4D5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N36 | C33 | doub | 1.31Å | 1.30Å | Aromatic |
| N36 | N35 | sing | 1.28Å | 1.36Å | Aromatic |
| O42 | C41 | sing | 1.43Å | 1.43Å | |
| O42 | C43 | sing | 1.43Å | 1.42Å | |
| C33 | N32 | sing | 1.35Å | 1.34Å | Aromatic |
| C41 | C40 | sing | 1.53Å | 1.50Å | |
| C40 | N39 | sing | 1.47Å | 1.47Å | |
| N35 | N34 | doub | 1.29Å | 1.29Å | Aromatic |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C44 | N39 | sing | 1.47Å | 1.46Å | |
| N39 | C25 | sing | 1.35Å | 1.35Å | |
| N32 | N34 | sing | 1.40Å | 1.35Å | Aromatic |
| N32 | C27 | sing | 1.40Å | 1.42Å | |
| CL9 | C3 | sing | 1.74Å | 1.72Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C25 | sing | 1.51Å | 1.51Å | |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| C25 | O38 | doub | 1.21Å | 1.23Å | |
| N2 | C3 | sing | 1.34Å | 1.36Å | Aromatic |
| N2 | C1 | doub | 1.30Å | 1.32Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.47Å | 1.47Å | |
| C24 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C21 | doub | 1.35Å | 1.33Å | |
| N7 | C6 | sing | 1.46Å | 1.46Å | |
| N7 | C20 | sing | 1.35Å | 1.35Å | |
| C6 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | N5 | sing | 1.35Å | 1.36Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | CL3 | sing | 1.74Å | 1.74Å | |
| C4 | N5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C10 | sing | 1.48Å | 1.48Å | |
| C21 | C20 | sing | 1.46Å | 1.48Å | |
| C20 | O22 | doub | 1.22Å | 1.24Å | |
| C15 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N16 | sing | 1.40Å | 1.43Å | |
| O18 | C17 | doub | 1.21Å | 1.21Å | |
| N16 | C17 | sing | 1.35Å | 1.36Å | |
| C17 | O19 | sing | 1.35Å | 1.34Å | |
| O19 | C26 | sing | 1.45Å | 1.45Å | |
| C15 | H53 | sing | 1.08Å | 1.08Å | |
| C21 | H55 | sing | 1.08Å | 1.08Å | |
| C23 | H56 | sing | 1.08Å | 1.08Å | |
| C11 | H50 | sing | 1.08Å | 1.08Å | |
| C12 | H51 | sing | 1.08Å | 1.08Å | |
| C33 | H63 | sing | 1.08Å | 1.08Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| N7 | H47 | sing | 0.97Å | 1.00Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| C14 | H52 | sing | 1.08Å | 1.08Å | |
| N16 | H54 | sing | 0.97Å | 1.00Å | |
| C26 | H58 | sing | 1.09Å | 1.10Å | |
| C26 | H59 | sing | 1.09Å | 1.10Å | |
| C26 | H57 | sing | 1.09Å | 1.10Å | |
| C28 | H60 | sing | 1.08Å | 1.08Å | |
| C29 | H61 | sing | 1.08Å | 1.08Å | |
