.1° | 1.1° |
| C41 | C40 | C36 | H20 | 126.4° | 118.9° |
| C41 | C40 | H23 | H24 | 118.8° | 119.9° |
| C40 | C41 | H25 | H26 | 118.2° | 120.0° |
| C40 | C41 | C42 | H27 | 88.4° | 49.5° |
| C40 | C41 | C42 | H28 | 30.5° | 70.5° |
| C34 | C39 | C37 | C14 | 178.4° | 180.0° |
| C34 | C39 | C37 | C12 | 179.3° | 179.9° |
| C34 | C39 | C14 | C16 | 1.3° | 0.0° |
| C34 | C39 | C14 | C13 | 179.3° | 180.0° |
| C34 | C39 | C37 | H21 | 0.7° | 0.0° |
| C40 | C36 | C35 | H19 | 120.3° | 120.0° |
| C40 | C36 | C35 | H20 | 120.3° | 120.1° |
| C40 | C36 | C35 | O15 | 172.7° | 178.9° |
| C40 | C36 | C35 | H17 | 67.3° | 61.1° |
| C40 | C36 | C35 | H18 | 52.7° | 58.9° |
| C40 | C36 | H19 | H20 | 119.1° | 120.1° |
| C36 | C40 | H23 | H24 | 118.8° | 120.0° |
| C36 | C40 | C41 | H25 | 9.3° | 5.4° |
| C36 | C40 | C41 | H26 | 128.2° | 114.6° |
| C39 | C37 | C12 | H21 | 180.0° | 180.0° |
| C37 | C39 | C14 | C16 | 179.8° | 180.0° |
| C37 | C39 | C14 | C13 | 2.2° | 0.0° |
| C39 | C37 | C12 | O15 | 179.2° | 179.9° |
| C39 | C37 | C12 | C38 | 0.0° | 0.0° |
| C14 | C39 | C37 | C12 | 0.9° | 0.1° |
| C39 | C14 | C16 | C13 | 177.9° | 180.0° |
| C39 | C14 | C13 | C38 | 2.6° | 0.0° |
| C39 | C14 | C13 | C17 | 178.5° | 180.0° |
| C39 | C14 | C16 | H5 | 89.0° | 96.8° |
| C39 | C14 | C16 | H6 | 151.0° | 23.2° |
| C39 | C14 | C16 | H7 | 31.0° | 143.2° |
| C14 | C39 | C37 | H21 | 179.1° | 180.0° |
| C37 | C12 | O15 | C35 | 71.1° | 31.2° |
| C37 | C12 | O15 | C38 | 179.1° | 179.9° |
| C37 | C12 | C38 | C13 | 0.4° | 0.0° |
| C37 | C12 | C38 | H22 | 179.6° | 179.9° |
| C36 | C35 | O15 | H17 | 120.0° | 120.0° |
| C36 | C35 | O15 | H18 | 120.0° | 120.0° |
| C36 | C35 | O15 | C12 | 130.7° | 132.0° |
| C36 | C35 | H17 | H18 | 119.9° | 120.0° |
| C35 | C36 | H19 | H20 | 119.1° | 119.9° |
| C35 | C36 | C40 | H23 | 126.4° | 118.9° |
| C35 | C36 | C40 | H24 | 7.2° | 1.0° |
| C16 | C14 | C13 | C38 | 179.5° | 180.0° |
| C16 | C14 | C13 | C17 | 3.6° | 0.0° |
| C14 | C16 | H5 | H6 | 120.1° | 120.0° |
| C14 | C16 | H5 | H7 | 120.0° | 120.0° |
| C14 | C16 | H6 | H7 | 120.0° | 120.0° |
| C14 | C13 | C38 | C12 | 1.7° | 0.0° |
| C14 | C13 | C38 | C17 | 176.1° | 180.0° |
| C14 | C13 | C17 | O19 | 53.7° | 6.2° |
| C14 | C13 | C17 | N18 | 129.6° | 173.8° |
| C13 | C14 | C16 | H5 | 88.9° | 83.2° |
| C13 | C14 | C16 | H6 | 31.1° | 156.8° |
| C13 | C14 | C16 | H7 | 151.1° | 36.8° |
| C14 | C13 | C38 | H22 | 178.3° | 180.0° |
| C35 | O15 | C12 | C38 | 109.8° | 148.8° |
| O15 | C35 | H17 | H18 | 119.9° | 119.9° |
| O15 | C35 | C36 | H19 | 52.4° | 58.9° |
| O15 | C35 | C36 | H20 | 67.0° | 61.0° |
