ESK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| O25 | C24 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | N21 | sing | 1.47Å | 1.46Å | |
| N21 | C20 | sing | 1.38Å | 1.35Å | |
| C20 | N19 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | N28 | sing | 1.33Å | 1.34Å | Aromatic |
| N19 | C18 | sing | 1.33Å | 1.34Å | Aromatic |
| N28 | C29 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | C13 | sing | 1.48Å | 1.49Å | |
| C18 | C30 | doub | 1.40Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | CL1 | sing | 1.74Å | 1.73Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C15 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| O17 | C16 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N8 | sing | 1.34Å | 1.36Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| N8 | C9 | sing | 1.47Å | 1.46Å | |
| N8 | C7 | sing | 1.47Å | 1.45Å | |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | N4 | sing | 1.35Å | 1.33Å | |
| C5 | O6 | doub | 1.21Å | 1.23Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| N4 | C3 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C32 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| C7 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H44 | sing | 1.09Å | 1.10Å | |
| C11 | H47 | sing | 1.08Å | 1.08Å | |
| C12 | H48 | sing | 1.08Å | 1.08Å | |
| C14 | H49 | sing | 1.08Å | 1.08Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C24 | H54 | sing | 1.09Å | 1.10Å | |
| C24 | H55 | sing | 1.09Å | 1.10Å | |
| C26 | H57 | sing | 1.09Å | 1.10Å | |
| C26 | H56 | sing | 1.09Å | 1.10Å | |
| C27 | H58 | sing | 1.09Å | 1.10Å | |
| C27 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.08Å | 1.08Å | |
| C36 | H64 | sing | 1.08Å | 1.08Å | |
| C37 | H65 | sing | 1.08Å | 1.08Å | |
| O1 | H39 | sing | 0.97Å | 0.95Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C9 | H46 | sing | 1.09Å | 1.10Å | |
| N21 | H50 | sing | 0.97Å | 1.00Å | |
| C29 | H60 | sing | 1.08Å | 1.08Å | |
| C33 | H61 | sing | 1.08Å | 1.08Å | |
| C34 | H62 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O25 | C24 | 110.4° | 114.1° |
| O25 | C26 | C27 | 111.4° | 109.4° |
| O25 | C26 | H57 | 109.0° | 109.5° |
| O25 | C26 | H56 | 109.0° | 109.4° |
| O25 | C24 | C23 | 111.4° | 109.4° |
| O25 | C24 | H54 | 109.0° | 109.5° |
| O25 | C24 | H55 | 109.0° | 109.5° |
| C26 | C27 | C22 | 109.6° | 109.2° |