| C31 | H62 | sing | 1.08Å | 1.08Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C43 | H69 | sing | 1.09Å | 1.10Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H71 | sing | 1.09Å | 1.10Å | |
| C44 | H70 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | N36 | N35 | 105.8° | 110.7° |
| N36 | C33 | N32 | 109.1° | 107.2° |
| N36 | C33 | H63 | 125.4° | 126.4° |
| N36 | N35 | N34 | 111.1° | 110.2° |
| C41 | O42 | C43 | 110.4° | 114.1° |
| O42 | C41 | C40 | 111.4° | 109.2° |
| O42 | C41 | H66 | 109.0° | 109.5° |
| O42 | C41 | H67 | 109.0° | 109.6° |
| O42 | C43 | C44 | 112.3° | 109.3° |
| O42 | C43 | H69 | 108.8° | 109.5° |
| O42 | C43 | H68 | 108.8° | 109.5° |
| C33 | N32 | N34 | 108.1° | 105.3° |
| C33 | N32 | C27 | 131.6° | 127.3° |
| N32 | C33 | H63 | 125.4° | 126.4° |
| C41 | C40 | N39 | 109.2° | 108.4° |
| C41 | C40 | H64 | 109.6° | 109.6° |
| C41 | C40 | H65 | 109.6° | 109.7° |
| C40 | C41 | H66 | 109.0° | 109.5° |
| C40 | C41 | H67 | 109.0° | 109.5° |
| C40 | N39 | C44 | 109.5° | 118.1° |
| C40 | N39 | C25 | 125.8° | 120.9° |
| N39 | C40 | H64 | 109.5° | 109.7° |
| N39 | C40 | H65 | 109.6° | 109.7° |
| N35 | N34 | N32 | 105.8° | 106.7° |
| C43 | C44 | N39 | 109.7° | 108.6° |
| C44 | C43 | H69 | 108.8° | 109.6° |
| C44 | C43 | H68 | 108.8° | 109.4° |
| C43 | C44 | H71 | 109.4° | 109.7° |
| C43 | C44 | H70 | 109.4° | 109.7° |
| C44 | N39 | C25 | 124.6° | 121.0° |
| N39 | C44 | H71 | 109.4° | 109.8° |
| N39 | C44 | H70 | 109.4° | 109.3° |
| N39 | C25 | C8 | 117.3° | 120.0° |
| N39 | C25 | O38 | 121.7° | 120.1° |
| N34 | N32 | C27 | 120.2° | 127.4° |
| N32 | C27 | C28 | 118.8° | 120.2° |
| N32 | C27 | C24 | 120.9° | 120.2° |
| CL9 | C3 | N2 | 120.5° | 126.1° |
| CL9 | C3 | C4 | 127.9° | 126.1° |
| C27 | C28 | C29 | 120.1° | 120.1° |
| C28 | C27 | C24 | 120.2° | 119.7° |
| C27 | C28 | H60 | 120.0° | 119.9° |
| C28 | C29 | C30 | 119.3° | 120.4° |
| C29 | C28 | H60 | 119.9° | 119.9° |
| C28 | C29 | H61 | 120.3° | 119.8° |
| C27 | C24 | C23 | 122.8° | 120.2° |
| C27 | C24 | C31 | 119.1° | 119.6° |
| C25 | C8 | C6 | 115.6° | 109.5° |
| C8 | C25 | O38 | 120.9° | 119.9° |
| C25 | C8 | H48 | 107.9° | 109.4° |
| C25 | C8 | H49 | 107.9° | 109.5° |
| C8 | C6 | N7 | 110.6° | 109.5° |
| C8 | C6 | C1 | 112.5° | 109.5° |
| C8 | C6 | H46 | 106.7° | 109.5° |
| C6 | C8 | H48 | 107.9° | 109.5° |
| C6 | C8 | H49 | 107.9° | 109.5° |
| C3 | N2 | C1 | 105.6° | 109.6° |
| N2 | C3 | C4 | 111.6° | 107.9° |
| N2 | C1 | C6 | 124.2° | 125.5° |
| N2 | C1 | N5 | 110.6° | 109.0° |
