7DL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C10 | doub | 1.31Å | 1.31Å | Aromatic |
| N11 | N12 | sing | 1.28Å | 1.36Å | Aromatic |
| C10 | N9 | sing | 1.35Å | 1.34Å | Aromatic |
| N12 | N13 | doub | 1.29Å | 1.30Å | Aromatic |
| N9 | N13 | sing | 1.41Å | 1.35Å | Aromatic |
| N9 | C8 | sing | 1.40Å | 1.43Å | |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| CL2 | C29 | sing | 1.74Å | 1.71Å | |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| N28 | C29 | sing | 1.37Å | 1.40Å | Aromatic |
| N28 | C20 | sing | 1.35Å | 1.36Å | Aromatic |
| C21 | C33 | sing | 1.53Å | 1.56Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C14 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | doub | 1.35Å | 1.32Å | |
| C29 | C30 | doub | 1.36Å | 1.35Å | Aromatic |
| N18 | C19 | sing | 1.46Å | 1.46Å | |
| N18 | C16 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.74Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | N31 | doub | 1.30Å | 1.32Å | Aromatic |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.46Å | 1.48Å | |
| C37 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | N31 | sing | 1.35Å | 1.38Å | Aromatic |
| C30 | C22 | sing | 1.48Å | 1.48Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C16 | O17 | doub | 1.22Å | 1.21Å | |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C27 | sing | 1.50Å | 1.52Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | N38 | sing | 1.40Å | 1.42Å | |
| O41 | C39 | doub | 1.22Å | 1.21Å | |
| N38 | C39 | sing | 1.35Å | 1.36Å | |
| C39 | O40 | sing | 1.35Å | 1.34Å | |
| O40 | C42 | sing | 1.45Å | 1.45Å | |
| C15 | H48 | sing | 1.08Å | 1.08Å | |
| C19 | H50 | sing | 1.09Å | 1.10Å | |
| C21 | H51 | sing | 1.09Å | 1.10Å | |
| C21 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.08Å | 1.08Å | |
| C24 | H54 | sing | 1.08Å | 1.08Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.08Å | 1.08Å | |
| C4 | H44 | sing | 1.08Å | 1.08Å | |
| C6 | H45 | sing | 1.08Å | 1.08Å | |
| C10 | H46 | sing | 1.08Å | 1.08Å | |
| C14 | H47 | sing | 1.08Å | 1.08Å | |
| N18 | H49 | sing | 0.97Å | 1.00Å | |
| C26 | H55 | sing | 1.08Å | 1.08Å | |
| N28 | H56 | sing | 0.97Å | 1.00Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å | |
| N38 | H69 | sing | 0.97Å | 1.00Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| C42 | H72 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N11 | N12 | 105.6° | 110.7° |
| N11 | C10 | N9 | 109.6° | 107.2° |
| N11 | C10 | H46 | 125.2° | 126.4° |
| N11 | N12 | N13 | 110.9° | 110.2° |
| C10 | N9 | N13 | 107.6° | 105.3° |
| C10 | N9 | C8 | 132.5° | 127.3° |