| C27 | C26 | H57 | 109.0° | 109.5° |
| C27 | C26 | H56 | 109.0° | 109.5° |
| C26 | C27 | H58 | 109.4° | 109.5° |
| C26 | C27 | H59 | 109.4° | 109.6° |
| C27 | C22 | C23 | 110.1° | 109.1° |
| C27 | C22 | N21 | 110.6° | 109.6° |
| C27 | C22 | H51 | 108.3° | 109.5° |
| C22 | C27 | H58 | 109.5° | 109.5° |
| C22 | C27 | H59 | 109.5° | 109.6° |
| C24 | C23 | C22 | 106.8° | 109.2° |
| C24 | C23 | H52 | 110.2° | 109.5° |
| C24 | C23 | H53 | 110.1° | 109.5° |
| C23 | C24 | H54 | 109.0° | 109.5° |
| C23 | C24 | H55 | 109.0° | 109.4° |
| C23 | C22 | N21 | 110.5° | 109.5° |
| C23 | C22 | H51 | 108.3° | 109.5° |
| C22 | C23 | H52 | 110.1° | 109.6° |
| C22 | C23 | H53 | 110.1° | 109.5° |
| C22 | N21 | C20 | 126.4° | 120.0° |
| N21 | C22 | H51 | 109.0° | 109.5° |
| C22 | N21 | H50 | 105.1° | 120.0° |
| N21 | C20 | N19 | 117.8° | 119.1° |
| N21 | C20 | N28 | 115.4° | 119.2° |
| C20 | N21 | H50 | 105.1° | 120.0° |
| N19 | C20 | N28 | 126.8° | 121.7° |
| C20 | N19 | C18 | 116.3° | 120.6° |
| C20 | N28 | C29 | 115.4° | 121.0° |
| N19 | C18 | C13 | 115.2° | 120.5° |
| N19 | C18 | C30 | 121.1° | 119.0° |
| N28 | C29 | C30 | 122.6° | 119.3° |
| N28 | C29 | H60 | 118.7° | 120.4° |
| C13 | C18 | C30 | 123.7° | 120.5° |
| C18 | C13 | C14 | 122.6° | 120.0° |
| C18 | C13 | C12 | 119.0° | 120.0° |
| C18 | C30 | C29 | 117.8° | 118.4° |
| C18 | C30 | CL1 | 123.2° | 120.8° |
| C29 | C30 | CL1 | 119.0° | 120.8° |
| C30 | C29 | H60 | 118.7° | 120.3° |
| C14 | C13 | C12 | 118.4° | 120.0° |
| C13 | C14 | C15 | 119.9° | 119.7° |
| C13 | C14 | H49 | 120.0° | 120.1° |
| C13 | C12 | C11 | 121.3° | 120.1° |
| C13 | C12 | H48 | 119.3° | 120.0° |
| C14 | C15 | C16 | 130.8° | 132.2° |
| C14 | C15 | C10 | 120.5° | 119.5° |
| C15 | C14 | H49 | 120.0° | 120.1° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C12 | C11 | H47 | 120.0° | 119.9° |
| C11 | C12 | H48 | 119.3° | 119.9° |
| C16 | C15 | C10 | 108.7° | 108.2° |
| C15 | C16 | O17 | 128.9° | 124.9° |
| C15 | C16 | N8 | 106.0° | 110.3° |
| C15 | C10 | C11 | 119.8° | 120.5° |
| C15 | C10 | C9 | 109.6° | 106.4° |
| O17 | C16 | N8 | 125.1° | 124.9° |
| C11 | C10 | C9 | 130.6° | 133.1° |
| C10 | C11 | H47 | 119.9° | 119.9° |
| C16 | N8 | C9 | 113.5° | 108.8° |
| C16 | N8 | C7 | 124.3° | 125.6° |
| C10 | C9 | N8 | 102.1° | 106.3° |
| C10 | C9 | H45 | 111.3° | 110.1° |
| C10 | C9 | H46 | 111.3° | 110.1° |
