4CE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N35 | C34 | doub | 1.31Å | 1.30Å | Aromatic |
| N35 | N36 | sing | 1.28Å | 1.35Å | Aromatic |
| C34 | N32 | sing | 1.35Å | 1.34Å | Aromatic |
| C46 | N4 | sing | 1.47Å | 1.44Å | |
| N36 | N37 | doub | 1.29Å | 1.30Å | Aromatic |
| C3 | N4 | sing | 1.47Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| N32 | N37 | sing | 1.41Å | 1.36Å | Aromatic |
| N32 | C31 | sing | 1.40Å | 1.43Å | |
| N4 | C5 | sing | 1.47Å | 1.45Å | |
| C2 | N1 | sing | 1.47Å | 1.49Å | |
| C26 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C9 | sing | 1.74Å | 1.71Å | |
| C31 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| N8 | C9 | sing | 1.37Å | 1.35Å | Aromatic |
| N8 | C7 | sing | 1.36Å | 1.35Å | Aromatic |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C43 | C25 | sing | 1.53Å | 1.53Å | |
| N1 | C6 | sing | 1.47Å | 1.48Å | |
| N1 | C44 | sing | 1.35Å | 1.36Å | |
| C9 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| N42 | C25 | sing | 1.47Å | 1.44Å | |
| N42 | C40 | sing | 1.35Å | 1.34Å | |
| C39 | C38 | doub | 1.35Å | 1.32Å | |
| C39 | C40 | sing | 1.46Å | 1.49Å | |
| C30 | C38 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | CL2 | sing | 1.74Å | 1.75Å | |
| C44 | O45 | doub | 1.21Å | 1.23Å | |
| C25 | C7 | sing | 1.51Å | 1.49Å | |
| C7 | N11 | doub | 1.30Å | 1.31Å | Aromatic |
| C40 | O41 | doub | 1.22Å | 1.25Å | |
| C10 | N11 | sing | 1.35Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.48Å | |
| O24 | C19 | sing | 1.35Å | 1.33Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | doub | 1.37Å | 1.41Å | |
| C14 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.44Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N22 | sing | 1.38Å | 1.40Å | |
| C21 | N22 | sing | 1.34Å | 1.37Å | |
| C21 | O23 | doub | 1.22Å | 1.24Å | |
| C13 | H56 | sing | 1.08Å | 1.08Å | |
| C17 | H58 | sing | 1.08Å | 1.08Å | |
| C16 | H57 | sing | 1.08Å | 1.08Å | |
| C20 | H59 | sing | 1.08Å | 1.08Å | |
| C34 | H66 | sing | 1.08Å | 1.08Å | |
| C27 | H64 | sing | 1.08Å | 1.08Å | |
| C2 | H48 | sing | 1.09Å | 1.10Å | |
| C2 | H47 | sing | 1.09Å | 1.10Å | |
| C3 | H50 | sing | 1.09Å | 1.10Å | |
| C3 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H54 | sing | 1.09Å | 1.10Å | |
| C6 | H53 | sing | 1.09Å | 1.10Å | |
| N8 | H55 | sing | 0.97Å | 1.00Å | |
