A1JA2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N37 | C36 | doub | 1.32Å | 1.34Å | Aromatic |
| N37 | C38 | sing | 1.32Å | 1.33Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C39 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | N31 | sing | 1.39Å | 1.40Å | |
| N31 | C32 | sing | 1.47Å | 1.47Å | |
| N31 | C30 | sing | 1.47Å | 1.47Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C33 | N28 | sing | 1.47Å | 1.49Å | |
| N28 | C29 | sing | 1.47Å | 1.49Å | |
| N28 | C27 | sing | 1.47Å | 1.52Å | |
| CL1 | C2 | sing | 1.74Å | 1.74Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C2 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C40 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.49Å | |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | CL5 | sing | 1.74Å | 1.74Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | N13 | sing | 1.47Å | 1.50Å | |
| C12 | N13 | sing | 1.47Å | 1.51Å | |
| C15 | N16 | sing | 1.47Å | 1.46Å | |
| N13 | C18 | sing | 1.47Å | 1.50Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N22 | sing | 1.32Å | 1.34Å | Aromatic |
| N16 | C19 | sing | 1.39Å | 1.40Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| C19 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N22 | C23 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N37 | C38 | 116.7° | 121.9° |
| N37 | C36 | C35 | 123.8° | 120.8° |
| N37 | C36 | H36 | 118.1° | 119.6° |
| N37 | C38 | C39 | 123.8° | 120.8° |
| N37 | C38 | H38 | 118.1° | 119.6° |
| C36 | C35 | C34 | 119.2° | 119.1° |
| C36 | C35 | H35 | 120.4° | 120.4° |
| C35 | C36 | H36 | 118.1° | 119.6° |
| C38 | C39 | C34 | 119.2° | 119.1° |
| C39 | C38 | H38 | 118.1° | 119.6° |
| C38 | C39 | H39 | 120.4° | 120.5° |
| C35 | C34 | C39 | 117.4° | 118.2° |
| C35 | C34 | N31 | 121.1° | 120.9° |
| C34 | C35 | H35 | 120.4° | 120.4° |
| C39 | C34 | N31 | 121.5° | 120.9° |
| C34 | C39 | H39 | 120.4° | 120.4° |
| C34 | N31 | C32 | 117.6° | 110.9° |
| C34 | N31 | C30 | 120.1° | 111.0° |
| C32 | N31 | C30 | 112.3° | 110.9° |
| N31 | C32 | C33 | 110.7° | 109.3° |
| N31 | C32 | H32B | 109.1° | 109.5° |
| N31 | C32 | H32A | 109.2° | 109.5° |
| N31 | C30 | C29 | 110.7° | 109.4° |
| N31 | C30 | H30A | 109.2° | 109.5° |
| N31 | C30 | H30B | 109.2° | 109.5° |
| C32 | C33 | N28 | 109.0° | 109.4° |
| C33 | C32 | H32B | 109.2° | 109.5° |
| C33 | C32 | H32A | 109.2° | 109.5° |
| C32 | C33 | H33B | 109.6° | 109.5° |
| C32 | C33 | H33A | 109.6° | 109.5° |
| C30 | C29 | N28 | 109.6° | 109.4° |
| C30 | C29 | H29A | 109.4° | 109.5° |
| C30 | C29 | H29B | 109.4° | 109.5° |
| C29 | C30 | H30A | 109.2° | 109.5° |
| C29 | C30 | H30B | 109.2° | 109.5° |
