JRN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C12 | sing | 1.51Å | 1.50Å | |
| C15 | C13 | sing | 1.51Å | 1.53Å | |
| C23 | C20 | sing | 1.54Å | 1.54Å | |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.35Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.40Å | Aromatic |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C11 | sing | 1.50Å | 1.56Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C11 | C08 | doub | 1.42Å | 1.40Å | Aromatic |
| C14 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C19 | sing | 1.52Å | 1.48Å | |
| C08 | C09 | sing | 1.47Å | 1.38Å | Aromatic |
| C08 | N07 | sing | 1.34Å | 1.41Å | Aromatic |
| C09 | N10 | sing | 1.34Å | 1.44Å | Aromatic |
| N07 | C19 | sing | 1.46Å | 1.48Å | |
| N07 | C04 | doub | 1.32Å | 1.40Å | Aromatic |
| C19 | C36 | sing | 1.54Å | 1.57Å | |
| O33 | C25 | sing | 1.43Å | 1.42Å | |
| N10 | C18 | sing | 1.47Å | 1.46Å | |
| N10 | C05 | doub | 1.32Å | 1.37Å | Aromatic |
| C36 | C37 | sing | 1.53Å | 1.42Å | |
| C04 | C05 | sing | 1.42Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.39Å | |
| C18 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C05 | N06 | sing | 1.38Å | 1.33Å | |
| O24 | C03 | doub | 1.21Å | 1.26Å | |
| F44 | C42 | sing | 1.35Å | 1.29Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | O34 | sing | 1.43Å | 1.43Å | |
| C03 | N02 | sing | 1.35Å | 1.38Å | |
| C27 | O35 | sing | 1.43Å | 1.44Å | |
| C27 | C43 | sing | 1.53Å | 1.50Å | |
| C37 | C38 | sing | 1.51Å | 1.37Å | |
| N06 | C01 | sing | 1.35Å | 1.34Å | |
| O28 | C43 | sing | 1.43Å | 1.45Å | |
| O28 | P29 | sing | 1.61Å | 1.61Å | |
| C42 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.37Å | Aromatic |
| N02 | C01 | sing | 1.34Å | 1.35Å | |
| C38 | C39 | sing | 1.38Å | 1.47Å | Aromatic |
| F45 | C41 | sing | 1.35Å | 1.33Å | |
| C01 | O17 | doub | 1.22Å | 1.29Å | |
| O31 | P29 | doub | 1.48Å | 1.51Å | |
| C41 | C46 | doub | 1.39Å | 1.28Å | Aromatic |
| P29 | O30 | sing | 1.61Å | 1.52Å | |
| P29 | O32 | sing | 1.61Å | 1.48Å | |
| C39 | F49 | sing | 1.35Å | 1.31Å | |
| C39 | C40 | doub | 1.39Å | 1.33Å | Aromatic |
| C46 | C40 | sing | 1.39Å | 1.47Å | Aromatic |
| C46 | F47 | sing | 1.35Å | 1.32Å | |
| C40 | F48 | sing | 1.35Å | 1.36Å | |
| C37 | H1 | sing | 1.09Å | 1.10Å | |
| C37 | H2 | sing | 1.09Å | 1.10Å | |
| C36 | H3 | sing | 1.09Å | 1.10Å | |
| C36 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| N02 | H6 | sing | 0.97Å | 1.00Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| N06 | H22 | sing | 0.97Å | 1.00Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| O33 | H26 | sing | 0.97Å | 0.95Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| O34 | H28 | sing | 0.97Å | 0.95Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| O35 | H30 | sing | 0.97Å | 0.95Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| O30 | H33 | sing | 0.97Å | 0.95Å | |