| N9 | C10 | H46 | 125.2° | 126.4° |
| N12 | N13 | N9 | 106.3° | 106.6° |
| N13 | N9 | C8 | 119.9° | 127.4° |
| N9 | C8 | C3 | 119.5° | 120.2° |
| N9 | C8 | C7 | 120.2° | 120.1° |
| C8 | C3 | C4 | 120.4° | 120.1° |
| C3 | C8 | C7 | 120.3° | 119.7° |
| C8 | C3 | H43 | 119.8° | 119.9° |
| C3 | C4 | C5 | 119.1° | 120.4° |
| C4 | C3 | H43 | 119.8° | 119.9° |
| C3 | C4 | H44 | 120.5° | 119.8° |
| CL2 | C29 | N28 | 121.7° | 126.6° |
| CL2 | C29 | C30 | 129.0° | 126.7° |
| C8 | C7 | C14 | 121.8° | 120.2° |
| C8 | C7 | C6 | 118.7° | 119.6° |
| C29 | N28 | C20 | 103.7° | 107.2° |
| N28 | C29 | C30 | 109.3° | 106.7° |
| C29 | N28 | H56 | 128.1° | 126.4° |
| N28 | C20 | C19 | 123.6° | 125.7° |
| N28 | C20 | N31 | 112.5° | 109.2° |
| C20 | N28 | H56 | 128.1° | 126.4° |
| C33 | C21 | C19 | 115.0° | 109.5° |
| C21 | C33 | C34 | 116.1° | 109.9° |
| C33 | C21 | H51 | 108.1° | 109.4° |
| C33 | C21 | H52 | 108.1° | 109.5° |
| C21 | C33 | H60 | 107.8° | 109.4° |
| C21 | C33 | H59 | 107.8° | 109.5° |
| C21 | C19 | N18 | 112.1° | 109.6° |
| C21 | C19 | C20 | 109.5° | 109.2° |
| C21 | C19 | H50 | 106.9° | 109.5° |
| C19 | C21 | H51 | 108.0° | 109.5° |
| C19 | C21 | H52 | 108.1° | 109.5° |
| C4 | C5 | C6 | 121.6° | 120.3° |
| C4 | C5 | CL1 | 119.2° | 119.8° |
| C5 | C4 | H44 | 120.4° | 119.8° |
| C14 | C7 | C6 | 119.5° | 120.2° |
| C7 | C14 | C15 | 123.0° | 120.0° |
| C7 | C14 | H47 | 118.5° | 120.0° |
| C7 | C6 | C5 | 119.8° | 119.8° |
| C7 | C6 | H45 | 120.1° | 120.1° |
| C33 | C34 | C35 | 115.6° | 109.6° |
| C33 | C34 | H62 | 107.9° | 109.4° |
| C33 | C34 | H61 | 107.9° | 109.5° |
| C34 | C33 | H60 | 107.8° | 109.4° |
| C34 | C33 | H59 | 107.7° | 109.4° |
| C14 | C15 | C16 | 130.3° | 120.0° |
| C14 | C15 | H48 | 114.8° | 120.0° |
| C15 | C14 | H47 | 118.5° | 120.0° |
| C29 | C30 | N31 | 107.9° | 107.7° |
| C29 | C30 | C22 | 131.6° | 126.2° |
| C19 | N18 | C16 | 118.4° | 120.0° |
| N18 | C19 | C20 | 113.1° | 109.5° |
| N18 | C19 | H50 | 107.7° | 109.5° |
| C19 | N18 | H49 | 120.8° | 120.1° |
| N18 | C16 | C15 | 116.4° | 120.0° |
| N18 | C16 | O17 | 121.9° | 120.0° |
| C16 | N18 | H49 | 120.8° | 119.9° |
| C6 | C5 | CL1 | 119.3° | 119.8° |
| C5 | C6 | H45 | 120.1° | 120.1° |
| C19 | C20 | N31 | 123.6° | 125.1° |
| C20 | C19 | H50 | 107.2° | 109.5° |
| C20 | N31 | C30 | 106.5° | 109.0° |
| C37 | C36 | C35 | 118.3° | 109.8° |
| C36 | C37 | C32 | 116.3° | 109.3° |
| C37 | C36 | H65 | 107.3° | 109.4° |
| C37 | C36 | H66 | 107.2° | 109.4° |
| C36 | C37 | H68 | 107.8° | 109.5° |
| C36 | C37 | H67 | 107.7° | 109.6° |