| N22 | H60 | sing | 0.97Å | 1.00Å | |
| O24 | H61 | sing | 0.97Å | 0.95Å | |
| C25 | H62 | sing | 1.09Å | 1.10Å | |
| C26 | H63 | sing | 1.08Å | 1.08Å | |
| C29 | H65 | sing | 1.08Å | 1.08Å | |
| C38 | H67 | sing | 1.08Å | 1.08Å | |
| C39 | H68 | sing | 1.08Å | 1.08Å | |
| N42 | H69 | sing | 0.97Å | 1.00Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | H70 | sing | 1.09Å | 1.10Å | |
| C46 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | H74 | sing | 1.09Å | 1.10Å | |
| C46 | H72 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N35 | N36 | 105.3° | 110.7° |
| N35 | C34 | N32 | 110.2° | 107.3° |
| N35 | C34 | H66 | 124.9° | 126.4° |
| N35 | N36 | N37 | 111.2° | 110.2° |
| C34 | N32 | N37 | 107.3° | 105.2° |
| C34 | N32 | C31 | 131.5° | 127.4° |
| N32 | C34 | H66 | 124.9° | 126.3° |
| C46 | N4 | C3 | 110.8° | 111.0° |
| C46 | N4 | C5 | 109.8° | 111.0° |
| N4 | C46 | H73 | 109.5° | 109.5° |
| N4 | C46 | H74 | 109.4° | 109.5° |
| N4 | C46 | H72 | 109.4° | 109.5° |
| N36 | N37 | N32 | 106.0° | 106.7° |
| N4 | C3 | C2 | 110.7° | 109.3° |
| C3 | N4 | C5 | 109.3° | 111.3° |
| N4 | C3 | H50 | 109.2° | 109.5° |
| N4 | C3 | H49 | 109.2° | 109.5° |
| C3 | C2 | N1 | 111.6° | 108.5° |
| C3 | C2 | H48 | 108.9° | 109.6° |
| C3 | C2 | H47 | 109.0° | 109.8° |
| C2 | C3 | H50 | 109.2° | 109.5° |
| C2 | C3 | H49 | 109.2° | 109.5° |
| N37 | N32 | C31 | 120.0° | 127.4° |
| N32 | C31 | C26 | 118.4° | 120.2° |
| N32 | C31 | C30 | 121.0° | 120.1° |
| N4 | C5 | C6 | 110.4° | 109.3° |
| N4 | C5 | H51 | 109.3° | 109.5° |
| N4 | C5 | H52 | 109.2° | 109.5° |
| C2 | N1 | C6 | 112.4° | 118.3° |
| C2 | N1 | C44 | 127.2° | 120.9° |
| N1 | C2 | H48 | 108.9° | 109.6° |
| N1 | C2 | H47 | 108.9° | 109.6° |
| C31 | C26 | C27 | 120.9° | 120.1° |
| C26 | C31 | C30 | 119.1° | 119.7° |
| C31 | C26 | H63 | 119.5° | 119.9° |
| C26 | C27 | C28 | 119.2° | 120.4° |
| C26 | C27 | H64 | 120.4° | 119.8° |
| C27 | C26 | H63 | 119.5° | 119.9° |
| CL1 | C9 | N8 | 120.6° | 126.7° |
| CL1 | C9 | C10 | 132.0° | 126.6° |
| C31 | C30 | C38 | 125.5° | 120.2° |
| C31 | C30 | C29 | 118.8° | 119.6° |
| C27 | C28 | C29 | 121.2° | 120.3° |
| C27 | C28 | CL2 | 119.6° | 119.9° |
| C28 | C27 | H64 | 120.4° | 119.8° |
| C5 | C6 | N1 | 109.0° | 108.5° |
| C6 | C5 | H51 | 109.2° | 109.5° |
| C6 | C5 | H52 | 109.2° | 109.5° |