| O32 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C12 | C13 | 117.3° | 114.6° |
| C16 | C12 | C11 | 125.2° | 123.5° |
| C12 | C16 | H15 | 109.5° | 109.5° |
| C12 | C16 | H16 | 109.5° | 109.5° |
| C12 | C16 | H17 | 109.4° | 109.5° |
| C15 | C13 | C12 | 121.0° | 118.8° |
| C15 | C13 | C14 | 117.6° | 119.4° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H19 | 109.5° | 109.4° |
| C13 | C15 | H20 | 109.5° | 109.4° |
| C23 | C20 | C22 | 105.9° | 109.5° |
| C23 | C20 | C11 | 117.1° | 112.0° |
| C23 | C20 | C21 | 108.6° | 105.6° |
| C20 | C23 | H12 | 109.5° | 109.5° |
| C20 | C23 | H13 | 109.5° | 109.4° |
| C20 | C23 | H14 | 109.5° | 109.5° |
| C13 | C12 | C11 | 117.5° | 121.8° |
| C12 | C13 | C14 | 121.4° | 121.8° |
| C12 | C11 | C20 | 126.7° | 123.8° |
| C12 | C11 | C08 | 121.0° | 117.9° |
| C13 | C14 | C09 | 119.5° | 118.8° |
| C13 | C14 | H21 | 120.2° | 118.7° |
| C22 | C20 | C11 | 107.2° | 110.8° |
| C22 | C20 | C21 | 111.2° | 109.5° |
| C20 | C22 | H9 | 109.5° | 109.5° |
| C20 | C22 | H10 | 109.5° | 109.5° |
| C20 | C22 | H11 | 109.4° | 109.4° |
| C11 | C20 | C21 | 106.8° | 109.3° |
| C20 | C11 | C08 | 112.2° | 118.2° |
| C20 | C21 | C19 | 117.3° | 111.3° |
| C20 | C21 | H7 | 107.5° | 109.1° |
| C20 | C21 | H8 | 107.5° | 109.0° |
| C11 | C08 | C09 | 120.5° | 118.8° |
| C11 | C08 | N07 | 120.2° | 122.9° |
| C14 | C09 | C08 | 119.9° | 118.9° |
| C14 | C09 | N10 | 120.9° | 121.0° |
| C09 | C14 | H21 | 120.2° | 122.5° |
| C21 | C19 | N07 | 110.1° | 111.2° |
| C21 | C19 | C36 | 117.8° | 106.6° |
| C21 | C19 | H5 | 110.3° | 110.5° |
| C19 | C21 | H7 | 107.5° | 109.4° |
| C19 | C21 | H8 | 107.5° | 109.5° |
| C09 | C08 | N07 | 119.4° | 118.3° |
| C08 | C09 | N10 | 119.2° | 120.0° |
| C08 | N07 | C19 | 116.6° | 121.8° |
| C08 | N07 | C04 | 118.0° | 117.9° |
| C09 | N10 | C18 | 122.0° | 120.3° |
| C09 | N10 | C05 | 119.5° | 119.3° |
| C19 | N07 | C04 | 117.9° | 120.1° |
| N07 | C19 | C36 | 98.4° | 109.0° |
| N07 | C19 | H5 | 110.4° | 110.5° |
| N07 | C04 | C05 | 120.5° | 121.5° |
| N07 | C04 | C03 | 121.7° | 121.9° |
| C19 | C36 | C37 | 118.1° | 109.4° |
| C19 | C36 | H3 | 107.3° | 109.5° |
| C19 | C36 | H4 | 107.2° | 109.5° |
| C36 | C19 | H5 | 109.1° | 108.9° |
| O33 | C25 | C18 | 110.2° | 109.5° |
| O33 | C25 | C26 | 110.9° | 109.5° |
| O33 | C25 | H25 | 109.1° | 109.5° |
| C25 | O33 | H26 | 109.5° | 114.0° |
| C18 | N10 | C05 | 118.5° | 120.5° |
| N10 | C18 | C25 | 115.4° | 109.5° |
| N10 | C18 | H23 | 108.0° | 109.5° |
| N10 | C18 | H24 | 108.0° | 109.5° |
| N10 | C05 | C04 | 118.7° | 119.7° |
| N10 | C05 | N06 | 116.9° | 122.2° |
| C36 | C37 | C38 | 129.9° | 109.4° |