| C29 | C30 | C31 | 121.5° | 120.3° |
| C29 | C30 | CL3 | 119.3° | 119.9° |
| C30 | C29 | H61 | 120.4° | 119.8° |
| C3 | C4 | N5 | 104.1° | 106.5° |
| C3 | C4 | C10 | 134.1° | 126.8° |
| C23 | C24 | C31 | 118.1° | 120.2° |
| C24 | C23 | C21 | 127.8° | 120.0° |
| C24 | C23 | H56 | 116.1° | 120.0° |
| C24 | C31 | C30 | 119.8° | 119.9° |
| C24 | C31 | H62 | 120.1° | 120.1° |
| C23 | C21 | C20 | 127.3° | 120.0° |
| C23 | C21 | H55 | 116.3° | 120.0° |
| C21 | C23 | H56 | 116.1° | 120.0° |
| C6 | N7 | C20 | 119.8° | 120.0° |
| N7 | C6 | C1 | 112.0° | 109.5° |
| N7 | C6 | H46 | 107.6° | 109.5° |
| C6 | N7 | H47 | 120.1° | 120.0° |
| N7 | C20 | C21 | 116.2° | 120.0° |
| N7 | C20 | O22 | 121.3° | 120.0° |
| C20 | N7 | H47 | 120.1° | 120.0° |
| C6 | C1 | N5 | 125.1° | 125.4° |
| C1 | C6 | H46 | 107.1° | 109.4° |
| C1 | N5 | C4 | 108.2° | 107.1° |
| C1 | N5 | H45 | 125.9° | 126.5° |
| C31 | C30 | CL3 | 119.1° | 119.9° |
| C30 | C31 | H62 | 120.1° | 120.1° |
| N5 | C4 | C10 | 121.7° | 126.8° |
| C4 | N5 | H45 | 125.9° | 126.4° |
| C4 | C10 | C15 | 120.8° | 120.0° |
| C4 | C10 | C11 | 120.6° | 120.1° |
| C21 | C20 | O22 | 122.5° | 120.0° |
| C20 | C21 | H55 | 116.3° | 120.0° |
| C10 | C15 | C14 | 120.8° | 119.9° |
| C15 | C10 | C11 | 118.5° | 119.9° |
| C10 | C15 | H53 | 119.6° | 120.1° |
| C15 | C14 | C13 | 120.4° | 120.0° |
| C14 | C15 | H53 | 119.6° | 120.0° |
| C15 | C14 | H52 | 119.8° | 119.9° |
| C10 | C11 | C12 | 121.0° | 119.9° |
| C10 | C11 | H50 | 119.5° | 120.1° |
| C14 | C13 | C12 | 118.8° | 120.2° |
| C14 | C13 | N16 | 124.9° | 119.9° |
| C13 | C14 | H52 | 119.8° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.1° |
| C12 | C11 | H50 | 119.5° | 120.0° |
| C11 | C12 | H51 | 119.8° | 120.0° |
| C12 | C13 | N16 | 116.3° | 120.0° |
| C13 | C12 | H51 | 119.8° | 120.0° |
| C13 | N16 | C17 | 127.6° | 120.0° |
| C13 | N16 | H54 | 116.2° | 120.0° |
| O18 | C17 | N16 | 126.5° | 120.0° |
| O18 | C17 | O19 | 124.3° | 120.1° |
| N16 | C17 | O19 | 109.1° | 120.0° |
| C17 | N16 | H54 | 116.2° | 120.0° |
| C17 | O19 | C26 | 115.9° | 116.9° |
| O19 | C26 | H58 | 109.5° | 109.5° |
| O19 | C26 | H59 | 109.5° | 109.5° |
| O19 | C26 | H57 | 109.5° | 109.4° |
| H48 | C8 | H49 | 109.5° | 109.4° |
| H58 | C26 | H59 | 109.4° | 109.5° |
| H58 | C26 | H57 | 109.5° | 109.5° |
| H59 | C26 | H57 | 109.5° | 109.5° |
| H64 | C40 | H65 | 109.5° | 109.7° |
| H66 | C41 | H67 | 109.5° | 109.5° |
| H69 | C43 | H68 | 109.5° | 109.5° |