| C33 | N28 | C29 | 111.1° | 110.9° |
| C33 | N28 | C27 | 112.9° | 111.0° |
| N28 | C33 | H33B | 109.6° | 109.5° |
| N28 | C33 | H33A | 109.6° | 109.5° |
| C29 | N28 | C27 | 116.1° | 111.0° |
| N28 | C29 | H29A | 109.4° | 109.5° |
| N28 | C29 | H29B | 109.5° | 109.4° |
| N28 | C27 | C26 | 117.8° | 109.5° |
| N28 | C27 | H27B | 107.4° | 109.5° |
| N28 | C27 | H27A | 107.4° | 109.4° |
| CL1 | C2 | C8 | 119.0° | 120.0° |
| CL1 | C2 | C3 | 118.8° | 119.9° |
| C27 | C26 | C40 | 122.3° | 119.9° |
| C27 | C26 | C25 | 118.8° | 120.0° |
| C26 | C27 | H27B | 107.4° | 109.5° |
| C26 | C27 | H27A | 107.3° | 109.4° |
| C8 | C2 | C3 | 122.2° | 120.1° |
| C2 | C8 | C7 | 119.7° | 119.9° |
| C2 | C8 | H8 | 120.2° | 120.1° |
| C2 | C3 | C4 | 117.5° | 120.2° |
| C2 | C3 | H3 | 121.2° | 119.9° |
| C8 | C7 | C9 | 121.3° | 120.1° |
| C8 | C7 | C6 | 118.7° | 119.8° |
| C7 | C8 | H8 | 120.2° | 120.1° |
| C26 | C40 | C9 | 121.5° | 119.9° |
| C40 | C26 | C25 | 118.6° | 120.1° |
| C26 | C40 | H40 | 119.2° | 120.1° |
| C40 | C9 | C7 | 122.1° | 120.1° |
| C40 | C9 | C10 | 118.1° | 119.7° |
| C9 | C40 | H40 | 119.3° | 120.0° |
| C26 | C25 | C11 | 121.4° | 120.2° |
| C26 | C25 | H25 | 119.3° | 119.9° |
| C3 | C4 | C6 | 122.0° | 120.1° |
| C3 | C4 | CL5 | 119.0° | 120.0° |
| C4 | C3 | H3 | 121.3° | 119.9° |
| C9 | C7 | C6 | 120.0° | 120.1° |
| C7 | C9 | C10 | 119.8° | 120.1° |
| C7 | C6 | C4 | 119.9° | 119.9° |
| C7 | C6 | H6 | 120.0° | 120.1° |
| C9 | C10 | C11 | 121.6° | 119.9° |
| C9 | C10 | H10 | 119.2° | 120.1° |
| C25 | C11 | C10 | 118.9° | 120.1° |
| C25 | C11 | C12 | 120.4° | 119.9° |
| C11 | C25 | H25 | 119.3° | 119.9° |
| C6 | C4 | CL5 | 119.0° | 119.9° |
| C4 | C6 | H6 | 120.1° | 120.1° |
| C10 | C11 | C12 | 120.6° | 119.9° |
| C11 | C10 | H10 | 119.2° | 120.1° |
| C11 | C12 | N13 | 113.3° | 109.5° |
| C11 | C12 | H12B | 108.5° | 109.5° |
| C11 | C12 | H12A | 108.5° | 109.5° |
| C15 | C14 | N13 | 109.3° | 109.4° |
| C14 | C15 | N16 | 110.4° | 109.3° |
| C14 | C15 | H15A | 109.2° | 109.5° |
| C14 | C15 | H15B | 109.2° | 109.5° |
| C15 | C14 | H14A | 109.5° | 109.5° |
| C15 | C14 | H14B | 109.5° | 109.4° |
| C14 | N13 | C12 | 112.7° | 111.0° |
| C14 | N13 | C18 | 110.0° | 110.9° |
| N13 | C14 | H14A | 109.5° | 109.5° |
| N13 | C14 | H14B | 109.5° | 109.5° |
| C12 | N13 | C18 | 111.7° | 111.0° |
| N13 | C12 | H12B | 108.5° | 109.4° |
| N13 | C12 | H12A | 108.5° | 109.5° |
| C15 | N16 | C19 | 120.0° | 111.0° |
| C15 | N16 | C17 | 111.5° | 110.9° |
| N16 | C15 | H15A | 109.2° | 109.5° |
| N16 | C15 | H15B | 109.2° | 109.5° |
| N13 | C18 | C17 | 109.0° | 109.3° |
| N13 | C18 | H18B | 109.6° | 109.5° |
