ESW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C26 | sing | 1.43Å | 1.44Å | |
| 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 | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | N21 | sing | 1.46Å | 1.47Å | |
| N21 | C20 | sing | 1.39Å | 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 | 1.34Å | Aromatic |
| C18 | C13 | sing | 1.48Å | 1.49Å | |
| C18 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | sing | 1.48Å | 1.49Å | |
| C30 | CL1 | sing | 1.74Å | 1.73Å | |
| C9 | N8 | sing | 1.47Å | 1.47Å | |
| C16 | O17 | doub | 1.22Å | 1.22Å | |
| C16 | N8 | sing | 1.34Å | 1.36Å | |
| N8 | C7 | sing | 1.47Å | 1.45Å | |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | N4 | sing | 1.35Å | 1.35Å | |
| C5 | O6 | doub | 1.21Å | 1.23Å | |
| N4 | C2 | sing | 1.46Å | 1.48Å | |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C32 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| N4 | H44 | sing | 0.97Å | 1.00Å | |
| C7 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.08Å | 1.08Å | |
| C12 | H50 | sing | 1.08Å | 1.08Å | |
| C14 | H51 | sing | 1.08Å | 1.08Å | |
| C22 | H53 | sing | 1.09Å | 1.10Å | |
| C23 | H54 | sing | 1.09Å | 1.10Å | |
| C23 | H55 | sing | 1.09Å | 1.10Å | |
| C24 | H56 | sing | 1.09Å | 1.10Å | |
| C24 | H57 | sing | 1.09Å | 1.10Å | |
| C26 | H59 | sing | 1.09Å | 1.10Å | |
| C26 | H58 | sing | 1.09Å | 1.10Å | |
| C27 | H60 | sing | 1.09Å | 1.10Å | |
| C27 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.08Å | 1.08Å | |
| C36 | H66 | sing | 1.08Å | 1.08Å | |
| C37 | H67 | sing | 1.08Å | 1.08Å | |
| C9 | H47 | sing | 1.09Å | 1.10Å | |
| C9 | H48 | sing | 1.09Å | 1.10Å | |
| N21 | H52 | sing | 0.97Å | 1.00Å | |
| C29 | H62 | sing | 1.08Å | 1.08Å | |
| C33 | H63 | sing | 1.08Å | 1.08Å | |
| C34 | H64 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O25 | C24 | 109.9° | 114.1° |
| O25 | C26 | C27 | 111.3° | 109.4° |
| O25 | C26 | H59 | 109.0° | 109.5° |
| O25 | C26 | H58 | 109.0° | 109.4° |
| O25 | C24 | C23 | 111.5° | 109.4° |
| O25 | C24 | H56 | 108.9° | 109.5° |
| O25 | C24 | H57 | 108.9° | 109.5° |
| C26 | C27 | C22 | 111.8° | 109.2° |
| C27 | C26 | H59 | 109.0° | 109.6° |
| C27 | C26 | H58 | 109.0° | 109.5° |
| C26 | C27 | H60 | 108.9° | 109.5° |
| C26 | C27 | H61 | 108.9° | 109.5° |
| C27 | C22 | C23 | 110.5° | 109.1° |
| C27 | C22 | N21 | 110.8° | 109.6° |
| C27 | C22 | H53 | 107.9° | 109.5° |
| C22 | C27 | H60 | 108.9° | 109.4° |
| C22 | C27 | H61 | 108.9° | 109.6° |
| C24 | C23 | C22 | 108.9° | 109.2° |
| C24 | C23 | H54 | 109.6° | 109.5° |
| C24 | C23 | H55 | 109.6° | 109.5° |
| C23 | C24 | H56 | 108.9° | 109.5° |
| C23 | C24 | H57 | 109.0° | 109.5° |
| C23 | C22 | N21 | 110.9° | 109.5° |
| C23 | C22 | H53 | 108.0° | 109.5° |
| C22 | C23 | H54 | 109.6° | 109.5° |
| C22 | C23 | H55 | 109.6° | 109.5° |
| C22 | N21 | C20 | 123.8° | 120.0° |
| N21 | C22 | H53 | 108.6° | 109.6° |
| C22 | N21 | H52 | 105.8° | 120.1° |
| N21 | C20 | N19 | 117.0° | 119.2° |
| N21 | C20 | N28 | 116.6° | 119.1° |
| C20 | N21 | H52 | 105.8° | 119.9° |