| C36 | C37 | H1 | 104.2° | 109.5° |
| C36 | C37 | H2 | 104.2° | 109.5° |
| C37 | C36 | H3 | 107.3° | 109.4° |
| C37 | C36 | H4 | 107.3° | 109.5° |
| C05 | C04 | C03 | 117.7° | 116.4° |
| C04 | C05 | N06 | 124.4° | 118.2° |
| C04 | C03 | O24 | 127.0° | 121.9° |
| C04 | C03 | N02 | 116.3° | 118.3° |
| C18 | C25 | C26 | 110.8° | 109.5° |
| C25 | C18 | H23 | 108.0° | 109.5° |
| C25 | C18 | H24 | 108.0° | 109.4° |
| C18 | C25 | H25 | 107.7° | 109.5° |
| C25 | C26 | C27 | 113.5° | 109.5° |
| C25 | C26 | O34 | 108.1° | 109.5° |
| C26 | C25 | H25 | 108.0° | 109.4° |
| C25 | C26 | H27 | 108.3° | 109.5° |
| C05 | N06 | C01 | 117.3° | 120.9° |
| C05 | N06 | H22 | 121.3° | 122.0° |
| O24 | C03 | N02 | 116.6° | 119.8° |
| F44 | C42 | C38 | 119.5° | 120.0° |
| F44 | C42 | C41 | 113.9° | 120.0° |
| C27 | C26 | O34 | 109.7° | 109.5° |
| C26 | C27 | O35 | 108.6° | 109.5° |
| C26 | C27 | C43 | 112.9° | 109.5° |
| C27 | C26 | H27 | 107.9° | 109.4° |
| C26 | C27 | H29 | 108.4° | 109.4° |
| O34 | C26 | H27 | 109.3° | 109.5° |
| C26 | O34 | H28 | 109.5° | 114.0° |
| C03 | N02 | C01 | 122.7° | 120.9° |
| C03 | N02 | H6 | 118.7° | 119.5° |
| O35 | C27 | C43 | 108.0° | 109.5° |
| O35 | C27 | H29 | 109.8° | 109.5° |
| C27 | O35 | H30 | 109.5° | 114.0° |
| C27 | C43 | O28 | 109.7° | 109.5° |
| C43 | C27 | H29 | 109.0° | 109.5° |
| C27 | C43 | H31 | 109.4° | 109.5° |
| C27 | C43 | H32 | 109.4° | 109.4° |
| C37 | C38 | C42 | 125.6° | 120.0° |
| C37 | C38 | C39 | 121.8° | 119.9° |
| C38 | C37 | H1 | 104.2° | 109.5° |
| C38 | C37 | H2 | 104.2° | 109.5° |
| N06 | C01 | N02 | 121.4° | 122.7° |
| N06 | C01 | O17 | 120.6° | 118.4° |
| C01 | N06 | H22 | 121.4° | 117.0° |
| C43 | O28 | P29 | 119.0° | 123.0° |
| O28 | C43 | H31 | 109.4° | 109.5° |
| O28 | C43 | H32 | 109.4° | 109.5° |
| O28 | P29 | O31 | 101.5° | 109.4° |
| O28 | P29 | O30 | 106.1° | 109.5° |
| O28 | P29 | O32 | 108.4° | 109.5° |
| C38 | C42 | C41 | 126.6° | 120.0° |
| C42 | C38 | C39 | 110.2° | 120.1° |
| C42 | C41 | F45 | 120.7° | 120.0° |
| C42 | C41 | C46 | 124.0° | 120.0° |
| N02 | C01 | O17 | 117.9° | 118.9° |
| C01 | N02 | H6 | 118.7° | 119.7° |
| C38 | C39 | F49 | 117.4° | 120.0° |
| C38 | C39 | C40 | 122.0° | 120.0° |
| F45 | C41 | C46 | 115.4° | 120.0° |
| O31 | P29 | O30 | 111.0° | 109.5° |
| O31 | P29 | O32 | 116.5° | 109.5° |
| C41 | C46 | C40 | 113.9° | 119.9° |
| C41 | C46 | F47 | 129.0° | 120.0° |
| O30 | P29 | O32 | 112.2° | 109.5° |
| P29 | O30 | H33 | 109.5° | 114.0° |
| P29 | O32 | H34 | 109.5° | 114.1° |
| F49 | C39 | C40 | 120.7° | 120.0° |
| C39 | C40 | C46 | 123.1° | 120.0° |
| C39 | C40 | F48 | 117.7° | 120.0° |
| C40 | C46 | F47 | 116.9° | 120.0° |
| C46 | C40 | F48 | 118.8° | 120.0° |
| H1 | C37 | H2 | 109.4° | 109.5° |