| O15 | C12 | C38 | C13 | 178.8° | 179.9° |
| C12 | O15 | C35 | H17 | 109.2° | 108.0° |
| C12 | O15 | C35 | H18 | 10.7° | 11.9° |
| O15 | C12 | C37 | H21 | 0.8° | 0.1° |
| O15 | C12 | C38 | H22 | 1.2° | 0.1° |
| C12 | C38 | C13 | H22 | 180.0° | 179.9° |
| C12 | C38 | C13 | C17 | 177.8° | 180.0° |
| C38 | C12 | C37 | H21 | 179.9° | 180.0° |
| C38 | C13 | C17 | O19 | 122.3° | 173.8° |
| C38 | C13 | C17 | N18 | 54.4° | 6.2° |
| C13 | C17 | O19 | N18 | 176.9° | 180.0° |
| C13 | C17 | N18 | C20 | 176.9° | 174.7° |
| C13 | C17 | N18 | H8 | 3.1° | 5.3° |
| C17 | C13 | C38 | H22 | 2.2° | 0.0° |
| O19 | C17 | N18 | C20 | 0.2° | 5.3° |
| O19 | C17 | N18 | H8 | 179.8° | 174.7° |
| C17 | N18 | C20 | H8 | 180.0° | 180.0° |
| C17 | N18 | C20 | C25 | 45.8° | 34.8° |
| C17 | N18 | C20 | C21 | 132.3° | 145.5° |
| N18 | C20 | C25 | C21 | 178.1° | 179.7° |
| N18 | C20 | C25 | C24 | 178.7° | 179.7° |
| N18 | C20 | C21 | C22 | 178.8° | 180.0° |
| N18 | C20 | C21 | H1 | 1.2° | 0.0° |
| N18 | C20 | C25 | H10 | 1.3° | 0.3° |
| C20 | C25 | C24 | H10 | 180.0° | 179.4° |
| C20 | C25 | C24 | C45 | 179.8° | 179.7° |
| C20 | C25 | C24 | C23 | 0.1° | 0.6° |
| C25 | C20 | C21 | C22 | 0.6° | 0.3° |
| C25 | C20 | C21 | H1 | 179.4° | 179.7° |
| C25 | C20 | N18 | H8 | 134.2° | 145.2° |
| C24 | C25 | C20 | C21 | 0.6° | 0.6° |
| C25 | C24 | C45 | F46 | 40.5° | 149.7° |
| C25 | C24 | C45 | F48 | 79.7° | 29.7° |
| C25 | C24 | C45 | C23 | 179.7° | 179.7° |
| C25 | C24 | C45 | F47 | 159.8° | 90.3° |
| C25 | C24 | C23 | C22 | 0.8° | 0.3° |
| C25 | C24 | C23 | H9 | 179.2° | 180.0° |
| C20 | C21 | C22 | H1 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | N26 | 179.1° | 180.0° |
| C21 | C20 | N18 | H8 | 47.7° | 34.5° |
| C21 | C20 | C25 | H10 | 179.4° | 180.0° |
| F46 | C45 | F48 | C24 | 121.4° | 120.0° |
| F46 | C45 | F48 | F47 | 118.8° | 120.0° |
| F46 | C45 | C24 | F47 | 119.3° | 119.9° |
| F46 | C45 | C24 | C23 | 139.2° | 30.0° |
| F48 | C45 | C24 | F47 | 120.5° | 120.1° |
| F48 | C45 | C24 | C23 | 100.6° | 150.0° |
| C45 | C24 | C23 | C22 | 179.5° | 180.0° |
| C45 | C24 | C23 | H9 | 0.5° | 0.3° |
| C45 | C24 | C25 | H10 | 0.2° | 0.3° |
| F47 | C45 | C24 | C23 | 19.9° | 90.0° |
| C24 | C23 | C22 | C21 | 0.9° | 0.0° |
| C24 | C23 | C22 | H9 | 180.0° | 179.8° |
| C24 | C23 | C22 | N26 | 179.8° | 180.0° |
| C23 | C24 | C25 | H10 | 180.0° | 180.0° |
| C21 | C22 | C23 | N26 | 178.9° | 180.0° |
| C21 | C22 | N26 | C27 | 54.8° | 0.0° |
| C21 | C22 | N26 | C30 | 125.0° | 179.7° |
| C21 | C22 | C23 | H9 | 179.1° | 179.7° |
| C23 | C22 | N26 | C27 | 126.3° | 180.0° |
| C23 | C22 | N26 | C30 | 53.9° | 0.3° |