| N19 | C20 | N28 | 126.4° | 121.7° |
| C20 | N19 | C18 | 116.9° | 120.7° |
| C20 | N28 | C29 | 115.5° | 121.0° |
| N19 | C18 | C13 | 115.0° | 120.6° |
| N19 | C18 | C30 | 121.0° | 118.9° |
| N28 | C29 | C30 | 122.7° | 119.3° |
| N28 | C29 | H62 | 118.6° | 120.4° |
| C13 | C18 | C30 | 124.0° | 120.5° |
| C18 | C13 | C12 | 119.9° | 120.0° |
| C18 | C13 | C14 | 122.0° | 120.0° |
| C18 | C30 | C29 | 117.5° | 118.4° |
| C18 | C30 | CL1 | 123.4° | 120.8° |
| C13 | C12 | C11 | 121.3° | 120.1° |
| C12 | C13 | C14 | 118.1° | 120.0° |
| C13 | C12 | H50 | 119.4° | 119.9° |
| C12 | C11 | C10 | 120.3° | 120.1° |
| C12 | C11 | H49 | 119.8° | 119.9° |
| C11 | C12 | H50 | 119.4° | 120.0° |
| C13 | C14 | C15 | 120.4° | 119.7° |
| C13 | C14 | H51 | 119.8° | 120.1° |
| C11 | C10 | C15 | 119.6° | 120.5° |
| C11 | C10 | C9 | 131.0° | 133.1° |
| C10 | C11 | H49 | 119.8° | 119.9° |
| C14 | C15 | C10 | 120.3° | 119.5° |
| C14 | C15 | C16 | 131.0° | 132.3° |
| C15 | C14 | H51 | 119.8° | 120.1° |
| C29 | C30 | CL1 | 119.1° | 120.8° |
| C30 | C29 | H62 | 118.6° | 120.3° |
| C15 | C10 | C9 | 109.4° | 106.4° |
| C10 | C15 | C16 | 108.7° | 108.2° |
| C10 | C9 | N8 | 102.3° | 106.3° |
| C10 | C9 | H47 | 111.2° | 110.1° |
| C10 | C9 | H48 | 111.2° | 110.1° |
| C15 | C16 | O17 | 128.9° | 124.8° |
| C15 | C16 | N8 | 106.3° | 110.3° |
| C9 | N8 | C16 | 113.3° | 108.8° |
| C9 | N8 | C7 | 123.0° | 125.7° |
| N8 | C9 | H47 | 111.2° | 110.1° |
| N8 | C9 | H48 | 111.2° | 110.1° |
| O17 | C16 | N8 | 124.9° | 124.9° |
| C16 | N8 | C7 | 123.6° | 125.5° |
| N8 | C7 | C5 | 110.4° | 109.5° |
| N8 | C7 | H45 | 109.2° | 109.5° |
| N8 | C7 | H46 | 109.2° | 109.5° |
| C7 | C5 | N4 | 115.9° | 120.0° |
| C7 | C5 | O6 | 120.5° | 120.0° |
| C5 | C7 | H45 | 109.3° | 109.5° |
| C5 | C7 | H46 | 109.2° | 109.4° |
| N4 | C5 | O6 | 123.6° | 120.0° |
| C5 | N4 | C2 | 124.2° | 120.0° |
| C5 | N4 | H44 | 117.9° | 120.0° |
| N4 | C2 | C1 | 108.1° | 109.5° |
| N4 | C2 | C32 | 102.9° | 109.5° |
| N4 | C2 | C3 | 107.6° | 109.4° |
| C2 | N4 | H44 | 117.9° | 120.0° |
| C36 | C37 | C32 | 120.9° | 120.0° |
| C37 | C36 | C35 | 120.2° | 120.0° |
| C37 | C36 | H66 | 119.9° | 120.1° |
| C36 | C37 | H67 | 119.5° | 119.9° |
| C37 | C32 | C2 | 120.1° | 120.0° |
| C37 | C32 | C33 | 118.3° | 120.0° |
| C32 | C37 | H67 | 119.5° | 120.0° |
| C36 | C35 | C34 | 119.6° | 120.0° |
| C36 | C35 | H65 | 120.2° | 120.0° |
| C35 | C36 | H66 | 119.9° | 120.0° |
| C1 | C2 | C32 | 112.6° | 109.5° |
| C1 | C2 | C3 | 109.2° | 109.5° |
| C2 | C1 | H39 | 109.5° | 109.5° |
| C2 | C1 | H38 | 109.4° | 109.4° |
| C2 | C1 | H40 | 109.5° | 109.5° |
| C32 | C2 | C3 | 115.9° | 109.5° |
| C2 | C32 | C33 | 121.6° | 120.0° |
| C2 | C3 | H41 | 109.5° | 109.5° |
| C2 | C3 | H43 | 109.5° | 109.5° |
| C2 | C3 | H42 | 109.5° | 109.5° |
| C32 | C33 | C34 | 120.7° | 120.0° |
| C32 | C33 | H63 | 119.7° | 119.9° |
| C35 | C34 | C33 | 120.3° | 120.0° |
| C34 | C35 | H65 | 120.2° | 120.0° |
| C35 | C34 | H64 | 119.9° | 120.0° |
| C34 | C33 | H63 | 119.6° | 120.1° |
| C33 | C34 | H64 | 119.9° | 120.0° |