| H3 | C36 | H4 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 108.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.4° | 109.5° |
| H12 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.4° |
| H15 | C16 | H17 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H20 | 109.4° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H31 | C43 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C12 | C13 | C15 | 5.6° | 12.6° |
| C16 | C12 | C13 | C11 | 177.8° | 175.4° |
| C16 | C12 | C13 | C14 | 175.3° | 167.5° |
| C16 | C12 | C11 | C20 | 2.6° | 16.5° |
| C16 | C12 | C11 | C08 | 177.5° | 159.6° |
| C12 | C16 | H15 | H16 | 120.0° | 120.0° |
| C12 | C16 | H15 | H17 | 120.0° | 120.0° |
| C12 | C16 | H16 | H17 | 120.0° | 120.1° |
| C15 | C13 | C12 | C14 | 179.1° | 179.9° |
| C15 | C13 | C12 | C11 | 176.7° | 172.0° |
| C15 | C13 | C14 | C09 | 173.9° | 175.1° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H20 | 120.0° | 120.0° |
| C13 | C15 | H19 | H20 | 120.0° | 119.9° |
| C15 | C13 | C14 | H21 | 6.0° | 5.6° |
| C23 | C20 | C11 | C12 | 11.4° | 41.6° |
| C23 | C20 | C22 | C11 | 125.8° | 124.0° |
| C23 | C20 | C22 | C21 | 117.8° | 115.4° |
| C23 | C20 | C11 | C21 | 121.9° | 116.7° |
| C23 | C20 | C11 | C08 | 168.5° | 142.4° |
| C23 | C20 | C21 | C19 | 178.8° | 175.3° |
| C23 | C20 | C21 | H7 | 57.6° | 54.5° |
| C23 | C20 | C21 | H8 | 60.1° | 63.9° |
| C23 | C20 | C22 | H9 | 180.0° | 64.1° |
| C23 | C20 | C22 | H10 | 60.0° | 56.0° |
| C23 | C20 | C22 | H11 | 60.0° | 176.0° |
| C20 | C23 | H12 | H13 | 120.0° | 120.0° |
| C20 | C23 | H12 | H14 | 120.0° | 120.0° |
| C20 | C23 | H13 | H14 | 120.0° | 120.0° |
| C13 | C12 | C11 | C20 | 179.8° | 168.5° |
| C13 | C12 | C11 | C08 | 0.1° | 15.4° |
| C12 | C13 | C14 | C09 | 5.2° | 5.0° |
| C13 | C12 | C16 | H15 | 91.0° | 90.0° |
| C13 | C12 | C16 | H16 | 149.0° | 150.1° |
| C13 | C12 | C16 | H17 | 29.0° | 30.0° |
| C12 | C13 | C15 | H18 | 90.4° | 90.0° |
| C12 | C13 | C15 | H19 | 149.5° | 150.0° |
| C12 | C13 | C15 | H20 | 29.6° | 30.0° |
| C12 | C13 | C14 | H21 | 174.8° | 174.3° |
| C11 | C12 | C13 | C14 | 2.5° | 7.9° |
| C12 | C11 | C20 | C22 | 107.4° | 81.1° |
| C12 | C11 | C20 | C08 | 179.8° | 176.1° |
| C12 | C11 | C20 | C21 | 133.3° | 158.3° |
| C12 | C11 | C08 | C09 | 0.4° | 10.5° |
| C12 | C11 | C08 | N07 | 179.7° | 167.4° |
| C11 | C12 | C16 | H15 | 91.4° | 94.7° |
| C11 | C12 | C16 | H16 | 28.6° | 25.3° |
| C11 | C12 | C16 | H17 | 148.6° | 145.4° |
| C13 | C14 | C09 | H21 | 180.0° | 179.3° |
| C13 | C14 | C09 | C08 | 5.5° | 9.3° |
| C13 | C14 | C09 | N10 | 174.2° | 167.8° |
| C14 | C13 | C15 | H18 | 90.4° | 90.1° |
| C14 | C13 | C15 | H19 | 29.6° | 29.9° |
| C14 | C13 | C15 | H20 | 149.6° | 149.9° |
| C22 | C20 | C11 | C21 | 119.3° | 120.7° |
| C22 | C20 | C11 | C08 | 72.7° | 95.0° |