| C9 | N8 | C7 | 122.2° | 125.6° |
| N8 | C9 | H45 | 111.3° | 109.6° |
| N8 | C9 | H46 | 111.3° | 110.7° |
| N8 | C7 | C5 | 114.1° | 109.5° |
| N8 | C7 | H43 | 108.3° | 109.5° |
| N8 | C7 | H44 | 108.3° | 109.4° |
| C7 | C5 | N4 | 115.2° | 120.0° |
| C7 | C5 | O6 | 121.4° | 120.0° |
| C5 | C7 | H43 | 108.3° | 109.5° |
| C5 | C7 | H44 | 108.3° | 109.5° |
| N4 | C5 | O6 | 123.4° | 120.0° |
| C5 | N4 | C3 | 123.4° | 120.0° |
| C5 | N4 | H42 | 118.3° | 119.9° |
| O1 | C2 | C3 | 111.4° | 109.4° |
| O1 | C2 | H41 | 109.0° | 109.5° |
| O1 | C2 | H40 | 109.0° | 109.5° |
| C2 | O1 | H39 | 109.5° | 114.0° |
| N4 | C3 | C2 | 108.8° | 109.5° |
| N4 | C3 | C32 | 112.7° | 109.5° |
| N4 | C3 | H38 | 109.1° | 109.4° |
| C3 | N4 | H42 | 118.3° | 120.0° |
| C2 | C3 | C32 | 109.7° | 109.5° |
| C3 | C2 | H41 | 109.0° | 109.5° |
| C3 | C2 | H40 | 109.0° | 109.5° |
| C2 | C3 | H38 | 108.2° | 109.5° |
| C34 | C33 | C32 | 120.8° | 120.0° |
| C33 | C34 | C35 | 120.1° | 120.0° |
| C34 | C33 | H61 | 119.6° | 120.0° |
| C33 | C34 | H62 | 119.9° | 120.0° |
| C33 | C32 | C3 | 121.5° | 120.0° |
| C33 | C32 | C37 | 118.5° | 120.0° |
| C32 | C33 | H61 | 119.6° | 120.0° |
| C3 | C32 | C37 | 120.0° | 120.0° |
| C32 | C3 | H38 | 108.3° | 109.5° |
| C34 | C35 | C36 | 119.8° | 120.0° |
| C34 | C35 | H63 | 120.1° | 120.0° |
| C35 | C34 | H62 | 120.0° | 120.0° |
| C32 | C37 | C36 | 120.6° | 120.0° |
| C32 | C37 | H65 | 119.7° | 120.0° |
| C35 | C36 | C37 | 120.2° | 120.1° |
| C36 | C35 | H63 | 120.1° | 120.0° |
| C35 | C36 | H64 | 119.9° | 120.0° |
| C37 | C36 | H64 | 119.9° | 119.9° |
| C36 | C37 | H65 | 119.7° | 120.1° |
| H41 | C2 | H40 | 109.5° | 109.5° |
| H43 | C7 | H44 | 109.5° | 109.5° |
| H52 | C23 | H53 | 109.5° | 109.6° |
| H54 | C24 | H55 | 109.5° | 109.5° |
| H57 | C26 | H56 | 109.5° | 109.4° |
| H58 | C27 | H59 | 109.4° | 109.5° |
| H45 | C9 | H46 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C26 | C27 | H57 | 120.3° | 120.0° |
| O25 | C26 | C27 | H56 | 120.3° | 120.0° |
| O25 | C26 | C27 | C22 | 55.6° | 57.5° |
| C26 | O25 | C24 | C23 | 63.2° | 61.1° |
| C26 | O25 | C24 | H54 | 176.5° | 58.8° |
| C26 | O25 | C24 | H55 | 57.1° | 178.9° |
| O25 | C26 | H57 | H56 | 119.1° | 120.0° |
| O25 | C26 | C27 | H58 | 175.6° | 62.3° |
| O25 | C26 | C27 | H59 | 64.5° | 177.6° |
| C24 | O25 | C26 | C27 | 59.1° | 61.1° |
| O25 | C24 | C23 | H54 | 120.3° | 120.0° |