| C5 | C6 | H54 | 109.6° | 109.4° |
| C5 | C6 | H53 | 109.6° | 109.9° |
| C9 | N8 | C7 | 106.3° | 107.4° |
| N8 | C9 | C10 | 107.4° | 106.7° |
| C9 | N8 | H55 | 126.9° | 126.3° |
| N8 | C7 | C25 | 123.9° | 125.6° |
| N8 | C7 | N11 | 113.1° | 108.9° |
| C7 | N8 | H55 | 126.9° | 126.3° |
| C44 | C43 | C25 | 113.5° | 109.4° |
| C43 | C44 | N1 | 118.4° | 120.0° |
| C43 | C44 | O45 | 121.5° | 120.0° |
| C44 | C43 | H71 | 108.4° | 109.5° |
| C44 | C43 | H70 | 108.4° | 109.5° |
| C43 | C25 | N42 | 110.4° | 109.5° |
| C43 | C25 | C7 | 110.6° | 109.5° |
| C43 | C25 | H62 | 108.7° | 109.5° |
| C25 | C43 | H71 | 108.5° | 109.5° |
| C25 | C43 | H70 | 108.4° | 109.4° |
| C6 | N1 | C44 | 120.3° | 120.9° |
| N1 | C6 | H54 | 109.6° | 109.7° |
| N1 | C6 | H53 | 109.6° | 109.7° |
| N1 | C44 | O45 | 120.0° | 120.0° |
| C9 | C10 | N11 | 107.4° | 107.8° |
| C9 | C10 | C12 | 134.7° | 126.1° |
| C25 | N42 | C40 | 121.0° | 120.0° |
| N42 | C25 | C7 | 108.0° | 109.5° |
| N42 | C25 | H62 | 109.9° | 109.5° |
| C25 | N42 | H69 | 119.5° | 120.0° |
| N42 | C40 | C39 | 114.0° | 120.0° |
| N42 | C40 | O41 | 122.2° | 120.0° |
| C40 | N42 | H69 | 119.5° | 120.0° |
| C38 | C39 | C40 | 122.9° | 120.0° |
| C39 | C38 | C30 | 127.4° | 120.0° |
| C39 | C38 | H67 | 116.3° | 120.0° |
| C38 | C39 | H68 | 118.6° | 120.0° |
| C39 | C40 | O41 | 123.9° | 120.0° |
| C40 | C39 | H68 | 118.5° | 120.0° |
| C38 | C30 | C29 | 115.5° | 120.2° |
| C30 | C38 | H67 | 116.3° | 120.0° |
| C30 | C29 | C28 | 120.5° | 119.9° |
| C30 | C29 | H65 | 119.8° | 120.1° |
| C29 | C28 | CL2 | 119.1° | 119.9° |
| C28 | C29 | H65 | 119.7° | 120.1° |
| C25 | C7 | N11 | 123.0° | 125.6° |
| C7 | C25 | H62 | 109.3° | 109.5° |
| C7 | N11 | C10 | 105.8° | 109.2° |
| N11 | C10 | C12 | 117.8° | 126.1° |
| C10 | C12 | C13 | 121.4° | 119.9° |
| C10 | C12 | C17 | 119.2° | 119.9° |
| O24 | C19 | C14 | 116.6° | 120.8° |
| O24 | C19 | C20 | 123.1° | 120.8° |
| C19 | O24 | H61 | 109.5° | 114.1° |
| C12 | C13 | C14 | 120.5° | 119.6° |
| C13 | C12 | C17 | 119.3° | 120.1° |
| C12 | C13 | H56 | 119.8° | 120.2° |
| C13 | C14 | C19 | 123.5° | 121.1° |
| C13 | C14 | C15 | 119.2° | 120.0° |
| C14 | C13 | H56 | 119.8° | 120.2° |
| C12 | C17 | C16 | 121.0° | 120.6° |
| C12 | C17 | H58 | 119.5° | 119.7° |
| C14 | C19 | C20 | 120.3° | 118.4° |
| C19 | C14 | C15 | 117.3° | 118.9° |