| N13 | C18 | H18A | 109.6° | 109.5° |
| C21 | C20 | C19 | 119.2° | 119.0° |
| C20 | C21 | N22 | 123.8° | 120.9° |
| C21 | C20 | H20 | 120.4° | 120.5° |
| C20 | C21 | H21 | 118.1° | 119.6° |
| C20 | C19 | N16 | 121.3° | 120.9° |
| C20 | C19 | C24 | 117.4° | 118.3° |
| C19 | C20 | H20 | 120.4° | 120.5° |
| C21 | N22 | C23 | 116.7° | 121.9° |
| N22 | C21 | H21 | 118.1° | 119.6° |
| C19 | N16 | C17 | 121.3° | 111.0° |
| N16 | C19 | C24 | 121.3° | 120.9° |
| N16 | C17 | C18 | 110.4° | 109.4° |
| N16 | C17 | H17B | 109.2° | 109.5° |
| N16 | C17 | H17A | 109.3° | 109.5° |
| C19 | C24 | C23 | 119.2° | 119.1° |
| C19 | C24 | H24 | 120.4° | 120.5° |
| C18 | C17 | H17B | 109.2° | 109.5° |
| C18 | C17 | H17A | 109.3° | 109.6° |
| C17 | C18 | H18B | 109.6° | 109.5° |
| C17 | C18 | H18A | 109.6° | 109.5° |
| N22 | C23 | C24 | 123.8° | 120.8° |
| N22 | C23 | H23 | 118.1° | 119.6° |
| C23 | C24 | H24 | 120.4° | 120.5° |
| C24 | C23 | H23 | 118.1° | 119.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H17B | C17 | H17A | 109.5° | 109.4° |
| H12B | C12 | H12A | 109.4° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H18B | C18 | H18A | 109.5° | 109.5° |
| H27B | C27 | H27A | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.4° | 109.5° |
| H32B | C32 | H32A | 109.5° | 109.5° |
| H33B | C33 | H33A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N37 | C36 | C35 | H36 | 180.0° | 180.0° |
| C36 | N37 | C38 | C39 | 0.0° | 0.4° |
| N37 | C36 | C35 | C34 | 0.1° | 0.0° |
| N37 | C36 | C35 | H35 | 180.0° | 180.0° |
| C36 | N37 | C38 | H38 | 180.0° | 179.7° |
| C38 | N37 | C36 | C35 | 0.0° | 0.3° |
| N37 | C38 | C39 | H38 | 180.0° | 179.9° |
| N37 | C38 | C39 | C34 | 0.0° | 0.1° |
| C38 | N37 | C36 | H36 | 180.0° | 179.7° |
| N37 | C38 | C39 | H39 | 180.0° | 180.0° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | C39 | 0.1° | 0.3° |
| C36 | C35 | C34 | N31 | 178.7° | 180.0° |
| C38 | C39 | C34 | C35 | 0.0° | 0.2° |
| C38 | C39 | C34 | H39 | 180.0° | 179.9° |
| C38 | C39 | C34 | N31 | 178.7° | 179.9° |
| C35 | C34 | C39 | N31 | 178.7° | 179.7° |
| C35 | C34 | N31 | C32 | 19.5° | 180.0° |
| C35 | C34 | N31 | C30 | 162.6° | 56.2° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| C35 | C34 | C39 | H39 | 180.0° | 179.6° |
| C39 | C34 | N31 | C32 | 161.9° | 0.3° |
| C39 | C34 | N31 | C30 | 18.8° | 123.5° |
| C39 | C34 | C35 | H35 | 180.0° | 179.7° |
| C34 | C39 | C38 | H38 | 180.0° | 180.0° |
| C34 | N31 | C32 | C30 | 145.8° | 123.9° |
| C34 | N31 | C32 | C33 | 169.2° | 176.8° |
| C34 | N31 | C30 | C29 | 149.5° | 176.8° |
| C34 | N31 | C30 | H30A | 90.3° | 56.9° |