| H71 | C44 | H70 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N36 | C33 | N32 | H63 | 180.0° | 179.8° |
| C33 | N36 | N35 | N34 | 0.1° | 0.4° |
| N36 | C33 | N32 | N34 | 0.5° | 0.2° |
| N36 | C33 | N32 | C27 | 177.4° | 179.8° |
| N35 | N36 | C33 | N32 | 0.4° | 0.4° |
| N36 | N35 | N34 | N32 | 0.2° | 0.2° |
| N35 | N36 | C33 | H63 | 179.6° | 179.8° |
| O42 | C41 | C40 | H66 | 120.3° | 119.9° |
| O42 | C41 | C40 | H67 | 120.3° | 120.0° |
| O42 | C41 | C40 | N39 | 59.1° | 52.3° |
| C41 | O42 | C43 | C44 | 56.4° | 62.5° |
| O42 | C41 | C40 | H64 | 60.8° | 67.4° |
| O42 | C41 | C40 | H65 | 179.1° | 172.1° |
| O42 | C41 | H66 | H67 | 119.2° | 120.1° |
| C41 | O42 | C43 | H69 | 64.0° | 177.5° |
| C41 | O42 | C43 | H68 | 176.9° | 57.4° |
| C43 | O42 | C41 | C40 | 57.7° | 62.6° |
| O42 | C43 | C44 | H69 | 120.4° | 120.0° |
| O42 | C43 | C44 | H68 | 120.4° | 119.9° |
| O42 | C43 | C44 | N39 | 56.6° | 52.1° |
| C43 | O42 | C41 | H66 | 178.0° | 177.4° |
| C43 | O42 | C41 | H67 | 62.5° | 57.4° |
| O42 | C43 | H69 | H68 | 118.7° | 120.1° |
| O42 | C43 | C44 | H71 | 176.6° | 172.1° |
| O42 | C43 | C44 | H70 | 63.5° | 67.4° |
| C33 | N32 | N34 | N35 | 0.5° | 0.0° |
| C33 | N32 | N34 | C27 | 178.2° | 180.0° |
| C33 | N32 | C27 | C28 | 57.4° | 48.1° |
| C33 | N32 | C27 | C24 | 118.7° | 131.9° |
| C41 | C40 | N39 | H64 | 120.0° | 119.7° |
| C41 | C40 | N39 | H65 | 120.0° | 119.8° |
| C41 | C40 | N39 | C44 | 58.6° | 50.2° |
| C41 | C40 | N39 | C25 | 121.5° | 129.4° |
| C41 | C40 | H64 | H65 | 120.1° | 120.5° |
| C40 | C41 | H66 | H67 | 119.1° | 120.1° |
| C40 | N39 | C44 | C43 | 57.1° | 50.2° |
| C40 | N39 | C44 | C25 | 180.0° | 179.6° |
| C40 | N39 | C25 | C8 | 4.8° | 180.0° |
| C40 | N39 | C25 | O38 | 171.7° | 0.1° |
| N39 | C40 | H64 | H65 | 120.1° | 120.6° |
| N39 | C40 | C41 | H66 | 179.4° | 172.2° |
| N39 | C40 | C41 | H67 | 61.1° | 67.7° |
| C40 | N39 | C44 | H71 | 177.1° | 170.1° |
| C40 | N39 | C44 | H70 | 62.9° | 69.5° |
| N35 | N34 | N32 | C27 | 177.7° | 180.0° |
| C43 | C44 | N39 | H71 | 120.0° | 120.0° |
| C43 | C44 | N39 | H70 | 120.0° | 119.7° |
| C43 | C44 | N39 | C25 | 122.9° | 129.4° |
| C44 | C43 | H69 | H68 | 118.7° | 120.0° |
| C43 | C44 | H71 | H70 | 119.9° | 120.5° |
| C44 | N39 | C25 | C8 | 175.2° | 0.4° |
| C44 | N39 | C25 | O38 | 8.4° | 179.7° |
| C44 | N39 | C40 | H64 | 61.4° | 69.5° |
| C44 | N39 | C40 | H65 | 178.5° | 170.0° |
| N39 | C44 | C43 | H69 | 63.9° | 172.0° |
| N39 | C44 | C43 | H68 | 177.0° | 67.9° |