| C19 | C20 | C21 | 121.2° | 120.1° |
| C19 | C20 | H59 | 119.4° | 119.9° |
| C14 | C15 | C16 | 119.6° | 119.7° |
| C14 | C15 | N22 | 119.8° | 119.5° |
| C17 | C16 | C15 | 120.5° | 120.0° |
| C16 | C17 | H58 | 119.5° | 119.7° |
| C17 | C16 | H57 | 119.8° | 120.0° |
| C20 | C21 | N22 | 116.2° | 121.9° |
| C20 | C21 | O23 | 123.6° | 119.1° |
| C21 | C20 | H59 | 119.4° | 120.0° |
| C16 | C15 | N22 | 120.5° | 120.8° |
| C15 | C16 | H57 | 119.8° | 120.0° |
| C15 | N22 | C21 | 125.2° | 121.2° |
| C15 | N22 | H60 | 117.4° | 119.4° |
| N22 | C21 | O23 | 120.0° | 119.1° |
| C21 | N22 | H60 | 117.4° | 119.4° |
| H48 | C2 | H47 | 109.5° | 109.6° |
| H50 | C3 | H49 | 109.5° | 109.6° |
| H51 | C5 | H52 | 109.4° | 109.5° |
| H54 | C6 | H53 | 109.5° | 109.8° |
| H71 | C43 | H70 | 109.5° | 109.5° |
| H73 | C46 | H74 | 109.5° | 109.4° |
| H73 | C46 | H72 | 109.5° | 109.5° |
| H74 | C46 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N35 | C34 | N32 | H66 | 180.0° | 179.6° |
| C34 | N35 | N36 | N37 | 0.1° | 0.3° |
| N35 | C34 | N32 | N37 | 0.2° | 0.3° |
| N35 | C34 | N32 | C31 | 167.4° | 179.7° |
| N36 | N35 | C34 | N32 | 0.2° | 0.1° |
| N35 | N36 | N37 | N32 | 0.0° | 0.4° |
| N36 | N35 | C34 | H66 | 179.8° | 179.7° |
| C34 | N32 | N37 | N36 | 0.1° | 0.5° |
| C34 | N32 | N37 | C31 | 169.0° | 180.0° |
| C34 | N32 | C31 | C26 | 22.1° | 48.1° |
| C34 | N32 | C31 | C30 | 143.7° | 131.5° |
| C46 | N4 | C3 | C5 | 121.1° | 124.1° |
| C46 | N4 | C3 | C2 | 179.9° | 172.7° |
| C46 | N4 | C5 | C6 | 173.5° | 172.7° |
| C46 | N4 | C3 | H50 | 59.7° | 52.8° |
| C46 | N4 | C3 | H49 | 59.9° | 67.3° |
| C46 | N4 | C5 | H51 | 53.4° | 52.8° |
| C46 | N4 | C5 | H52 | 66.3° | 67.3° |
| N4 | C46 | H73 | H74 | 120.0° | 120.0° |
| N4 | C46 | H73 | H72 | 120.0° | 120.0° |
| N4 | C46 | H74 | H72 | 120.0° | 120.0° |
| N36 | N37 | N32 | C31 | 169.1° | 179.6° |
| N4 | C3 | C2 | H50 | 120.2° | 119.9° |
| N4 | C3 | C2 | H49 | 120.2° | 120.0° |
| N4 | C3 | C2 | N1 | 51.6° | 53.8° |
| C3 | N4 | C5 | C6 | 64.8° | 63.2° |
| N4 | C3 | C2 | H48 | 171.9° | 65.9° |
| N4 | C3 | C2 | H47 | 68.7° | 173.6° |
| N4 | C3 | H50 | H49 | 119.4° | 120.1° |
| C3 | N4 | C5 | H51 | 175.1° | 176.9° |
| C3 | N4 | C5 | H52 | 55.4° | 56.8° |
| C3 | N4 | C46 | H73 | 180.0° | 60.0° |
| C3 | N4 | C46 | H74 | 60.0° | 180.0° |
| C3 | N4 | C46 | H72 | 60.0° | 60.0° |