| C36 | C35 | C34 | 117.4° | 110.0° |
| C36 | C35 | H64 | 107.4° | 109.4° |
| C36 | C35 | H63 | 107.4° | 109.3° |
| C35 | C36 | H65 | 107.2° | 109.4° |
| C35 | C36 | H66 | 107.2° | 109.4° |
| C15 | C16 | O17 | 121.5° | 120.0° |
| C16 | C15 | H48 | 114.9° | 120.0° |
| C37 | C32 | C27 | 113.1° | 110.3° |
| C37 | C32 | H58 | 108.6° | 109.3° |
| C37 | C32 | H57 | 108.6° | 109.2° |
| C32 | C37 | H68 | 107.7° | 109.5° |
| C32 | C37 | H67 | 107.7° | 109.5° |
| N31 | C30 | C22 | 120.2° | 126.0° |
| C30 | C22 | C23 | 119.0° | 120.1° |
| C30 | C22 | C27 | 121.7° | 120.1° |
| C35 | C34 | H62 | 107.9° | 109.4° |
| C35 | C34 | H61 | 107.9° | 109.5° |
| C34 | C35 | H64 | 107.4° | 109.3° |
| C34 | C35 | H63 | 107.4° | 109.4° |
| C23 | C22 | C27 | 119.2° | 119.7° |
| C22 | C23 | C24 | 120.7° | 120.1° |
| C22 | C23 | H53 | 119.6° | 120.0° |
| C22 | C27 | C32 | 123.9° | 119.9° |
| C22 | C27 | C26 | 119.2° | 119.8° |
| C23 | C24 | C25 | 120.1° | 120.0° |
| C24 | C23 | H53 | 119.7° | 120.0° |
| C23 | C24 | H54 | 119.9° | 120.0° |
| C32 | C27 | C26 | 116.9° | 120.3° |
| C27 | C32 | H58 | 108.6° | 109.3° |
| C27 | C32 | H57 | 108.6° | 109.3° |
| C27 | C26 | C25 | 121.4° | 120.3° |
| C27 | C26 | H55 | 119.3° | 119.9° |
| C24 | C25 | C26 | 119.2° | 120.0° |
| C24 | C25 | N38 | 123.7° | 120.0° |
| C25 | C24 | H54 | 119.9° | 120.0° |
| C26 | C25 | N38 | 117.1° | 120.0° |
| C25 | C26 | H55 | 119.3° | 119.9° |
| C25 | N38 | C39 | 126.8° | 120.0° |
| C25 | N38 | H69 | 116.6° | 120.0° |
| O41 | C39 | N38 | 126.3° | 120.0° |
| O41 | C39 | O40 | 123.9° | 120.0° |
| N38 | C39 | O40 | 109.7° | 120.0° |
| C39 | N38 | H69 | 116.6° | 120.0° |
| C39 | O40 | C42 | 115.2° | 117.0° |
| O40 | C42 | H70 | 109.5° | 109.5° |
| O40 | C42 | H71 | 109.5° | 109.5° |
| O40 | C42 | H72 | 109.5° | 109.5° |
| H51 | C21 | H52 | 109.5° | 109.4° |
| H62 | C34 | H61 | 109.5° | 109.4° |
| H60 | C33 | H59 | 109.5° | 109.3° |
| H58 | C32 | H57 | 109.5° | 109.3° |
| H64 | C35 | H63 | 109.5° | 109.4° |
| H65 | C36 | H66 | 109.5° | 109.3° |
| H68 | C37 | H67 | 109.5° | 109.5° |
| H70 | C42 | H71 | 109.5° | 109.4° |
| H70 | C42 | H72 | 109.5° | 109.5° |
| H71 | C42 | H72 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C10 | N9 | H46 | 180.0° | 180.0° |
| C10 | N11 | N12 | N13 | 0.6° | 0.0° |
| N11 | C10 | N9 | N13 | 0.7° | 0.0° |
| N11 | C10 | N9 | C8 | 179.1° | 179.7° |
| N12 | N11 | C10 | N9 | 0.8° | 0.0° |
| N11 | N12 | N13 | N9 | 0.2° | 0.0° |
| N12 | N11 | C10 | H46 | 179.2° | 180.0° |
| C10 | N9 | N13 | N12 | 0.3° | 0.0° |
| C10 | N9 | N13 | C8 | 179.9° | 179.7° |
| C10 | N9 | C8 | C3 | 65.2° | 49.9° |