| N39 | C44 | H71 | H70 | 119.9° | 120.2° |
| N39 | C25 | C8 | O38 | 176.5° | 180.0° |
| N39 | C25 | C8 | C6 | 178.3° | 175.7° |
| N39 | C25 | C8 | H48 | 57.4° | 64.3° |
| N39 | C25 | C8 | H49 | 60.9° | 55.7° |
| C25 | N39 | C40 | H64 | 118.6° | 110.9° |
| C25 | N39 | C40 | H65 | 1.5° | 9.6° |
| C25 | N39 | C44 | H71 | 2.9° | 9.5° |
| C25 | N39 | C44 | H70 | 117.0° | 110.9° |
| N34 | N32 | C27 | C28 | 124.9° | 131.9° |
| N34 | N32 | C27 | C24 | 59.0° | 48.1° |
| N34 | N32 | C33 | H63 | 179.5° | 180.0° |
| N32 | C27 | C28 | C24 | 176.1° | 180.0° |
| N32 | C27 | C28 | C29 | 174.6° | 179.9° |
| N32 | C27 | C24 | C23 | 2.9° | 0.1° |
| N32 | C27 | C24 | C31 | 175.3° | 179.8° |
| C27 | N32 | C33 | H63 | 2.6° | 0.0° |
| N32 | C27 | C28 | H60 | 5.4° | 0.0° |
| CL9 | C3 | N2 | C4 | 179.4° | 179.9° |
| CL9 | C3 | N2 | C1 | 179.1° | 180.0° |
| CL9 | C3 | C4 | N5 | 179.8° | 180.0° |
| CL9 | C3 | C4 | C10 | 3.9° | 0.0° |
| C27 | C28 | C29 | H60 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.9° | 0.1° |
| C28 | C27 | C24 | C23 | 178.9° | 180.0° |
| C28 | C27 | C24 | C31 | 0.8° | 0.3° |
| C27 | C28 | C29 | H61 | 178.1° | 180.0° |
| C29 | C28 | C27 | C24 | 1.5° | 0.0° |
| C28 | C29 | C30 | H61 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 1.5° | 0.2° |
| C28 | C29 | C30 | CL3 | 175.9° | 180.0° |
| C27 | C24 | C23 | C31 | 178.2° | 179.7° |
| C27 | C24 | C23 | C21 | 124.3° | 173.3° |
| C27 | C24 | C31 | C30 | 0.4° | 0.5° |
| C27 | C24 | C23 | H56 | 55.7° | 6.6° |
| C24 | C27 | C28 | H60 | 178.5° | 180.0° |
| C27 | C24 | C31 | H62 | 179.6° | 179.8° |
| C25 | C8 | C6 | H48 | 120.9° | 120.0° |
| C25 | C8 | C6 | H49 | 120.9° | 120.0° |
| C25 | C8 | C6 | N7 | 170.5° | 65.6° |
| C25 | C8 | C6 | C1 | 63.5° | 174.4° |
| C25 | C8 | C6 | H46 | 53.8° | 54.5° |
| C25 | C8 | H48 | H49 | 117.2° | 119.9° |
| C6 | C8 | C25 | O38 | 5.3° | 4.2° |
| C8 | C6 | C1 | N2 | 44.6° | 54.7° |
| C8 | C6 | N7 | C1 | 126.3° | 120.0° |
| C8 | C6 | N7 | H46 | 116.2° | 120.1° |
| C8 | C6 | N7 | C20 | 154.9° | 156.8° |
| C8 | C6 | C1 | H46 | 117.0° | 120.0° |
| C8 | C6 | C1 | N5 | 131.8° | 125.0° |
| C8 | C6 | N7 | H47 | 25.1° | 23.2° |
| C6 | C8 | H48 | H49 | 117.2° | 120.0° |
| O38 | C25 | C8 | H48 | 126.2° | 115.8° |
| O38 | C25 | C8 | H49 | 115.6° | 124.3° |
| C3 | N2 | C1 | C6 | 175.9° | 179.7° |
| C3 | N2 | C1 | N5 | 1.0° | 0.0° |
| N2 | C3 | C4 | N5 | 0.5° | 0.0° |
| N2 | C3 | C4 | C10 | 175.4° | 179.9° |