| C2 | C3 | N4 | C5 | 58.8° | 63.2° |
| C3 | C2 | N1 | H48 | 120.3° | 119.7° |
| C3 | C2 | N1 | H47 | 120.3° | 119.9° |
| C3 | C2 | N1 | C6 | 49.8° | 51.2° |
| C3 | C2 | N1 | C44 | 125.3° | 128.5° |
| C3 | C2 | H48 | H47 | 119.0° | 120.6° |
| C2 | C3 | H50 | H49 | 119.5° | 120.1° |
| N37 | N32 | C31 | C26 | 143.8° | 131.9° |
| N37 | N32 | C31 | C30 | 50.4° | 48.6° |
| N37 | N32 | C34 | H66 | 179.8° | 180.0° |
| N32 | C31 | C26 | C30 | 166.0° | 179.6° |
| N32 | C31 | C26 | C27 | 165.3° | 180.0° |
| N32 | C31 | C30 | C38 | 23.1° | 0.2° |
| N32 | C31 | C30 | C29 | 161.2° | 179.8° |
| C31 | N32 | C34 | H66 | 12.6° | 0.1° |
| N32 | C31 | C26 | H63 | 14.7° | 0.1° |
| N4 | C5 | C6 | H51 | 120.2° | 119.9° |
| N4 | C5 | C6 | H52 | 120.2° | 120.0° |
| N4 | C5 | C6 | N1 | 61.8° | 53.8° |
| C5 | N4 | C3 | H50 | 61.4° | 176.9° |
| C5 | N4 | C3 | H49 | 179.0° | 56.8° |
| N4 | C5 | H51 | H52 | 119.6° | 120.1° |
| N4 | C5 | C6 | H54 | 58.2° | 173.4° |
| N4 | C5 | C6 | H53 | 178.3° | 66.0° |
| C5 | N4 | C46 | H73 | 59.2° | 64.3° |
| C5 | N4 | C46 | H74 | 179.2° | 55.7° |
| C5 | N4 | C46 | H72 | 60.8° | 175.7° |
| C2 | N1 | C6 | C5 | 54.1° | 51.2° |
| C2 | N1 | C44 | C43 | 8.6° | 0.3° |
| C2 | N1 | C6 | C44 | 175.5° | 179.8° |
| C2 | N1 | C44 | O45 | 167.4° | 179.7° |
| N1 | C2 | H48 | H47 | 119.0° | 120.4° |
| N1 | C2 | C3 | H50 | 68.6° | 173.7° |
| N1 | C2 | C3 | H49 | 171.8° | 66.1° |
| C2 | N1 | C6 | H54 | 65.8° | 170.6° |
| C2 | N1 | C6 | H53 | 174.0° | 68.8° |
| C31 | C26 | C27 | H63 | 180.0° | 179.9° |
| C31 | C26 | C27 | C28 | 1.7° | 0.0° |
| C26 | C31 | C30 | C38 | 171.3° | 179.8° |
| C26 | C31 | C30 | C29 | 4.4° | 0.6° |
| C31 | C26 | C27 | H64 | 178.3° | 179.8° |
| C27 | C26 | C31 | C30 | 0.7° | 0.4° |
| C26 | C27 | C28 | H64 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.3° | 0.3° |
| C26 | C27 | C28 | CL2 | 178.4° | 179.7° |
| CL1 | C9 | N8 | C10 | 179.1° | 180.0° |
| CL1 | C9 | N8 | C7 | 178.9° | 180.0° |
| CL1 | C9 | C10 | N11 | 178.3° | 180.0° |
| CL1 | C9 | C10 | C12 | 4.8° | 0.0° |
| CL1 | C9 | N8 | H55 | 1.1° | 0.0° |
| C31 | C30 | C38 | C39 | 66.4° | 175.1° |
| C31 | C30 | C38 | C29 | 175.8° | 179.6° |
| C31 | C30 | C29 | C28 | 5.9° | 0.4° |
| C30 | C31 | C26 | H63 | 179.3° | 179.5° |
| C31 | C30 | C29 | H65 | 174.1° | 179.5° |
| C31 | C30 | C38 | H67 | 113.6° | 5.0° |