| C34 | N31 | C30 | H30B | 29.3° | 63.2° |
| C34 | N31 | C32 | H32B | 70.6° | 63.3° |
| C34 | N31 | C32 | H32A | 49.1° | 56.8° |
| N31 | C34 | C35 | H35 | 1.3° | 0.0° |
| N31 | C34 | C39 | H39 | 1.3° | 0.1° |
| N31 | C32 | C33 | H32B | 120.2° | 119.9° |
| N31 | C32 | C33 | H32A | 120.2° | 120.0° |
| C32 | N31 | C30 | C29 | 65.6° | 59.4° |
| N31 | C32 | C33 | N28 | 40.2° | 58.4° |
| C32 | N31 | C30 | H30A | 54.6° | 179.3° |
| C32 | N31 | C30 | H30B | 174.2° | 60.6° |
| N31 | C32 | H32B | H32A | 119.4° | 120.1° |
| N31 | C32 | C33 | H33B | 160.2° | 61.6° |
| N31 | C32 | C33 | H33A | 79.7° | 178.4° |
| C30 | N31 | C32 | C33 | 23.4° | 59.3° |
| N31 | C30 | C29 | H30A | 120.2° | 120.0° |
| N31 | C30 | C29 | H30B | 120.2° | 120.0° |
| N31 | C30 | C29 | N28 | 37.6° | 58.4° |
| N31 | C30 | C29 | H29A | 157.6° | 178.4° |
| N31 | C30 | C29 | H29B | 82.5° | 61.6° |
| N31 | C30 | H30A | H30B | 119.4° | 120.0° |
| C30 | N31 | C32 | H32B | 143.6° | 60.6° |
| C30 | N31 | C32 | H32A | 96.8° | 179.3° |
| C32 | C33 | N28 | H33B | 119.9° | 120.0° |
| C32 | C33 | N28 | H33A | 119.9° | 120.0° |
| C32 | C33 | N28 | C29 | 67.4° | 59.3° |
| C32 | C33 | N28 | C27 | 160.1° | 64.5° |
| C33 | C32 | H32B | H32A | 119.4° | 120.1° |
| C32 | C33 | H33B | H33A | 120.2° | 120.1° |
| C30 | C29 | N28 | C33 | 25.9° | 59.3° |
| C30 | C29 | N28 | H29A | 120.0° | 120.0° |
| C30 | C29 | N28 | H29B | 120.0° | 120.0° |
| C30 | C29 | N28 | C27 | 156.7° | 64.5° |
| C30 | C29 | H29A | H29B | 119.9° | 120.1° |
| C29 | C30 | H30A | H30B | 119.5° | 120.1° |
| C33 | N28 | C29 | C27 | 130.8° | 123.8° |
| C33 | N28 | C27 | C26 | 88.6° | 170.0° |
| C33 | N28 | C27 | H27B | 150.2° | 70.0° |
| C33 | N28 | C27 | H27A | 32.6° | 50.1° |
| C33 | N28 | C29 | H29A | 94.1° | 179.3° |
| C33 | N28 | C29 | H29B | 145.9° | 60.7° |
| N28 | C33 | C32 | H32B | 80.0° | 61.6° |
| N28 | C33 | C32 | H32A | 160.4° | 178.4° |
| N28 | C33 | H33B | H33A | 120.2° | 120.0° |
| C29 | N28 | C27 | C26 | 41.4° | 66.3° |
| C29 | N28 | C27 | H27B | 79.8° | 53.8° |
| C29 | N28 | C27 | H27A | 162.6° | 173.8° |
| N28 | C29 | H29A | H29B | 119.9° | 120.0° |
| N28 | C29 | C30 | H30A | 82.6° | 178.4° |
| N28 | C29 | C30 | H30B | 157.8° | 61.6° |
| C29 | N28 | C33 | H33B | 172.7° | 60.7° |
| C29 | N28 | C33 | H33A | 52.6° | 179.3° |
| N28 | C27 | C26 | H27B | 121.2° | 120.0° |
| N28 | C27 | C26 | H27A | 121.2° | 119.9° |
| N28 | C27 | C26 | C40 | 31.0° | 89.4° |
| N28 | C27 | C26 | C25 | 155.0° | 89.9° |
| N28 | C27 | H27B | H27A | 116.3° | 120.0° |
| C27 | N28 | C29 | H29A | 36.7° | 55.4° |
| C27 | N28 | C29 | H29B | 83.3° | 175.4° |
| C27 | N28 | C33 | H33B | 40.2° | 175.5° |