| C10 | N9 | C8 | C7 | 114.1° | 130.2° |
| N12 | N13 | N9 | C8 | 179.6° | 179.7° |
| N13 | N9 | C8 | C3 | 114.6° | 130.4° |
| N13 | N9 | C8 | C7 | 66.1° | 49.5° |
| N13 | N9 | C10 | H46 | 179.3° | 180.0° |
| N9 | C8 | C3 | C7 | 179.4° | 179.9° |
| N9 | C8 | C3 | C4 | 175.6° | 179.9° |
| N9 | C8 | C7 | C14 | 3.4° | 0.1° |
| N9 | C8 | C7 | C6 | 176.9° | 179.9° |
| N9 | C8 | C3 | H43 | 4.4° | 0.2° |
| C8 | N9 | C10 | H46 | 0.8° | 0.3° |
| C8 | C3 | C4 | H43 | 180.0° | 179.7° |
| C8 | C3 | C4 | C5 | 2.2° | 0.0° |
| C3 | C8 | C7 | C14 | 177.3° | 180.0° |
| C3 | C8 | C7 | C6 | 2.4° | 0.1° |
| C8 | C3 | C4 | H44 | 177.8° | 179.9° |
| C4 | C3 | C8 | C7 | 3.8° | 0.0° |
| C3 | C4 | C5 | H44 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C5 | CL1 | 178.1° | 179.9° |
| CL2 | C29 | N28 | C30 | 178.0° | 179.9° |
| CL2 | C29 | N28 | C20 | 178.6° | 179.6° |
| CL2 | C29 | C30 | N31 | 179.0° | 178.8° |
| CL2 | C29 | C30 | C22 | 5.0° | 3.0° |
| CL2 | C29 | N28 | H56 | 1.4° | 0.4° |
| C8 | C7 | C14 | C6 | 179.7° | 179.9° |
| C8 | C7 | C14 | C15 | 128.6° | 174.9° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C8 | C3 | H43 | 176.2° | 179.7° |
| C8 | C7 | C6 | H45 | 179.5° | 179.9° |
| C8 | C7 | C14 | H47 | 51.4° | 5.1° |
| C29 | N28 | C20 | H56 | 180.0° | 180.0° |
| C29 | N28 | C20 | C19 | 173.6° | 178.9° |
| C29 | N28 | C20 | N31 | 0.2° | 1.9° |
| N28 | C29 | C30 | N31 | 1.3° | 1.1° |
| N28 | C29 | C30 | C22 | 172.8° | 177.1° |
| N28 | C20 | C19 | C21 | 57.3° | 147.2° |
| C20 | N28 | C29 | C30 | 0.7° | 0.4° |
| N28 | C20 | C19 | N18 | 68.5° | 27.2° |
| N28 | C20 | C19 | N31 | 173.1° | 179.1° |
| N28 | C20 | N31 | C30 | 1.0° | 2.6° |
| N28 | C20 | C19 | H50 | 172.9° | 92.9° |
| C33 | C21 | C19 | H51 | 120.8° | 120.0° |
| C33 | C21 | C19 | H52 | 120.8° | 120.1° |
| C21 | C33 | C34 | H60 | 121.0° | 120.1° |
| C21 | C33 | C34 | H59 | 121.0° | 120.2° |
| C33 | C21 | C19 | N18 | 178.4° | 160.6° |
| C33 | C21 | C19 | C20 | 55.2° | 79.5° |
| C21 | C33 | C34 | C35 | 176.3° | 175.1° |
| C33 | C21 | C19 | H50 | 60.6° | 40.4° |
| C33 | C21 | H51 | H52 | 117.5° | 120.0° |
| C21 | C33 | C34 | H62 | 55.4° | 64.9° |
| C21 | C33 | C34 | H61 | 62.8° | 55.0° |
| C21 | C33 | H60 | H59 | 117.0° | 119.9° |
| C19 | C21 | C33 | C34 | 42.5° | 136.4° |
| C21 | C19 | N18 | C20 | 124.4° | 119.7° |
| C21 | C19 | N18 | H50 | 117.3° | 120.1° |
| C21 | C19 | N18 | C16 | 159.8° | 155.3° |
| C21 | C19 | C20 | H50 | 115.6° | 119.9° |
| C21 | C19 | C20 | N31 | 115.9° | 31.9° |
| C19 | C21 | H51 | H52 | 117.5° | 120.0° |
| C19 | C21 | C33 | H60 | 163.5° | 16.4° |