| C27 | C28 | C29 | C30 | 3.5° | 0.0° |
| C27 | C28 | C29 | CL2 | 178.1° | 180.0° |
| C28 | C27 | C26 | H63 | 178.3° | 180.0° |
| C27 | C28 | C29 | H65 | 176.5° | 179.9° |
| C5 | C6 | N1 | H54 | 119.9° | 119.4° |
| C5 | C6 | N1 | H53 | 119.9° | 120.0° |
| C5 | C6 | N1 | C44 | 121.4° | 128.5° |
| C6 | C5 | H51 | H52 | 119.5° | 120.1° |
| C5 | C6 | H54 | H53 | 120.2° | 120.6° |
| C9 | N8 | C7 | H55 | 180.0° | 180.0° |
| C9 | N8 | C7 | C25 | 177.0° | 179.8° |
| C9 | N8 | C7 | N11 | 0.4° | 0.0° |
| N8 | C9 | C10 | N11 | 0.7° | 0.0° |
| N8 | C9 | C10 | C12 | 176.3° | 180.0° |
| N8 | C7 | C25 | C43 | 65.0° | 125.3° |
| C7 | N8 | C9 | C10 | 0.2° | 0.0° |
| N8 | C7 | C25 | N42 | 55.9° | 5.3° |
| N8 | C7 | C25 | N11 | 177.2° | 179.7° |
| N8 | C7 | N11 | C10 | 0.8° | 0.0° |
| N8 | C7 | C25 | H62 | 175.4° | 114.8° |
| C44 | C43 | C25 | H71 | 120.6° | 120.1° |
| C44 | C43 | C25 | H70 | 120.6° | 120.0° |
| C43 | C44 | N1 | C6 | 166.1° | 179.9° |
| C43 | C44 | N1 | O45 | 176.0° | 179.9° |
| C44 | C43 | C25 | N42 | 162.7° | 65.7° |
| C44 | C43 | C25 | C7 | 77.9° | 174.3° |
| C44 | C43 | C25 | H62 | 42.1° | 54.3° |
| C44 | C43 | H71 | H70 | 118.1° | 120.1° |
| C25 | C43 | C44 | N1 | 171.9° | 175.9° |
| C43 | C25 | N42 | C7 | 121.0° | 120.0° |
| C43 | C25 | N42 | H62 | 119.9° | 120.0° |
| C43 | C25 | N42 | C40 | 145.0° | 151.5° |
| C25 | C43 | C44 | O45 | 12.2° | 4.2° |
| C43 | C25 | C7 | H62 | 119.6° | 120.0° |
| C43 | C25 | C7 | N11 | 112.2° | 55.0° |
| C43 | C25 | N42 | H69 | 35.0° | 28.4° |
| C25 | C43 | H71 | H70 | 118.2° | 120.0° |
| C6 | N1 | C44 | O45 | 17.9° | 0.0° |
| C6 | N1 | C2 | H48 | 170.1° | 68.5° |
| C6 | N1 | C2 | H47 | 70.5° | 171.2° |
| N1 | C6 | C5 | H51 | 178.1° | 173.8° |
| N1 | C6 | C5 | H52 | 58.4° | 66.1° |
| N1 | C6 | H54 | H53 | 120.2° | 120.5° |
| C44 | N1 | C2 | H48 | 5.0° | 111.8° |
| C44 | N1 | C2 | H47 | 114.4° | 8.6° |
| C44 | N1 | C6 | H54 | 118.7° | 9.2° |
| C44 | N1 | C6 | H53 | 1.5° | 111.5° |
| N1 | C44 | C43 | H71 | 51.3° | 64.1° |
| N1 | C44 | C43 | H70 | 67.6° | 56.0° |
| C9 | C10 | N11 | C7 | 0.9° | 0.0° |
| C9 | C10 | N11 | C12 | 177.5° | 180.0° |
| C9 | C10 | C12 | C13 | 1.1° | 145.0° |
| C9 | C10 | C12 | C17 | 174.9° | 35.1° |
| C10 | C9 | N8 | H55 | 179.8° | 180.0° |
| C25 | N42 | C40 | H69 | 180.0° | 180.0° |
| C25 | N42 | C40 | C39 | 169.1° | 175.2° |