| C22 | C20 | C21 | C19 | 62.6° | 66.8° |
| C22 | C20 | C21 | H7 | 58.5° | 172.3° |
| C22 | C20 | C21 | H8 | 176.3° | 54.0° |
| C20 | C22 | H9 | H10 | 120.0° | 120.1° |
| C20 | C22 | H9 | H11 | 120.0° | 119.9° |
| C20 | C22 | H10 | H11 | 120.0° | 120.0° |
| C22 | C20 | C23 | H12 | 180.0° | 60.0° |
| C22 | C20 | C23 | H13 | 60.0° | 180.0° |
| C22 | C20 | C23 | H14 | 60.0° | 60.0° |
| C11 | C20 | C21 | C19 | 54.1° | 54.6° |
| C20 | C11 | C08 | C09 | 179.4° | 173.2° |
| C20 | C11 | C08 | N07 | 0.1° | 8.9° |
| C11 | C20 | C21 | H7 | 175.3° | 66.2° |
| C11 | C20 | C21 | H8 | 67.0° | 175.5° |
| C11 | C20 | C22 | H9 | 54.2° | 59.9° |
| C11 | C20 | C22 | H10 | 65.8° | 180.0° |
| C11 | C20 | C22 | H11 | 174.2° | 60.0° |
| C11 | C20 | C23 | H12 | 60.5° | 63.3° |
| C11 | C20 | C23 | H13 | 179.5° | 56.7° |
| C11 | C20 | C23 | H14 | 59.5° | 176.7° |
| C21 | C20 | C11 | C08 | 46.6° | 25.7° |
| C20 | C21 | C19 | H7 | 121.1° | 120.6° |
| C20 | C21 | C19 | H8 | 121.1° | 120.6° |
| C20 | C21 | C19 | N07 | 13.2° | 50.8° |
| C20 | C21 | C19 | C36 | 124.9° | 169.5° |
| C20 | C21 | C19 | H5 | 108.9° | 72.3° |
| C20 | C21 | H7 | H8 | 116.4° | 118.6° |
| C21 | C20 | C22 | H9 | 62.2° | 179.5° |
| C21 | C20 | C22 | H10 | 177.8° | 59.4° |
| C21 | C20 | C22 | H11 | 57.8° | 60.6° |
| C21 | C20 | C23 | H12 | 60.4° | 177.8° |
| C21 | C20 | C23 | H13 | 59.5° | 62.2° |
| C21 | C20 | C23 | H14 | 179.5° | 57.8° |
| C11 | C08 | C09 | C14 | 3.2° | 1.7° |
| C11 | C08 | C09 | N07 | 179.3° | 178.0° |
| C11 | C08 | C09 | N10 | 176.5° | 175.4° |
| C11 | C08 | N07 | C19 | 46.2° | 14.2° |
| C11 | C08 | N07 | C04 | 164.6° | 161.1° |
| C14 | C09 | C08 | N10 | 179.7° | 177.1° |
| C14 | C09 | C08 | N07 | 177.6° | 179.7° |
| C14 | C09 | N10 | C18 | 20.7° | 9.2° |
| C14 | C09 | N10 | C05 | 162.6° | 169.9° |
| C21 | C19 | N07 | C08 | 37.5° | 16.5° |
| C21 | C19 | N07 | C36 | 123.8° | 117.2° |
| C21 | C19 | N07 | H5 | 122.1° | 123.1° |
| C21 | C19 | N07 | C04 | 173.3° | 168.3° |
| C21 | C19 | C36 | H5 | 126.8° | 119.2° |
| C21 | C19 | C36 | C37 | 161.6° | 65.6° |
| C21 | C19 | C36 | H3 | 40.3° | 174.5° |
| C21 | C19 | C36 | H4 | 77.2° | 54.5° |
| C19 | C21 | H7 | H8 | 116.4° | 119.4° |
| C09 | C08 | N07 | C19 | 133.1° | 167.9° |
| C09 | C08 | N07 | C04 | 16.1° | 16.9° |
| C08 | C09 | N10 | C18 | 159.0° | 173.7° |
| C08 | C09 | N10 | C05 | 17.7° | 7.2° |
| C08 | C09 | C14 | H21 | 174.5° | 170.0° |
| N07 | C08 | C09 | N10 | 2.8° | 2.6° |
| C08 | N07 | C19 | C04 | 149.2° | 175.2° |
| C08 | N07 | C19 | C36 | 86.3° | 133.8° |
| C08 | N07 | C04 | C05 | 21.1° | 22.0° |
| C08 | N07 | C04 | C03 | 161.8° | 152.9° |
| C08 | N07 | C19 | H5 | 159.6° | 106.5° |
| C09 | N10 | C18 | C05 | 176.7° | 179.1° |
| C09 | N10 | C05 | C04 | 13.0° | 2.8° |
| C09 | N10 | C18 | C25 | 105.5° | 89.9° |