| C27 | N28 | C33 | H33A | 79.9° | 55.4° |
| CL1 | C2 | C8 | C3 | 178.6° | 179.7° |
| CL1 | C2 | C8 | C7 | 178.6° | 180.0° |
| CL1 | C2 | C3 | C4 | 178.6° | 179.8° |
| CL1 | C2 | C8 | H8 | 1.4° | 0.1° |
| CL1 | C2 | C3 | H3 | 1.4° | 0.3° |
| C27 | C26 | C40 | C25 | 174.0° | 179.4° |
| C27 | C26 | C40 | C9 | 173.8° | 179.8° |
| C27 | C26 | C25 | C11 | 173.8° | 180.0° |
| C27 | C26 | C25 | H25 | 6.2° | 0.0° |
| C26 | C27 | H27B | H27A | 116.2° | 120.0° |
| C27 | C26 | C40 | H40 | 6.2° | 0.6° |
| C2 | C8 | C7 | H8 | 180.0° | 179.9° |
| C8 | C2 | C3 | C4 | 0.0° | 0.6° |
| C2 | C8 | C7 | C9 | 178.1° | 179.9° |
| C2 | C8 | C7 | C6 | 0.0° | 0.1° |
| C8 | C2 | C3 | H3 | 180.0° | 179.9° |
| C3 | C2 | C8 | C7 | 0.0° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.5° |
| C2 | C3 | C4 | C6 | 0.1° | 0.6° |
| C2 | C3 | C4 | CL5 | 179.4° | 179.7° |
| C3 | C2 | C8 | H8 | 180.0° | 179.8° |
| C8 | C7 | C9 | C40 | 35.1° | 0.0° |
| C8 | C7 | C9 | C6 | 178.0° | 180.0° |
| C8 | C7 | C9 | C10 | 147.9° | 180.0° |
| C8 | C7 | C6 | C4 | 0.0° | 0.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.9° |
| C26 | C40 | C9 | H40 | 180.0° | 179.2° |
| C26 | C40 | C9 | C7 | 176.9° | 179.5° |
| C26 | C40 | C9 | C10 | 0.1° | 0.5° |
| C40 | C26 | C25 | C11 | 0.4° | 0.6° |
| C40 | C26 | C25 | H25 | 179.6° | 179.4° |
| C40 | C26 | C27 | H27B | 152.2° | 30.6° |
| C40 | C26 | C27 | H27A | 90.2° | 150.6° |
| C9 | C40 | C26 | C25 | 0.2° | 0.9° |
| C40 | C9 | C7 | C10 | 177.0° | 180.0° |
| C40 | C9 | C7 | C6 | 146.9° | 180.0° |
| C40 | C9 | C10 | C11 | 0.2° | 0.0° |
| C40 | C9 | C10 | H10 | 179.8° | 179.7° |
| C26 | C25 | C11 | H25 | 180.0° | 180.0° |
| C26 | C25 | C11 | C10 | 0.5° | 0.1° |
| C26 | C25 | C11 | C12 | 174.7° | 180.0° |
| C25 | C26 | C27 | H27B | 33.8° | 150.0° |
| C25 | C26 | C27 | H27A | 83.8° | 30.0° |
| C25 | C26 | C40 | H40 | 179.8° | 180.0° |
| C3 | C4 | C6 | C7 | 0.1° | 0.3° |
| C3 | C4 | C6 | CL5 | 179.4° | 179.7° |
| C3 | C4 | C6 | H6 | 179.9° | 179.8° |
| C9 | C7 | C6 | C4 | 178.1° | 179.9° |
| C7 | C9 | C10 | C11 | 176.9° | 180.0° |
| C9 | C7 | C6 | H6 | 1.9° | 0.1° |
| C9 | C7 | C8 | H8 | 1.9° | 0.0° |
| C7 | C9 | C10 | H10 | 3.1° | 0.3° |
| C7 | C9 | C40 | H40 | 3.1° | 0.3° |
| C6 | C7 | C9 | C10 | 30.1° | 0.0° |
| C7 | C6 | C4 | H6 | 180.0° | 179.9° |
| C7 | C6 | C4 | CL5 | 179.3° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | C25 | 0.4° | 0.2° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 174.7° | 179.7° |
| C10 | C9 | C40 | H40 | 179.9° | 179.7° |
| C25 | C11 | C10 | C12 | 175.2° | 179.9° |
| C25 | C11 | C12 | N13 | 93.2° | 89.9° |
| C25 | C11 | C10 | H10 | 179.6° | 180.0° |