| C19 | C21 | C33 | H59 | 78.4° | 103.4° |
| C21 | C19 | N18 | H49 | 20.2° | 24.7° |
| C4 | C5 | C6 | C7 | 2.1° | 0.1° |
| C4 | C5 | C6 | CL1 | 178.8° | 180.0° |
| C5 | C4 | C3 | H43 | 177.8° | 179.8° |
| C4 | C5 | C6 | H45 | 177.9° | 180.0° |
| C7 | C14 | C15 | H47 | 180.0° | 180.0° |
| C14 | C7 | C6 | C5 | 179.8° | 179.9° |
| C7 | C14 | C15 | C16 | 179.9° | 180.0° |
| C7 | C14 | C15 | H48 | 0.1° | 0.0° |
| C14 | C7 | C6 | H45 | 0.2° | 0.0° |
| C6 | C7 | C14 | C15 | 51.1° | 5.1° |
| C7 | C6 | C5 | H45 | 180.0° | 179.9° |
| C7 | C6 | C5 | CL1 | 176.8° | 179.9° |
| C6 | C7 | C14 | H47 | 128.9° | 174.9° |
| C33 | C34 | C35 | C36 | 52.9° | 135.3° |
| C33 | C34 | C35 | H62 | 120.9° | 120.0° |
| C33 | C34 | C35 | H61 | 120.9° | 120.1° |
| C34 | C33 | C21 | H51 | 163.3° | 103.6° |
| C34 | C33 | C21 | H52 | 78.3° | 16.3° |
| C33 | C34 | H62 | H61 | 117.2° | 119.9° |
| C34 | C33 | H60 | H59 | 116.9° | 119.8° |
| C33 | C34 | C35 | H64 | 68.2° | 15.2° |
| C33 | C34 | C35 | H63 | 174.0° | 104.6° |
| C14 | C15 | C16 | N18 | 13.7° | 179.7° |
| C14 | C15 | C16 | H48 | 180.0° | 180.0° |
| C14 | C15 | C16 | O17 | 160.8° | 0.0° |
| C29 | C30 | N31 | C20 | 1.4° | 2.3° |
| C29 | C30 | N31 | C22 | 174.8° | 178.2° |
| C29 | C30 | C22 | C23 | 59.9° | 10.0° |
| C29 | C30 | C22 | C27 | 120.8° | 170.1° |
| C30 | C29 | N28 | H56 | 179.3° | 179.6° |
| C19 | N18 | C16 | H49 | 180.0° | 180.0° |
| N18 | C19 | C20 | H50 | 118.6° | 120.2° |
| N18 | C19 | C20 | N31 | 118.3° | 151.9° |
| C19 | N18 | C16 | C15 | 175.7° | 179.7° |
| C19 | N18 | C16 | O17 | 9.9° | 0.0° |
| N18 | C19 | C21 | H51 | 60.8° | 40.6° |
| N18 | C19 | C21 | H52 | 57.6° | 79.4° |
| C16 | N18 | C19 | C20 | 75.8° | 85.0° |
| N18 | C16 | C15 | O17 | 174.5° | 179.8° |
| N18 | C16 | C15 | H48 | 166.3° | 0.3° |
| C16 | N18 | C19 | H50 | 42.5° | 35.1° |
| C6 | C5 | C4 | H44 | 179.3° | 180.0° |
| CL1 | C5 | C4 | H44 | 1.9° | 0.0° |
| CL1 | C5 | C6 | H45 | 3.3° | 0.0° |
| C19 | C20 | N31 | C30 | 172.8° | 178.1° |
| C20 | C19 | C21 | H51 | 65.6° | 160.5° |
| C20 | C19 | C21 | H52 | 176.0° | 40.6° |
| C20 | C19 | N18 | H49 | 104.2° | 95.0° |
| C19 | C20 | N28 | H56 | 6.4° | 1.1° |
| C20 | N31 | C30 | C22 | 173.5° | 175.9° |
| N31 | C20 | C19 | H50 | 0.3° | 87.9° |
| N31 | C20 | N28 | H56 | 179.8° | 178.1° |
| C37 | C36 | C35 | H65 | 121.3° | 120.1° |
| C37 | C36 | C35 | H66 | 121.2° | 120.1° |
| C36 | C37 | C32 | H68 | 121.0° | 119.9° |
| C36 | C37 | C32 | H67 | 121.0° | 120.0° |
| C37 | C36 | C35 | C34 | 47.9° | 75.0° |
| C36 | C37 | C32 | C27 | 176.4° | 160.5° |