| C09 | N10 | C05 | N06 | 167.9° | 177.5° |
| N10 | C09 | C14 | H21 | 5.8° | 12.9° |
| C09 | N10 | C18 | H23 | 133.6° | 150.0° |
| C09 | N10 | C18 | H24 | 15.3° | 30.0° |
| N07 | C19 | C36 | H5 | 115.1° | 120.7° |
| N07 | C19 | C36 | C37 | 80.3° | 174.3° |
| C19 | N07 | C04 | C05 | 127.7° | 162.7° |
| C19 | N07 | C04 | C03 | 49.4° | 22.5° |
| N07 | C19 | C36 | H3 | 158.5° | 54.4° |
| N07 | C19 | C36 | H4 | 40.9° | 65.6° |
| N07 | C19 | C21 | H7 | 134.3° | 69.8° |
| N07 | C19 | C21 | H8 | 108.0° | 171.3° |
| C04 | N07 | C19 | C36 | 62.9° | 51.1° |
| N07 | C04 | C05 | N10 | 6.4° | 12.2° |
| N07 | C04 | C05 | C03 | 177.2° | 175.1° |
| N07 | C04 | C05 | N06 | 172.7° | 167.4° |
| N07 | C04 | C03 | O24 | 8.2° | 16.1° |
| N07 | C04 | C03 | N02 | 176.8° | 166.4° |
| C04 | N07 | C19 | H5 | 51.2° | 68.6° |
| C19 | C36 | C37 | H3 | 121.2° | 120.0° |
| C19 | C36 | C37 | H4 | 121.2° | 120.1° |
| C19 | C36 | C37 | C38 | 142.3° | 174.8° |
| C19 | C36 | C37 | H1 | 19.6° | 65.3° |
| C19 | C36 | C37 | H2 | 95.1° | 54.8° |
| C19 | C36 | H3 | H4 | 116.0° | 120.1° |
| C36 | C19 | C21 | H7 | 114.0° | 48.9° |
| C36 | C19 | C21 | H8 | 3.7° | 70.0° |
| O33 | C25 | C18 | N10 | 55.6° | 64.9° |
| O33 | C25 | C18 | C26 | 123.2° | 120.1° |
| O33 | C25 | C18 | H25 | 118.9° | 120.0° |
| O33 | C25 | C26 | H25 | 119.5° | 120.0° |
| O33 | C25 | C26 | C27 | 52.0° | 59.9° |
| O33 | C25 | C26 | O34 | 174.0° | 180.0° |
| O33 | C25 | C18 | H23 | 176.4° | 175.0° |
| O33 | C25 | C18 | H24 | 65.3° | 55.0° |
| O33 | C25 | C26 | H27 | 67.7° | 60.0° |
| C18 | N10 | C05 | C04 | 163.8° | 178.1° |
| N10 | C18 | C25 | H23 | 120.9° | 120.1° |
| N10 | C18 | C25 | H24 | 120.9° | 120.0° |
| N10 | C18 | C25 | C26 | 178.8° | 175.0° |
| C18 | N10 | C05 | N06 | 15.3° | 1.6° |
| N10 | C18 | H23 | H24 | 117.3° | 120.0° |
| N10 | C18 | C25 | H25 | 63.3° | 55.0° |
| N10 | C05 | C04 | N06 | 179.1° | 179.7° |
| N10 | C05 | C04 | C03 | 176.4° | 162.9° |
| C05 | N10 | C18 | C25 | 77.8° | 89.1° |
| N10 | C05 | N06 | C01 | 176.6° | 174.0° |
| N10 | C05 | N06 | H22 | 3.4° | 6.5° |
| C05 | N10 | C18 | H23 | 43.1° | 30.9° |
| C05 | N10 | C18 | H24 | 161.4° | 150.9° |
| C36 | C37 | C38 | H1 | 122.7° | 120.0° |
| C36 | C37 | C38 | H2 | 122.7° | 120.0° |
| C36 | C37 | C38 | C42 | 1.6° | 90.0° |
| C36 | C37 | C38 | C39 | 159.5° | 90.5° |
| C36 | C37 | H1 | H2 | 110.9° | 120.0° |
| C37 | C36 | H3 | H4 | 116.1° | 120.0° |
| C37 | C36 | C19 | H5 | 34.8° | 53.7° |
| C05 | C04 | C03 | O24 | 174.7° | 159.0° |
| C05 | C04 | C03 | N02 | 0.3° | 18.4° |
| C04 | C05 | N06 | C01 | 4.3° | 6.4° |
| C04 | C05 | N06 | H22 | 175.7° | 173.2° |
| C03 | C04 | C05 | N06 | 4.5° | 17.4° |
| C04 | C03 | O24 | N02 | 175.0° | 177.4° |
| C04 | C03 | N02 | C01 | 3.8° | 7.9° |