| O25 | C24 | C23 | H55 | 120.3° | 120.0° |
| O25 | C24 | C23 | C22 | 61.7° | 57.6° |
| O25 | C24 | C23 | H52 | 57.9° | 177.5° |
| O25 | C24 | C23 | H53 | 178.8° | 62.3° |
| O25 | C24 | H54 | H55 | 119.1° | 120.1° |
| C24 | O25 | C26 | H57 | 61.1° | 178.8° |
| C24 | O25 | C26 | H56 | 179.4° | 58.8° |
| C26 | C27 | C22 | H58 | 120.0° | 119.9° |
| C26 | C27 | C22 | H59 | 120.0° | 120.0° |
| C26 | C27 | C22 | C23 | 55.5° | 56.9° |
| C26 | C27 | C22 | N21 | 177.9° | 176.8° |
| C26 | C27 | C22 | H51 | 62.7° | 63.0° |
| C27 | C26 | H57 | H56 | 119.1° | 120.0° |
| C26 | C27 | H58 | H59 | 119.9° | 120.2° |
| C27 | C22 | C23 | C24 | 57.6° | 56.9° |
| C27 | C22 | C23 | N21 | 122.5° | 120.0° |
| C27 | C22 | C23 | H51 | 118.2° | 119.9° |
| C27 | C22 | N21 | H51 | 118.9° | 120.1° |
| C27 | C22 | N21 | C20 | 78.2° | 85.1° |
| C27 | C22 | C23 | H52 | 62.0° | 176.8° |
| C27 | C22 | C23 | H53 | 177.2° | 63.0° |
| C22 | C27 | C26 | H57 | 64.7° | 177.6° |
| C22 | C27 | C26 | H56 | 175.8° | 62.4° |
| C22 | C27 | H58 | H59 | 120.0° | 120.2° |
| C27 | C22 | N21 | H50 | 44.1° | 94.8° |
| C24 | C23 | C22 | H52 | 119.6° | 119.9° |
| C24 | C23 | C22 | H53 | 119.6° | 119.9° |
| C24 | C23 | C22 | N21 | 179.9° | 176.8° |
| C24 | C23 | C22 | H51 | 60.6° | 63.0° |
| C24 | C23 | H52 | H53 | 121.3° | 120.1° |
| C23 | C24 | H54 | H55 | 119.1° | 120.0° |
| C23 | C22 | N21 | H51 | 118.9° | 120.1° |
| C23 | C22 | N21 | C20 | 159.6° | 155.2° |
| C22 | C23 | H52 | H53 | 121.2° | 120.2° |
| C22 | C23 | C24 | H54 | 178.0° | 62.4° |
| C22 | C23 | C24 | H55 | 58.6° | 177.6° |
| C23 | C22 | C27 | H58 | 175.5° | 63.0° |
| C23 | C22 | C27 | H59 | 64.5° | 176.9° |
| C23 | C22 | N21 | H50 | 78.1° | 24.9° |
| C22 | N21 | C20 | H50 | 122.3° | 180.0° |
| C22 | N21 | C20 | N19 | 5.5° | 180.0° |
| C22 | N21 | C20 | N28 | 173.7° | 0.0° |
| N21 | C22 | C23 | H52 | 60.4° | 63.2° |
| N21 | C22 | C23 | H53 | 60.4° | 57.0° |
| N21 | C22 | C27 | H58 | 62.1° | 57.0° |
| N21 | C22 | C27 | H59 | 57.9° | 63.1° |
| N21 | C20 | N19 | N28 | 179.1° | 180.0° |
| N21 | C20 | N19 | C18 | 179.8° | 180.0° |
| N21 | C20 | N28 | C29 | 179.3° | 179.9° |
| C20 | N21 | C22 | H51 | 40.7° | 35.0° |
| N19 | C20 | N28 | C29 | 1.5° | 0.0° |
| C20 | N19 | C18 | C13 | 178.1° | 180.0° |
| C20 | N19 | C18 | C30 | 0.0° | 0.3° |
| N19 | C20 | N21 | H50 | 127.8° | 0.0° |
| N28 | C20 | N19 | C18 | 0.7° | 0.0° |