| C25 | C11 | C12 | H12B | 146.2° | 30.0° |
| C25 | C11 | C12 | H12A | 27.4° | 150.0° |
| C6 | C4 | C3 | H3 | 180.0° | 180.0° |
| CL5 | C4 | C6 | H6 | 0.6° | 0.1° |
| CL5 | C4 | C3 | H3 | 0.6° | 0.3° |
| C10 | C11 | C12 | N13 | 81.9° | 90.0° |
| C10 | C11 | C12 | H12B | 38.7° | 150.0° |
| C10 | C11 | C12 | H12A | 157.5° | 30.1° |
| C10 | C11 | C25 | H25 | 179.5° | 179.9° |
| C11 | C12 | N13 | C14 | 55.7° | 170.0° |
| C11 | C12 | N13 | H12B | 120.6° | 120.0° |
| C11 | C12 | N13 | H12A | 120.6° | 120.1° |
| C11 | C12 | N13 | C18 | 179.9° | 66.2° |
| C12 | C11 | C10 | H10 | 5.2° | 0.0° |
| C11 | C12 | H12B | H12A | 118.2° | 120.0° |
| C12 | C11 | C25 | H25 | 5.3° | 0.0° |
| C15 | C14 | N13 | H14A | 120.0° | 120.0° |
| C15 | C14 | N13 | H14B | 119.9° | 119.9° |
| C15 | C14 | N13 | C12 | 176.1° | 64.5° |
| C14 | C15 | N16 | H15A | 120.1° | 119.9° |
| C14 | C15 | N16 | H15B | 120.1° | 120.0° |
| C15 | C14 | N13 | C18 | 58.5° | 59.3° |
| C14 | C15 | N16 | C19 | 92.7° | 176.9° |
| C14 | C15 | N16 | C17 | 58.0° | 59.3° |
| C14 | C15 | H15A | H15B | 119.6° | 120.1° |
| C15 | C14 | H14A | H14B | 120.1° | 120.0° |
| C14 | N13 | C12 | C18 | 124.4° | 123.8° |
| N13 | C14 | C15 | N16 | 57.4° | 58.4° |
| C14 | N13 | C18 | C17 | 59.3° | 59.3° |
| N13 | C14 | C15 | H15A | 177.5° | 61.5° |
| N13 | C14 | C15 | H15B | 62.7° | 178.4° |
| C14 | N13 | C12 | H12B | 176.2° | 70.0° |
| C14 | N13 | C12 | H12A | 64.9° | 49.9° |
| N13 | C14 | H14A | H14B | 120.1° | 120.1° |
| C14 | N13 | C18 | H18B | 179.2° | 179.3° |
| C14 | N13 | C18 | H18A | 60.7° | 60.7° |
| C12 | N13 | C18 | C17 | 174.8° | 64.6° |
| N13 | C12 | H12B | H12A | 118.2° | 120.0° |
| C12 | N13 | C14 | H14A | 56.1° | 175.5° |
| C12 | N13 | C14 | H14B | 64.0° | 55.4° |
| C12 | N13 | C18 | H18B | 54.9° | 55.4° |
| C12 | N13 | C18 | H18A | 65.3° | 175.5° |
| C15 | N16 | C19 | C20 | 22.0° | 180.0° |
| C15 | N16 | C19 | C17 | 147.8° | 123.8° |
| C15 | N16 | C19 | C24 | 157.8° | 0.0° |
| C15 | N16 | C17 | C18 | 58.8° | 59.3° |
| N16 | C15 | H15A | H15B | 119.6° | 120.1° |
| C15 | N16 | C17 | H17B | 178.9° | 179.3° |
| C15 | N16 | C17 | H17A | 61.3° | 60.7° |
| N16 | C15 | C14 | H14A | 177.4° | 61.6° |
| N16 | C15 | C14 | H14B | 62.6° | 178.4° |
| N13 | C18 | C17 | N16 | 58.8° | 58.4° |
| N13 | C18 | C17 | H18B | 119.9° | 119.9° |
| N13 | C18 | C17 | H18A | 119.9° | 120.0° |
| N13 | C18 | C17 | H17B | 178.9° | 178.4° |
| N13 | C18 | C17 | H17A | 61.4° | 61.6° |
| C18 | N13 | C12 | H12B | 59.3° | 53.8° |
| C18 | N13 | C12 | H12A | 59.5° | 173.8° |
| C18 | N13 | C14 | H14A | 178.5° | 60.6° |
| C18 | N13 | C14 | H14B | 61.4° | 179.3° |