| C1 | N2 | C3 | C4 | 0.3° | 0.0° |
| N2 | C1 | C6 | N7 | 80.7° | 174.7° |
| N2 | C1 | C6 | N5 | 176.4° | 179.7° |
| N2 | C1 | N5 | C4 | 1.3° | 0.0° |
| N2 | C1 | N5 | H45 | 178.7° | 180.0° |
| N2 | C1 | C6 | H46 | 161.6° | 65.3° |
| C29 | C30 | C31 | C24 | 0.8° | 0.5° |
| C29 | C30 | C31 | CL3 | 177.4° | 179.8° |
| C30 | C29 | C28 | H60 | 178.1° | 180.0° |
| C29 | C30 | C31 | H62 | 179.2° | 179.8° |
| C3 | C4 | N5 | C1 | 1.1° | 0.0° |
| C3 | C4 | N5 | C10 | 176.5° | 179.9° |
| C3 | C4 | C10 | C15 | 28.0° | 45.0° |
| C3 | C4 | C10 | C11 | 149.0° | 134.7° |
| C3 | C4 | N5 | H45 | 179.0° | 179.9° |
| C24 | C23 | C21 | H56 | 180.0° | 179.9° |
| C23 | C24 | C31 | C30 | 178.6° | 179.8° |
| C24 | C23 | C21 | C20 | 178.5° | 180.0° |
| C24 | C23 | C21 | H55 | 1.5° | 0.0° |
| C23 | C24 | C31 | H62 | 1.4° | 0.0° |
| C31 | C24 | C23 | C21 | 57.5° | 7.0° |
| C24 | C31 | C30 | H62 | 180.0° | 179.7° |
| C24 | C31 | C30 | CL3 | 176.6° | 179.7° |
| C31 | C24 | C23 | H56 | 122.5° | 173.1° |
| C23 | C21 | C20 | N7 | 0.4° | 180.0° |
| C23 | C21 | C20 | H55 | 180.0° | 180.0° |
| C23 | C21 | C20 | O22 | 178.7° | 0.1° |
| C6 | N7 | C20 | H47 | 180.0° | 180.0° |
| N7 | C6 | C1 | H46 | 117.7° | 120.0° |
| N7 | C6 | C1 | N5 | 103.0° | 5.0° |
| C6 | N7 | C20 | C21 | 177.9° | 174.9° |
| C6 | N7 | C20 | O22 | 3.8° | 5.0° |
| N7 | C6 | C8 | H48 | 68.6° | 54.4° |
| N7 | C6 | C8 | H49 | 49.6° | 174.4° |
| C20 | N7 | C6 | C1 | 78.8° | 83.2° |
| N7 | C20 | C21 | O22 | 178.3° | 179.9° |
| N7 | C20 | C21 | H55 | 179.6° | 0.0° |
| C20 | N7 | C6 | H46 | 38.7° | 36.7° |
| C6 | C1 | N5 | C4 | 175.5° | 179.7° |
| C6 | C1 | N5 | H45 | 4.5° | 0.2° |
| C1 | C6 | N7 | H47 | 101.2° | 96.8° |
| C1 | C6 | C8 | H48 | 57.5° | 65.6° |
| C1 | C6 | C8 | H49 | 175.7° | 54.4° |
| C1 | N5 | C4 | H45 | 180.0° | 179.9° |
| C1 | N5 | C4 | C10 | 175.5° | 179.9° |
| N5 | C1 | C6 | H46 | 14.8° | 115.0° |
| C31 | C30 | C29 | H61 | 178.5° | 179.7° |
| CL3 | C30 | C29 | H61 | 4.1° | 0.1° |
| CL3 | C30 | C31 | H62 | 3.4° | 0.0° |
| N5 | C4 | C10 | C15 | 156.7° | 135.1° |
| N5 | C4 | C10 | C11 | 26.3° | 45.2° |
| C4 | C10 | C15 | C11 | 177.1° | 179.8° |
| C4 | C10 | C15 | C14 | 175.5° | 180.0° |
| C4 | C10 | C11 | C12 | 177.6° | 179.7° |
| C4 | C10 | C15 | H53 | 4.5° | 0.3° |
| C4 | C10 | C11 | H50 | 2.4° | 0.2° |
| C10 | C4 | N5 | H45 | 4.5° | 0.1° |
| C20 | C21 | C23 | H56 | 1.5° | 0.1° |
| C21 | C20 | N7 | H47 | 2.1° | 5.0° |
| O22 | C20 | C21 | H55 | 1.3° | 179.9° |