| C04 | C03 | N02 | H6 | 176.2° | 172.0° |
| C18 | C25 | C26 | H25 | 117.7° | 120.0° |
| C18 | C25 | C26 | C27 | 174.8° | 180.0° |
| C18 | C25 | C26 | O34 | 63.2° | 59.9° |
| C25 | C18 | H23 | H24 | 117.3° | 119.9° |
| C18 | C25 | O33 | H26 | 180.0° | 60.1° |
| C18 | C25 | C26 | H27 | 55.1° | 60.1° |
| C25 | C26 | C27 | O34 | 121.1° | 120.1° |
| C25 | C26 | C27 | H27 | 120.0° | 120.0° |
| C25 | C26 | O34 | H27 | 117.7° | 120.0° |
| C25 | C26 | C27 | O35 | 170.6° | 59.9° |
| C25 | C26 | C27 | C43 | 50.8° | 180.0° |
| C26 | C25 | C18 | H23 | 60.4° | 54.9° |
| C26 | C25 | C18 | H24 | 57.9° | 65.0° |
| C26 | C25 | O33 | H26 | 56.9° | 60.0° |
| C25 | C26 | O34 | H28 | 180.0° | 60.0° |
| C25 | C26 | C27 | H29 | 70.1° | 60.0° |
| C05 | N06 | C01 | H22 | 180.0° | 179.6° |
| C05 | N06 | C01 | N02 | 0.1° | 5.1° |
| C05 | N06 | C01 | O17 | 175.1° | 174.7° |
| O24 | C03 | N02 | C01 | 179.3° | 169.6° |
| O24 | C03 | N02 | H6 | 0.7° | 10.5° |
| F44 | C42 | C38 | C37 | 18.1° | 0.5° |
| F44 | C42 | C38 | C41 | 178.2° | 179.5° |
| F44 | C42 | C38 | C39 | 178.9° | 180.0° |
| F44 | C42 | C41 | F45 | 1.0° | 0.3° |
| F44 | C42 | C41 | C46 | 179.9° | 179.7° |
| C27 | C26 | O34 | H27 | 118.0° | 120.0° |
| C26 | C27 | O35 | C43 | 122.8° | 120.0° |
| C26 | C27 | O35 | H29 | 118.4° | 120.0° |
| C26 | C27 | C43 | H29 | 120.6° | 119.9° |
| C26 | C27 | C43 | O28 | 170.8° | 175.0° |
| C27 | C26 | C25 | H25 | 67.5° | 60.0° |
| C27 | C26 | O34 | H28 | 55.7° | 60.0° |
| C26 | C27 | O35 | H30 | 180.0° | 60.0° |
| C26 | C27 | C43 | H31 | 50.7° | 54.9° |
| C26 | C27 | C43 | H32 | 69.2° | 65.0° |
| O34 | C26 | C27 | O35 | 49.5° | 180.0° |
| O34 | C26 | C27 | C43 | 70.3° | 59.9° |
| O34 | C26 | C25 | H25 | 54.5° | 60.0° |
| O34 | C26 | C27 | H29 | 168.8° | 60.0° |
| C03 | N02 | C01 | N06 | 4.2° | 4.1° |
| C03 | N02 | C01 | H6 | 180.0° | 179.9° |
| C03 | N02 | C01 | O17 | 179.3° | 175.7° |
| O35 | C27 | C43 | H29 | 119.3° | 120.0° |
| O35 | C27 | C43 | O28 | 69.1° | 65.0° |
| O35 | C27 | C26 | H27 | 69.4° | 60.0° |
| O35 | C27 | C43 | H31 | 170.8° | 175.0° |
| O35 | C27 | C43 | H32 | 50.9° | 55.0° |
| C27 | C43 | O28 | H31 | 120.0° | 120.0° |
| C27 | C43 | O28 | H32 | 120.0° | 120.0° |
| C27 | C43 | O28 | P29 | 117.1° | 179.9° |
| C43 | C27 | C26 | H27 | 170.8° | 60.0° |
| C43 | C27 | O35 | H30 | 57.2° | 60.1° |
| C27 | C43 | H31 | H32 | 119.9° | 119.9° |
| C37 | C38 | C42 | C39 | 163.0° | 179.5° |
| C37 | C38 | C42 | C41 | 160.1° | 180.0° |
| C37 | C38 | C39 | F49 | 16.0° | 0.3° |
| C37 | C38 | C39 | C40 | 163.7° | 180.0° |
| C38 | C37 | H1 | H2 | 110.9° | 120.0° |
| C38 | C37 | C36 | H3 | 96.5° | 54.8° |
| C38 | C37 | C36 | H4 | 21.1° | 65.2° |
| N06 | C01 | N02 | O17 | 175.2° | 179.8° |
| N06 | C01 | N02 | H6 | 175.8° | 176.0° |