| C36 | C37 | C32 | H58 | 63.1° | 79.3° |
| C36 | C37 | C32 | H57 | 55.9° | 40.3° |
| C37 | C36 | C35 | H64 | 169.0° | 45.1° |
| C37 | C36 | C35 | H63 | 73.2° | 164.8° |
| C37 | C36 | H65 | H66 | 116.0° | 119.9° |
| C36 | C37 | H68 | H67 | 116.9° | 120.2° |
| C35 | C36 | C37 | C32 | 48.1° | 84.9° |
| C36 | C35 | C34 | H64 | 121.1° | 120.1° |
| C36 | C35 | C34 | H63 | 121.1° | 120.1° |
| C36 | C35 | C34 | H62 | 68.0° | 104.7° |
| C36 | C35 | C34 | H61 | 173.8° | 15.2° |
| C36 | C35 | H64 | H63 | 116.4° | 119.7° |
| C35 | C36 | H65 | H66 | 116.0° | 119.8° |
| C35 | C36 | C37 | H68 | 169.1° | 155.2° |
| C35 | C36 | C37 | H67 | 72.9° | 35.0° |
| C16 | C15 | C14 | H47 | 0.2° | 0.0° |
| C15 | C16 | N18 | H49 | 4.3° | 0.2° |
| C37 | C32 | C27 | C22 | 61.3° | 124.9° |
| C37 | C32 | C27 | H58 | 120.5° | 120.3° |
| C37 | C32 | C27 | H57 | 120.5° | 120.1° |
| C37 | C32 | C27 | C26 | 120.2° | 55.9° |
| C37 | C32 | H58 | H57 | 118.4° | 119.5° |
| C32 | C37 | C36 | H65 | 169.4° | 155.0° |
| C32 | C37 | C36 | H66 | 73.1° | 35.2° |
| C32 | C37 | H68 | H67 | 116.9° | 120.0° |
| N31 | C30 | C22 | C23 | 126.6° | 167.9° |
| N31 | C30 | C22 | C27 | 52.7° | 12.0° |
| C30 | C22 | C23 | C27 | 179.3° | 180.0° |
| C30 | C22 | C23 | C24 | 179.8° | 179.9° |
| C30 | C22 | C27 | C32 | 1.1° | 0.8° |
| C30 | C22 | C27 | C26 | 177.4° | 180.0° |
| C30 | C22 | C23 | H53 | 0.2° | 0.1° |
| C35 | C34 | H62 | H61 | 117.2° | 120.0° |
| C35 | C34 | C33 | H60 | 62.7° | 55.0° |
| C35 | C34 | C33 | H59 | 55.3° | 64.7° |
| C34 | C35 | H64 | H63 | 116.4° | 119.8° |
| C34 | C35 | C36 | H65 | 73.4° | 164.8° |
| C34 | C35 | C36 | H66 | 169.1° | 45.1° |
| O17 | C16 | C15 | H48 | 19.2° | 180.0° |
| O17 | C16 | N18 | H49 | 170.1° | 180.0° |
| C22 | C23 | C24 | H53 | 180.0° | 179.9° |
| C23 | C22 | C27 | C32 | 179.6° | 179.2° |
| C23 | C22 | C27 | C26 | 1.9° | 0.0° |
| C22 | C23 | C24 | C25 | 3.8° | 0.0° |
| C22 | C23 | C24 | H54 | 176.2° | 180.0° |
| C27 | C22 | C23 | C24 | 0.5° | 0.0° |
| C22 | C27 | C32 | C26 | 178.4° | 179.2° |
| C22 | C27 | C26 | C25 | 1.1° | 0.1° |
| C27 | C22 | C23 | H53 | 179.5° | 179.9° |
| C22 | C27 | C26 | H55 | 178.9° | 180.0° |
| C22 | C27 | C32 | H58 | 59.2° | 4.7° |
| C22 | C27 | C32 | H57 | 178.2° | 115.0° |
| C23 | C24 | C25 | H54 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 4.7° | 0.1° |
| C23 | C24 | C25 | N38 | 176.9° | 179.9° |
| C32 | C27 | C26 | C25 | 179.6° | 179.3° |
| C32 | C27 | C26 | H55 | 0.4° | 0.8° |
| C27 | C32 | H58 | H57 | 118.4° | 119.6° |
| C27 | C32 | C37 | H68 | 55.4° | 40.5° |
| C27 | C32 | C37 | H67 | 62.6° | 79.5° |