| N42 | C25 | C7 | H62 | 119.6° | 120.0° |
| N42 | C25 | C7 | N11 | 127.0° | 175.0° |
| C25 | N42 | C40 | O41 | 10.1° | 4.8° |
| N42 | C25 | C43 | H71 | 76.7° | 54.3° |
| N42 | C25 | C43 | H70 | 42.1° | 174.3° |
| N42 | C40 | C39 | C38 | 179.5° | 180.0° |
| N42 | C40 | C39 | O41 | 179.2° | 180.0° |
| C40 | N42 | C25 | C7 | 94.1° | 88.5° |
| C40 | N42 | C25 | H62 | 25.1° | 31.5° |
| N42 | C40 | C39 | H68 | 0.5° | 0.0° |
| C38 | C39 | C40 | H68 | 180.0° | 179.9° |
| C39 | C38 | C30 | H67 | 180.0° | 179.9° |
| C39 | C38 | C30 | C29 | 117.8° | 5.3° |
| C38 | C39 | C40 | O41 | 0.3° | 0.0° |
| C40 | C39 | C38 | C30 | 171.6° | 180.0° |
| C40 | C39 | C38 | H67 | 8.4° | 0.1° |
| C39 | C40 | N42 | H69 | 10.9° | 4.7° |
| C38 | C30 | C29 | C28 | 170.3° | 180.0° |
| C38 | C30 | C29 | H65 | 9.8° | 0.1° |
| C30 | C38 | C39 | H68 | 8.4° | 0.1° |
| C30 | C29 | C28 | H65 | 180.0° | 179.9° |
| C30 | C29 | C28 | CL2 | 174.5° | 180.0° |
| C29 | C30 | C38 | H67 | 62.2° | 174.6° |
| C29 | C28 | C27 | H64 | 179.7° | 180.0° |
| CL2 | C28 | C27 | H64 | 1.6° | 0.0° |
| CL2 | C28 | C29 | H65 | 5.5° | 0.1° |
| O45 | C44 | C43 | H71 | 132.8° | 115.8° |
| O45 | C44 | C43 | H70 | 108.4° | 124.1° |
| C25 | C7 | N11 | C10 | 176.7° | 179.7° |
| C25 | C7 | N8 | H55 | 3.0° | 0.3° |
| C7 | C25 | N42 | H69 | 86.0° | 91.5° |
| C7 | C25 | C43 | H71 | 42.7° | 65.6° |
| C7 | C25 | C43 | H70 | 161.5° | 54.4° |
| C7 | N11 | C10 | C12 | 176.7° | 180.0° |
| N11 | C7 | N8 | H55 | 179.6° | 180.0° |
| N11 | C7 | C25 | H62 | 7.4° | 65.0° |
| O41 | C40 | C39 | H68 | 179.7° | 179.9° |
| O41 | C40 | N42 | H69 | 169.9° | 175.2° |
| N11 | C10 | C12 | C13 | 177.8° | 35.0° |
| N11 | C10 | C12 | C17 | 1.8° | 144.9° |
| C10 | C12 | C13 | C17 | 176.0° | 179.9° |
| C10 | C12 | C13 | C14 | 174.1° | 180.0° |
| C10 | C12 | C17 | C16 | 174.3° | 179.9° |
| C10 | C12 | C13 | H56 | 5.9° | 0.4° |
| C10 | C12 | C17 | H58 | 5.7° | 0.0° |
| O24 | C19 | C14 | C13 | 0.1° | 0.0° |
| O24 | C19 | C14 | C20 | 177.0° | 180.0° |
| O24 | C19 | C14 | C15 | 177.0° | 180.0° |
| O24 | C19 | C20 | C21 | 175.9° | 179.9° |
| O24 | C19 | C20 | H59 | 4.1° | 0.1° |
| C12 | C13 | C14 | H56 | 180.0° | 179.6° |
| C12 | C13 | C14 | C19 | 177.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C13 | C12 | C17 | C16 | 1.8° | 0.0° |
| C13 | C12 | C17 | H58 | 178.2° | 179.9° |