| C20 | N28 | C29 | C30 | 1.7° | 0.2° |
| N28 | C20 | N21 | H50 | 51.4° | 180.0° |
| C20 | N28 | C29 | H60 | 178.3° | 180.0° |
| N19 | C18 | C13 | C30 | 178.0° | 179.6° |
| N19 | C18 | C30 | C29 | 0.2° | 0.5° |
| N19 | C18 | C13 | C14 | 144.8° | 34.6° |
| N19 | C18 | C13 | C12 | 37.6° | 145.6° |
| N19 | C18 | C30 | CL1 | 179.5° | 179.7° |
| N28 | C29 | C30 | C18 | 1.1° | 0.4° |
| N28 | C29 | C30 | H60 | 180.0° | 179.9° |
| N28 | C29 | C30 | CL1 | 179.6° | 179.8° |
| C13 | C18 | C30 | C29 | 177.7° | 179.9° |
| C18 | C13 | C14 | C12 | 177.5° | 179.7° |
| C18 | C13 | C14 | C15 | 178.9° | 179.9° |
| C13 | C18 | C30 | CL1 | 1.6° | 0.1° |
| C18 | C13 | C12 | C11 | 178.6° | 179.7° |
| C18 | C13 | C12 | H48 | 1.4° | 0.3° |
| C18 | C13 | C14 | H49 | 1.1° | 0.3° |
| C18 | C30 | C29 | CL1 | 179.3° | 179.8° |
| C30 | C18 | C13 | C14 | 37.1° | 145.0° |
| C30 | C18 | C13 | C12 | 140.4° | 34.8° |
| C18 | C30 | C29 | H60 | 178.9° | 179.7° |
| C13 | C14 | C15 | H49 | 180.0° | 179.6° |
| C14 | C13 | C12 | C11 | 1.0° | 0.0° |
| C13 | C14 | C15 | C16 | 179.7° | 180.0° |
| C13 | C14 | C15 | C10 | 1.5° | 0.7° |
| C14 | C13 | C12 | H48 | 179.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.4° | 0.3° |
| C13 | C12 | C11 | H48 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C13 | C12 | C11 | H47 | 179.3° | 179.9° |
| C12 | C13 | C14 | H49 | 178.6° | 180.0° |
| C14 | C15 | C16 | C10 | 178.4° | 179.4° |
| C14 | C15 | C16 | O17 | 1.8° | 0.0° |
| C14 | C15 | C10 | C11 | 1.1° | 0.7° |
| C14 | C15 | C16 | N8 | 178.7° | 180.0° |
| C14 | C15 | C10 | C9 | 179.6° | 179.6° |
| CL1 | C30 | C29 | H60 | 0.4° | 0.1° |
| C12 | C11 | C10 | C15 | 0.7° | 0.3° |
| C12 | C11 | C10 | H47 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.8° | 180.0° |
| C15 | C16 | O17 | N8 | 179.4° | 180.0° |
| C16 | C15 | C10 | C11 | 179.7° | 179.8° |
| C16 | C15 | C10 | C9 | 1.8° | 0.1° |
| C15 | C16 | N8 | C9 | 2.9° | 0.8° |
| C15 | C16 | N8 | C7 | 176.6° | 180.0° |
| C16 | C15 | C14 | H49 | 0.3° | 0.4° |
| C10 | C15 | C16 | O17 | 176.6° | 179.4° |
| C15 | C10 | C11 | C9 | 178.1° | 179.7° |
| C10 | C15 | C16 | N8 | 2.9° | 0.6° |
| C15 | C10 | C9 | N8 | 0.1° | 0.4° |
| C15 | C10 | C11 | H47 | 179.3° | 179.7° |
| C10 | C15 | C14 | H49 | 178.5° | 179.7° |
| C15 | C10 | C9 | H45 | 118.9° | 119.0° |
| C15 | C10 | C9 | H46 | 118.7° | 119.5° |
| O17 | C16 | N8 | C9 | 176.6° | 179.2° |