| C27 | C26 | C25 | C24 | 2.2° | 0.1° |
| C27 | C26 | C25 | H55 | 180.0° | 180.0° |
| C27 | C26 | C25 | N38 | 179.3° | 179.9° |
| C26 | C27 | C32 | H58 | 119.2° | 176.1° |
| C26 | C27 | C32 | H57 | 0.3° | 64.2° |
| C24 | C25 | C26 | N38 | 178.5° | 180.0° |
| C24 | C25 | N38 | C39 | 18.9° | 35.1° |
| C25 | C24 | C23 | H53 | 176.2° | 180.0° |
| C24 | C25 | C26 | H55 | 177.8° | 179.9° |
| C24 | C25 | N38 | H69 | 161.2° | 144.9° |
| C26 | C25 | N38 | C39 | 159.6° | 144.9° |
| C26 | C25 | C24 | H54 | 175.3° | 179.9° |
| C26 | C25 | N38 | H69 | 20.4° | 35.2° |
| C25 | N38 | C39 | O41 | 10.5° | 4.4° |
| C25 | N38 | C39 | H69 | 180.0° | 180.0° |
| C25 | N38 | C39 | O40 | 172.7° | 175.6° |
| N38 | C25 | C24 | H54 | 3.1° | 0.1° |
| N38 | C25 | C26 | H55 | 0.7° | 0.1° |
| O41 | C39 | N38 | O40 | 176.8° | 180.0° |
| O41 | C39 | O40 | C42 | 1.1° | 0.0° |
| O41 | C39 | N38 | H69 | 169.4° | 175.6° |
| N38 | C39 | O40 | C42 | 178.0° | 180.0° |
| O40 | C39 | N38 | H69 | 7.3° | 4.4° |
| C39 | O40 | C42 | H70 | 180.0° | 60.0° |
| C39 | O40 | C42 | H71 | 60.0° | 60.0° |
| C39 | O40 | C42 | H72 | 60.0° | 180.0° |
| O40 | C42 | H70 | H71 | 120.0° | 120.0° |
| O40 | C42 | H70 | H72 | 120.0° | 120.0° |
| O40 | C42 | H71 | H72 | 120.0° | 120.0° |
| H48 | C15 | C14 | H47 | 179.9° | 180.0° |
| H50 | C19 | C21 | H51 | 178.5° | 79.6° |
| H50 | C19 | C21 | H52 | 60.2° | 160.5° |
| H50 | C19 | N18 | H49 | 137.5° | 144.9° |
| H51 | C21 | C33 | H60 | 75.7° | 136.4° |
| H51 | C21 | C33 | H59 | 42.4° | 16.6° |
| H52 | C21 | C33 | H60 | 42.7° | 103.7° |
| H52 | C21 | C33 | H59 | 160.8° | 136.5° |
| H53 | C23 | C24 | H54 | 3.8° | 0.0° |
| H62 | C34 | C33 | H60 | 176.4° | 175.0° |
| H62 | C34 | C33 | H59 | 65.6° | 55.3° |
| H62 | C34 | C35 | H64 | 170.9° | 135.2° |
| H62 | C34 | C35 | H63 | 53.1° | 15.4° |
| H61 | C34 | C33 | H60 | 58.1° | 65.1° |
| H61 | C34 | C33 | H59 | 176.2° | 175.2° |
| H61 | C34 | C35 | H64 | 52.6° | 104.9° |
| H61 | C34 | C35 | H63 | 65.1° | 135.3° |
| H43 | C3 | C4 | H44 | 2.2° | 0.3° |
| H58 | C32 | C37 | H68 | 175.9° | 160.8° |
| H58 | C32 | C37 | H67 | 57.9° | 40.7° |
| H57 | C32 | C37 | H68 | 65.1° | 79.6° |
| H57 | C32 | C37 | H67 | 176.8° | 160.3° |
| H64 | C35 | C36 | H65 | 47.7° | 75.1° |
| H64 | C35 | C36 | H66 | 69.7° | 165.2° |
| H63 | C35 | C36 | H65 | 165.5° | 44.7° |
| H63 | C35 | C36 | H66 | 48.0° | 75.1° |
| H65 | C36 | C37 | H68 | 69.7° | 35.1° |
| H65 | C36 | C37 | H67 | 48.4° | 85.1° |
| H66 | C36 | C37 | H68 | 47.8° | 84.7° |
| H66 | C36 | C37 | H67 | 165.9° | 155.1° |
| H70 | C42 | H71 | H72 | 120.0° | 120.0° |