| O22 | C20 | N7 | H47 | 176.2° | 175.1° |
| C10 | C15 | C14 | H53 | 180.0° | 179.7° |
| C10 | C15 | C14 | C13 | 1.9° | 0.0° |
| C15 | C10 | C11 | C12 | 0.5° | 0.5° |
| C15 | C10 | C11 | H50 | 179.5° | 180.0° |
| C10 | C15 | C14 | H52 | 178.1° | 180.0° |
| C14 | C15 | C10 | C11 | 1.6° | 0.3° |
| C15 | C14 | C13 | H52 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | N16 | 177.4° | 179.7° |
| C10 | C11 | C12 | H50 | 180.0° | 179.5° |
| C10 | C11 | C12 | C13 | 2.4° | 0.5° |
| C11 | C10 | C15 | H53 | 178.4° | 180.0° |
| C10 | C11 | C12 | H51 | 177.6° | 179.5° |
| C14 | C13 | C12 | C11 | 2.2° | 0.2° |
| C14 | C13 | C12 | N16 | 177.6° | 179.7° |
| C14 | C13 | N16 | C17 | 2.9° | 36.0° |
| C13 | C14 | C15 | H53 | 178.1° | 179.7° |
| C14 | C13 | C12 | H51 | 177.8° | 179.7° |
| C14 | C13 | N16 | H54 | 177.0° | 144.1° |
| C11 | C12 | C13 | H51 | 180.0° | 180.0° |
| C11 | C12 | C13 | N16 | 175.5° | 180.0° |
| C12 | C13 | N16 | C17 | 179.6° | 144.3° |
| C13 | C12 | C11 | H50 | 177.6° | 180.0° |
| C12 | C13 | C14 | H52 | 179.9° | 180.0° |
| C12 | C13 | N16 | H54 | 0.4° | 35.6° |
| C13 | N16 | C17 | O18 | 3.4° | 4.8° |
| C13 | N16 | C17 | H54 | 180.0° | 179.9° |
| C13 | N16 | C17 | O19 | 173.9° | 175.1° |
| N16 | C13 | C12 | H51 | 4.5° | 0.0° |
| N16 | C13 | C14 | H52 | 2.6° | 0.3° |
| O18 | C17 | N16 | O19 | 177.3° | 180.0° |
| O18 | C17 | O19 | C26 | 2.2° | 0.0° |
| O18 | C17 | N16 | H54 | 176.6° | 175.3° |
| N16 | C17 | O19 | C26 | 175.1° | 180.0° |
| O19 | C17 | N16 | H54 | 6.2° | 4.8° |
| C17 | O19 | C26 | H58 | 180.0° | 60.0° |
| C17 | O19 | C26 | H59 | 60.0° | 60.0° |
| C17 | O19 | C26 | H57 | 60.0° | 179.9° |
| O19 | C26 | H58 | H59 | 120.0° | 120.0° |
| O19 | C26 | H58 | H57 | 120.0° | 120.0° |
| O19 | C26 | H59 | H57 | 120.0° | 120.0° |
| H53 | C15 | C14 | H52 | 1.9° | 0.3° |
| H55 | C21 | C23 | H56 | 178.5° | 179.9° |
| H50 | C11 | C12 | H51 | 2.4° | 0.0° |
| H46 | C6 | N7 | H47 | 141.3° | 143.2° |
| H46 | C6 | C8 | H48 | 174.7° | 174.5° |
| H46 | C6 | C8 | H49 | 67.1° | 65.5° |
| H58 | C26 | H59 | H57 | 120.0° | 120.1° |
| H60 | C28 | C29 | H61 | 1.9° | 0.0° |
| H64 | C40 | C41 | H66 | 59.5° | 52.5° |
| H64 | C40 | C41 | H67 | 178.9° | 172.6° |
| H65 | C40 | C41 | H66 | 60.6° | 68.0° |
| H65 | C40 | C41 | H67 | 58.8° | 52.1° |
| H69 | C43 | C44 | H71 | 56.1° | 67.9° |
| H69 | C43 | C44 | H70 | 176.1° | 52.6° |
| H68 | C43 | C44 | H71 | 63.0° | 52.2° |
| H68 | C43 | C44 | H70 | 56.9° | 172.7° |