| C14 | C13 | C12 | C17 | 1.9° | 0.1° |
| C13 | C14 | C19 | C15 | 177.1° | 180.0° |
| C13 | C14 | C19 | C20 | 177.1° | 180.0° |
| C13 | C14 | C15 | C16 | 2.1° | 0.0° |
| C13 | C14 | C15 | N22 | 177.9° | 179.9° |
| C12 | C17 | C16 | H58 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.3° | 0.1° |
| C17 | C12 | C13 | H56 | 178.1° | 179.7° |
| C12 | C17 | C16 | H57 | 179.8° | 180.0° |
| C14 | C19 | C20 | C21 | 0.9° | 0.0° |
| C19 | C14 | C15 | C16 | 175.1° | 180.0° |
| C19 | C14 | C15 | N22 | 0.7° | 0.1° |
| C19 | C14 | C13 | H56 | 3.0° | 0.4° |
| C14 | C19 | C20 | H59 | 179.1° | 180.0° |
| C14 | C19 | O24 | H61 | 180.0° | 180.0° |
| C20 | C19 | C14 | C15 | 0.0° | 0.0° |
| C19 | C20 | C21 | H59 | 180.0° | 180.0° |
| C19 | C20 | C21 | N22 | 2.4° | 0.0° |
| C19 | C20 | C21 | O23 | 172.5° | 180.0° |
| C20 | C19 | O24 | H61 | 3.1° | 0.0° |
| C14 | C15 | C16 | C17 | 2.2° | 0.1° |
| C14 | C15 | C16 | N22 | 175.8° | 179.9° |
| C14 | C15 | N22 | C21 | 2.4° | 0.1° |
| C15 | C14 | C13 | H56 | 179.9° | 179.7° |
| C14 | C15 | C16 | H57 | 177.8° | 180.0° |
| C14 | C15 | N22 | H60 | 177.5° | 180.0° |
| C17 | C16 | C15 | H57 | 180.0° | 180.0° |
| C17 | C16 | C15 | N22 | 178.0° | 180.0° |
| C20 | C21 | N22 | C15 | 3.2° | 0.1° |
| C20 | C21 | N22 | O23 | 175.1° | 179.9° |
| C20 | C21 | N22 | H60 | 176.8° | 180.0° |
| C16 | C15 | N22 | C21 | 173.3° | 180.0° |
| C15 | C16 | C17 | H58 | 179.7° | 180.0° |
| C16 | C15 | N22 | H60 | 6.7° | 0.1° |
| C15 | N22 | C21 | H60 | 180.0° | 179.9° |
| C15 | N22 | C21 | O23 | 171.8° | 179.9° |
| N22 | C15 | C16 | H57 | 2.0° | 0.1° |
| N22 | C21 | C20 | H59 | 177.6° | 180.0° |
| O23 | C21 | C20 | H59 | 7.5° | 0.0° |
| O23 | C21 | N22 | H60 | 8.2° | 0.0° |
| H58 | C17 | C16 | H57 | 0.2° | 0.0° |
| H64 | C27 | C26 | H63 | 1.7° | 0.3° |
| H48 | C2 | C3 | H50 | 51.7° | 54.1° |
| H48 | C2 | C3 | H49 | 67.9° | 174.2° |
| H47 | C2 | C3 | H50 | 171.1° | 66.4° |
| H47 | C2 | C3 | H49 | 51.5° | 53.7° |
| H51 | C5 | C6 | H54 | 62.0° | 66.6° |
| H51 | C5 | C6 | H53 | 58.2° | 53.9° |
| H52 | C5 | C6 | H54 | 178.4° | 53.4° |
| H52 | C5 | C6 | H53 | 61.5° | 174.0° |
| H62 | C25 | N42 | H69 | 154.9° | 148.4° |
| H62 | C25 | C43 | H71 | 162.7° | 174.4° |
| H62 | C25 | C43 | H70 | 78.5° | 65.6° |
| H67 | C38 | C39 | H68 | 171.6° | 180.0° |
| H73 | C46 | H74 | H72 | 120.0° | 120.0° |