| O17 | C16 | N8 | C7 | 3.9° | 0.0° |
| C11 | C10 | C9 | N8 | 178.4° | 179.3° |
| C10 | C11 | C12 | H48 | 179.4° | 180.0° |
| C11 | C10 | C9 | H45 | 62.8° | 60.8° |
| C11 | C10 | C9 | H46 | 59.5° | 60.8° |
| C16 | N8 | C9 | C10 | 1.8° | 0.7° |
| C16 | N8 | C9 | C7 | 179.5° | 179.2° |
| C16 | N8 | C7 | C5 | 88.7° | 90.0° |
| C16 | N8 | C7 | H43 | 150.6° | 30.0° |
| C16 | N8 | C7 | H44 | 32.0° | 150.0° |
| C16 | N8 | C9 | H45 | 117.0° | 119.7° |
| C16 | N8 | C9 | H46 | 120.7° | 118.8° |
| C10 | C9 | N8 | H45 | 118.8° | 118.9° |
| C10 | C9 | N8 | H46 | 118.8° | 119.5° |
| C10 | C9 | N8 | C7 | 177.7° | 179.9° |
| C9 | C10 | C11 | H47 | 1.2° | 0.0° |
| C10 | C9 | H45 | H46 | 123.4° | 121.6° |
| C9 | N8 | C7 | C5 | 91.8° | 90.9° |
| C9 | N8 | C7 | H43 | 28.9° | 149.1° |
| C9 | N8 | C7 | H44 | 147.5° | 29.0° |
| N8 | C9 | H45 | H46 | 123.4° | 121.9° |
| N8 | C7 | C5 | H43 | 120.7° | 120.0° |
| N8 | C7 | C5 | H44 | 120.7° | 119.9° |
| N8 | C7 | C5 | N4 | 164.1° | 180.0° |
| N8 | C7 | C5 | O6 | 16.0° | 0.0° |
| N8 | C7 | H43 | H44 | 117.9° | 120.0° |
| C7 | N8 | C9 | H45 | 63.5° | 61.1° |
| C7 | N8 | C9 | H46 | 58.9° | 60.4° |
| C7 | C5 | N4 | O6 | 179.9° | 180.0° |
| C7 | C5 | N4 | C3 | 165.4° | 180.0° |
| C7 | C5 | N4 | H42 | 14.6° | 0.0° |
| C5 | C7 | H43 | H44 | 117.9° | 120.0° |
| C5 | N4 | C3 | H42 | 180.0° | 180.0° |
| C5 | N4 | C3 | C2 | 99.9° | 85.0° |
| C5 | N4 | C3 | C32 | 138.2° | 155.0° |
| C5 | N4 | C3 | H38 | 17.9° | 35.0° |
| N4 | C5 | C7 | H43 | 43.4° | 60.0° |
| N4 | C5 | C7 | H44 | 75.2° | 60.1° |
| O6 | C5 | N4 | C3 | 14.4° | 0.0° |
| O6 | C5 | N4 | H42 | 165.6° | 180.0° |
| O6 | C5 | C7 | H43 | 136.7° | 120.0° |
| O6 | C5 | C7 | H44 | 104.7° | 119.9° |
| O1 | C2 | C3 | N4 | 54.7° | 65.0° |
| O1 | C2 | C3 | H41 | 120.3° | 120.0° |
| O1 | C2 | C3 | H40 | 120.3° | 120.0° |
| O1 | C2 | C3 | C32 | 69.0° | 55.0° |
| O1 | C2 | H41 | H40 | 119.1° | 120.0° |
| O1 | C2 | C3 | H38 | 173.1° | 175.0° |
| N4 | C3 | C2 | C32 | 123.6° | 120.0° |
| N4 | C3 | C2 | H38 | 118.4° | 119.9° |
| N4 | C3 | C32 | C33 | 22.6° | 40.0° |
| N4 | C3 | C32 | H38 | 120.8° | 120.0° |
| N4 | C3 | C32 | C37 | 158.5° | 140.0° |
| N4 | C3 | C2 | H41 | 175.0° | 55.0° |
| N4 | C3 | C2 | H40 | 65.7° | 175.0° |
| C2 | C3 | C32 | C33 | 98.8° | 80.0° |
| C2 | C3 | C32 | H38 | 117.9° | 120.0° |
| C2 | C3 | C32 | C37 | 80.2° | 100.0° |
| C3 | C2 | H41 | H40 | 119.1° | 120.0° |