| N13 | C18 | H18B | H18A | 120.2° | 120.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.7° |
| C20 | C21 | N22 | H21 | 180.0° | 180.0° |
| C21 | C20 | C19 | N16 | 179.8° | 180.0° |
| C21 | C20 | C19 | C24 | 0.0° | 0.0° |
| C20 | C21 | N22 | C23 | 0.0° | 0.0° |
| C19 | C20 | C21 | N22 | 0.0° | 0.0° |
| C20 | C19 | N16 | C24 | 179.8° | 180.0° |
| C20 | C19 | N16 | C17 | 169.8° | 56.2° |
| C20 | C19 | C24 | C23 | 0.0° | 0.0° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C19 | C24 | H24 | 180.0° | 180.0° |
| C21 | N22 | C23 | C24 | 0.0° | 0.0° |
| N22 | C21 | C20 | H20 | 180.0° | 179.7° |
| C21 | N22 | C23 | H23 | 180.0° | 180.0° |
| C19 | N16 | C17 | C18 | 91.5° | 176.8° |
| N16 | C19 | C24 | C23 | 179.8° | 180.0° |
| C19 | N16 | C15 | H15A | 27.4° | 63.2° |
| C19 | N16 | C15 | H15B | 147.1° | 56.9° |
| C19 | N16 | C17 | H17B | 28.7° | 56.8° |
| C19 | N16 | C17 | H17A | 148.4° | 63.1° |
| N16 | C19 | C20 | H20 | 0.2° | 0.3° |
| N16 | C19 | C24 | H24 | 0.2° | 0.0° |
| C17 | N16 | C19 | C24 | 10.0° | 123.8° |
| N16 | C17 | C18 | H17B | 120.1° | 120.0° |
| N16 | C17 | C18 | H17A | 120.1° | 120.0° |
| C17 | N16 | C15 | H15A | 178.1° | 60.6° |
| C17 | N16 | C15 | H15B | 62.2° | 179.3° |
| N16 | C17 | H17B | H17A | 119.6° | 120.0° |
| N16 | C17 | C18 | H18B | 178.7° | 178.4° |
| N16 | C17 | C18 | H18A | 61.2° | 61.5° |
| C19 | C24 | C23 | N22 | 0.0° | 0.0° |
| C19 | C24 | C23 | H24 | 180.0° | 180.0° |
| C24 | C19 | C20 | H20 | 180.0° | 179.7° |
| C19 | C24 | C23 | H23 | 180.0° | 180.0° |
| C18 | C17 | H17B | H17A | 119.6° | 120.1° |
| C17 | C18 | H18B | H18A | 120.2° | 120.1° |
| N22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C23 | N22 | C21 | H21 | 180.0° | 180.0° |
| N22 | C23 | C24 | H24 | 180.0° | 180.0° |
| H15A | C15 | C14 | H14A | 62.5° | 178.5° |
| H15A | C15 | C14 | H14B | 57.6° | 58.4° |
| H15B | C15 | C14 | H14A | 57.2° | 58.4° |
| H15B | C15 | C14 | H14B | 177.3° | 61.7° |
| H17B | C17 | C18 | H18B | 61.2° | 61.7° |
| H17B | C17 | C18 | H18A | 58.9° | 58.4° |
| H17A | C17 | C18 | H18B | 58.5° | 58.4° |
| H17A | C17 | C18 | H18A | 178.7° | 178.4° |
| H20 | C20 | C21 | H21 | 0.0° | 0.3° |
| H24 | C24 | C23 | H23 | 0.0° | 0.1° |
| H29A | C29 | C30 | H30A | 37.4° | 61.6° |
| H29A | C29 | C30 | H30B | 82.2° | 58.4° |
| H29B | C29 | C30 | H30A | 157.4° | 58.4° |
| H29B | C29 | C30 | H30B | 37.7° | 178.4° |
| H32B | C32 | C33 | H33B | 40.0° | 178.5° |
| H32B | C32 | C33 | H33A | 160.1° | 58.4° |
| H32A | C32 | C33 | H33B | 79.7° | 58.4° |
| H32A | C32 | C33 | H33A | 40.4° | 61.6° |
| H35 | C35 | C36 | H36 | 0.0° | 0.0° |
| H38 | C38 | C39 | H39 | 0.0° | 0.1° |