| C43 | O28 | P29 | O31 | 169.7° | 55.0° |
| C43 | O28 | P29 | O30 | 74.3° | 175.0° |
| C43 | O28 | P29 | O32 | 46.4° | 65.0° |
| O28 | C43 | C27 | H29 | 50.2° | 55.0° |
| O28 | C43 | H31 | H32 | 119.9° | 120.1° |
| O28 | P29 | O31 | O30 | 112.4° | 120.0° |
| O28 | P29 | O31 | O32 | 117.5° | 120.0° |
| O28 | P29 | O30 | O32 | 118.2° | 120.0° |
| P29 | O28 | C43 | H31 | 122.8° | 60.0° |
| P29 | O28 | C43 | H32 | 2.9° | 60.0° |
| O28 | P29 | O30 | H33 | 109.4° | 180.0° |
| O28 | P29 | O32 | H34 | 113.6° | 60.0° |
| C38 | C42 | C41 | F45 | 177.3° | 179.7° |
| C38 | C42 | C41 | C46 | 1.7° | 0.3° |
| C42 | C38 | C39 | F49 | 179.7° | 179.8° |
| C42 | C38 | C39 | C40 | 0.0° | 0.5° |
| C42 | C38 | C37 | H1 | 124.2° | 150.0° |
| C42 | C38 | C37 | H2 | 121.1° | 29.9° |
| C41 | C42 | C38 | C39 | 2.9° | 0.5° |
| C42 | C41 | F45 | C46 | 179.0° | 180.0° |
| C42 | C41 | C46 | C40 | 2.4° | 0.0° |
| C42 | C41 | C46 | F47 | 177.5° | 180.0° |
| N02 | C01 | N06 | H22 | 180.0° | 175.3° |
| C38 | C39 | F49 | C40 | 179.7° | 179.7° |
| C38 | C39 | C40 | C46 | 4.0° | 0.2° |
| C38 | C39 | C40 | F48 | 177.2° | 179.7° |
| C39 | C38 | C37 | H1 | 36.9° | 29.5° |
| C39 | C38 | C37 | H2 | 77.8° | 149.5° |
| F45 | C41 | C46 | C40 | 178.7° | 180.0° |
| F45 | C41 | C46 | F47 | 3.5° | 0.0° |
| O17 | C01 | N02 | H6 | 0.7° | 4.2° |
| O17 | C01 | N06 | H22 | 4.9° | 4.9° |
| O31 | P29 | O30 | O32 | 132.3° | 120.0° |
| O31 | P29 | O30 | H33 | 0.0° | 60.0° |
| O31 | P29 | O32 | H34 | 0.0° | 180.0° |
| C41 | C46 | C40 | C39 | 5.1° | 0.1° |
| C41 | C46 | C40 | F47 | 175.8° | 180.0° |
| C41 | C46 | C40 | F48 | 178.3° | 180.0° |
| O30 | P29 | O32 | H34 | 129.5° | 60.0° |
| O32 | P29 | O30 | H33 | 132.4° | 60.0° |
| F49 | C39 | C40 | C46 | 175.7° | 179.9° |
| F49 | C39 | C40 | F48 | 2.5° | 0.0° |
| C39 | C40 | C46 | F48 | 173.1° | 179.9° |
| C39 | C40 | C46 | F47 | 179.1° | 180.0° |
| F47 | C46 | C40 | F48 | 6.0° | 0.1° |
| H1 | C37 | C36 | H3 | 140.9° | 174.8° |
| H1 | C37 | C36 | H4 | 101.6° | 54.8° |
| H2 | C37 | C36 | H3 | 26.2° | 65.2° |
| H2 | C37 | C36 | H4 | 143.7° | 174.9° |
| H3 | C36 | C19 | H5 | 86.4° | 66.2° |
| H4 | C36 | C19 | H5 | 156.0° | 173.7° |
| H5 | C19 | C21 | H7 | 12.2° | 167.1° |
| H5 | C19 | C21 | H8 | 129.9° | 48.2° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
| H15 | C16 | H16 | H17 | 120.0° | 119.9° |
| H18 | C15 | H19 | H20 | 119.9° | 120.1° |
| H23 | C18 | C25 | H25 | 57.6° | 65.0° |
| H24 | C18 | C25 | H25 | 175.8° | 175.0° |
| H25 | C25 | O33 | H26 | 61.9° | 179.9° |
| H25 | C25 | C26 | H27 | 172.8° | 180.0° |
| H27 | C26 | O34 | H28 | 62.3° | 180.0° |
| H27 | C26 | C27 | H29 | 49.9° | 180.0° |
| H29 | C27 | O35 | H30 | 61.6° | 179.9° |
| H29 | C27 | C43 | H31 | 69.8° | 65.0° |
| H29 | C27 | C43 | H32 | 170.2° | 175.0° |