| C2 | C3 | N4 | H42 | 80.1° | 95.0° |
| C3 | C2 | O1 | H39 | 180.0° | 180.0° |
| C34 | C33 | C32 | H61 | 180.0° | 179.4° |
| C34 | C33 | C32 | C3 | 179.2° | 179.7° |
| C33 | C34 | C35 | H62 | 180.0° | 179.4° |
| C34 | C33 | C32 | C37 | 0.3° | 0.4° |
| C33 | C34 | C35 | C36 | 0.2° | 0.6° |
| C33 | C34 | C35 | H63 | 179.8° | 179.7° |
| C33 | C32 | C3 | C37 | 179.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.6° |
| C33 | C32 | C37 | C36 | 0.5° | 0.1° |
| C33 | C32 | C3 | H38 | 143.3° | 159.9° |
| C33 | C32 | C37 | H65 | 179.5° | 180.0° |
| C32 | C33 | C34 | H62 | 179.9° | 180.0° |
| C3 | C32 | C37 | C36 | 179.5° | 179.9° |
| C32 | C3 | C2 | H41 | 51.3° | 175.0° |
| C32 | C3 | C2 | H40 | 170.7° | 65.0° |
| C32 | C3 | N4 | H42 | 41.7° | 25.0° |
| C3 | C32 | C37 | H65 | 0.5° | 0.1° |
| C3 | C32 | C33 | H61 | 0.7° | 0.3° |
| C34 | C35 | C36 | H63 | 180.0° | 179.7° |
| C34 | C35 | C36 | C37 | 0.0° | 0.4° |
| C34 | C35 | C36 | H64 | 180.0° | 179.7° |
| C35 | C34 | C33 | H61 | 180.0° | 180.0° |
| C32 | C37 | C36 | C35 | 0.4° | 0.1° |
| C32 | C37 | C36 | H65 | 180.0° | 179.9° |
| C37 | C32 | C3 | H38 | 37.7° | 20.0° |
| C32 | C37 | C36 | H64 | 179.6° | 180.0° |
| C37 | C32 | C33 | H61 | 179.7° | 179.8° |
| C35 | C36 | C37 | H64 | 180.0° | 179.9° |
| C35 | C36 | C37 | H65 | 179.6° | 180.0° |
| C36 | C35 | C34 | H62 | 179.8° | 180.0° |
| C37 | C36 | C35 | H63 | 179.9° | 180.0° |
| H41 | C2 | C3 | H38 | 66.6° | 65.0° |
| H41 | C2 | O1 | H39 | 59.7° | 60.0° |
| H40 | C2 | C3 | H38 | 52.8° | 55.0° |
| H40 | C2 | O1 | H39 | 59.7° | 60.0° |
| H38 | C3 | N4 | H42 | 162.0° | 145.0° |
| H47 | C11 | C12 | H48 | 0.7° | 0.0° |
| H51 | C22 | C23 | H52 | 179.8° | 56.9° |
| H51 | C22 | C23 | H53 | 59.0° | 177.1° |
| H51 | C22 | C27 | H58 | 57.3° | 177.1° |
| H51 | C22 | C27 | H59 | 177.3° | 57.0° |
| H51 | C22 | N21 | H50 | 163.0° | 145.0° |
| H52 | C23 | C24 | H54 | 62.4° | 57.5° |
| H52 | C23 | C24 | H55 | 178.2° | 62.4° |
| H53 | C23 | C24 | H54 | 58.5° | 177.7° |
| H53 | C23 | C24 | H55 | 60.9° | 57.7° |
| H57 | C26 | C27 | H58 | 55.3° | 57.7° |
| H57 | C26 | C27 | H59 | 175.2° | 62.4° |
| H56 | C26 | C27 | H58 | 64.1° | 177.7° |
| H56 | C26 | C27 | H59 | 55.8° | 57.6° |
| H63 | C35 | C36 | H64 | 0.1° | 0.1° |
| H63 | C35 | C34 | H62 | 0.2° | 0.3° |
| H64 | C36 | C37 | H65 | 0.4° | 0.1° |
| H61 | C33 | C34 | H62 | 0.0° | 0.6° |