| C23 | C22 | C21 | H1 | 179.8° | 180.0° |
| C22 | N26 | C27 | C30 | 179.8° | 179.8° |
| C22 | N26 | C27 | C28 | 179.8° | 180.0° |
| C22 | N26 | C30 | N29 | 179.9° | 179.8° |
| N26 | C22 | C21 | H1 | 0.9° | 0.0° |
| N26 | C22 | C23 | H9 | 0.2° | 0.2° |
| C22 | N26 | C27 | H11 | 0.2° | 0.0° |
| C22 | N26 | C30 | H12 | 0.1° | 0.2° |
| N26 | C27 | C28 | H11 | 180.0° | 180.0° |
| C27 | N26 | C30 | N29 | 0.1° | 0.4° |
| N26 | C27 | C28 | N29 | 0.0° | 0.0° |
| N26 | C27 | C28 | C31 | 180.0° | 179.7° |
| C27 | N26 | C30 | H12 | 179.9° | 180.0° |
| C30 | N26 | C27 | C28 | 0.0° | 0.2° |
| N26 | C30 | N29 | H12 | 180.0° | 179.6° |
| N26 | C30 | N29 | C28 | 0.1° | 0.4° |
| C30 | N26 | C27 | H11 | 180.0° | 179.7° |
| C27 | C28 | N29 | C30 | 0.1° | 0.2° |
| C27 | C28 | N29 | C31 | 180.0° | 179.8° |
| C27 | C28 | C31 | H13 | 180.0° | 89.7° |
| C27 | C28 | C31 | H14 | 60.0° | 30.3° |
| C27 | C28 | C31 | H15 | 60.0° | 150.3° |
| C30 | N29 | C28 | C31 | 179.9° | 180.0° |
| N29 | C28 | C27 | H11 | 180.0° | 180.0° |
| C28 | N29 | C30 | H12 | 179.9° | 180.0° |
| N29 | C28 | C31 | H13 | 0.0° | 90.0° |
| N29 | C28 | C31 | H14 | 120.0° | 150.0° |
| N29 | C28 | C31 | H15 | 120.0° | 30.0° |
| C31 | C28 | C27 | H11 | 0.0° | 0.3° |
| C28 | C31 | H13 | H14 | 120.0° | 120.1° |
| C28 | C31 | H13 | H15 | 120.0° | 120.0° |
| C28 | C31 | H14 | H15 | 120.0° | 120.0° |
| H2 | C05 | C06 | H3 | 0.3° | 0.1° |
| H5 | C16 | H6 | H7 | 119.9° | 120.0° |
| H13 | C31 | H14 | H15 | 120.0° | 119.9° |
| H16 | N32 | C44 | H31 | 170.4° | 94.8° |
| H16 | N32 | C44 | H32 | 68.9° | 144.7° |
| H17 | C35 | C36 | H19 | 172.5° | 178.9° |
| H17 | C35 | C36 | H20 | 53.1° | 59.0° |
| H18 | C35 | C36 | H19 | 67.6° | 61.1° |
| H18 | C35 | C36 | H20 | 173.0° | 179.0° |
| H19 | C36 | C40 | H23 | 113.3° | 121.2° |
| H19 | C36 | C40 | H24 | 127.5° | 118.9° |
| H20 | C36 | C40 | H23 | 6.0° | 1.2° |
| H20 | C36 | C40 | H24 | 113.2° | 121.1° |
| H23 | C40 | C41 | H25 | 111.1° | 125.4° |
| H23 | C40 | C41 | H26 | 7.8° | 5.4° |
| H24 | C40 | C41 | H25 | 129.7° | 114.7° |
| H24 | C40 | C41 | H26 | 111.4° | 125.3° |
| H25 | C41 | C42 | H27 | 151.1° | 169.4° |
| H25 | C41 | C42 | H28 | 90.0° | 49.5° |
| H26 | C41 | C42 | H27 | 32.2° | 70.4° |
| H26 | C41 | C42 | H28 | 151.1° | 169.6° |
| H27 | C42 | C43 | H29 | 170.1° | 169.0° |
| H27 | C42 | C43 | H30 | 51.8° | 49.0° |
| H28 | C42 | C43 | H29 | 71.0° | 70.9° |
| H28 | C42 | C43 | H30 | 170.7° | 169.1° |
| H29 | C43 | C44 | H31 | 133.7° | 176.7° |
| H29 | C43 | C44 | H32 | 105.5° | 62.8° |
| H30 | C43 | C44 | H31 | 15.4° | 63.3° |
| H30 | C43 | C44 | H32 | 136.2° | 57.2° |