| H39 | C1 | H38 | 109.5° | 109.5° |
| H39 | C1 | H40 | 109.5° | 109.5° |
| H38 | C1 | H40 | 109.5° | 109.5° |
| H41 | C3 | H43 | 109.4° | 109.4° |
| H41 | C3 | H42 | 109.5° | 109.5° |
| H43 | C3 | H42 | 109.5° | 109.5° |
| H45 | C7 | H46 | 109.5° | 109.5° |
| H54 | C23 | H55 | 109.5° | 109.5° |
| H56 | C24 | H57 | 109.5° | 109.5° |
| H59 | C26 | H58 | 109.5° | 109.5° |
| H60 | C27 | H61 | 109.5° | 109.5° |
| H47 | C9 | H48 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C26 | C27 | H59 | 120.3° | 120.0° |
| O25 | C26 | C27 | H58 | 120.3° | 119.9° |
| O25 | C26 | C27 | C22 | 53.2° | 57.5° |
| C26 | O25 | C24 | C23 | 64.4° | 61.2° |
| C26 | O25 | C24 | H56 | 175.3° | 58.8° |
| C26 | O25 | C24 | H57 | 55.9° | 178.8° |
| O25 | C26 | H59 | H58 | 119.2° | 119.9° |
| O25 | C26 | C27 | H60 | 173.6° | 62.3° |
| O25 | C26 | C27 | H61 | 67.1° | 177.5° |
| C24 | O25 | C26 | C27 | 59.9° | 61.2° |
| O25 | C24 | C23 | H56 | 120.3° | 120.0° |
| O25 | C24 | C23 | H57 | 120.3° | 120.0° |
| O25 | C24 | C23 | C22 | 60.4° | 57.6° |
| O25 | C24 | C23 | H54 | 59.5° | 177.5° |
| O25 | C24 | C23 | H55 | 179.7° | 62.3° |
| O25 | C24 | H56 | H57 | 119.0° | 120.0° |
| C24 | O25 | C26 | H59 | 60.4° | 178.8° |
| C24 | O25 | C26 | H58 | 179.9° | 58.8° |
| C26 | C27 | C22 | H60 | 120.4° | 119.9° |
| C26 | C27 | C22 | H61 | 120.4° | 120.0° |
| C26 | C27 | C22 | C23 | 49.7° | 56.9° |
| C26 | C27 | C22 | N21 | 173.0° | 176.8° |
| C26 | C27 | C22 | H53 | 68.2° | 62.9° |
| C27 | C26 | H59 | H58 | 119.1° | 120.1° |
| C26 | C27 | H60 | H61 | 118.9° | 120.1° |
| C27 | C22 | C23 | C24 | 52.1° | 56.9° |
| C27 | C22 | C23 | N21 | 123.3° | 119.9° |
| C27 | C22 | C23 | H53 | 117.8° | 119.9° |
| C27 | C22 | N21 | H53 | 118.4° | 120.2° |
| C27 | C22 | N21 | C20 | 80.3° | 85.2° |
| C27 | C22 | C23 | H54 | 67.8° | 176.8° |
| C27 | C22 | C23 | H55 | 172.0° | 63.0° |
| C22 | C27 | C26 | H59 | 67.1° | 177.5° |
| C22 | C27 | C26 | H58 | 173.5° | 62.3° |
| C22 | C27 | H60 | H61 | 118.9° | 120.1° |
| C27 | C22 | N21 | H52 | 41.6° | 94.8° |
| C24 | C23 | C22 | H54 | 119.9° | 119.9° |
| C24 | C23 | C22 | H55 | 119.9° | 119.9° |
| C24 | C23 | C22 | N21 | 175.4° | 176.8° |
| C24 | C23 | C22 | H53 | 65.7° | 62.9° |
| C24 | C23 | H54 | H55 | 120.3° | 120.2° |
| C23 | C24 | H56 | H57 | 119.1° | 120.0° |
| C23 | C22 | N21 | H53 | 118.5° | 120.2° |
| C23 | C22 | N21 | C20 | 156.5° | 155.2° |
| C22 | C23 | H54 | H55 | 120.3° | 120.1° |
| C22 | C23 | C24 | H56 | 179.3° | 62.4° |
| C22 | C23 | C24 | H57 | 59.9° | 177.6° |
| C23 | C22 | C27 | H60 | 170.0° | 63.0° |
| C23 | C22 | C27 | H61 | 70.7° | 176.9° |
| C23 | C22 | N21 | H52 | 81.6° | 24.8° |
| C22 | N21 | C20 | H52 | 121.9° | 180.0° |
| C22 | N21 | C20 | N19 | 1.9° | 180.0° |
| C22 | N21 | C20 | N28 | 178.3° | 0.0° |
| N21 | C22 | C23 | H54 | 55.5° | 63.2° |
| N21 | C22 | C23 | H55 | 64.7° | 56.9° |
| N21 | C22 | C27 | H60 | 66.6° | 56.9° |
| N21 | C22 | C27 | H61 | 52.6° | 63.2° |
| N21 | C20 | N19 | N28 | 179.8° | 180.0° |
| N21 | C20 | N19 | C18 | 179.9° | 180.0° |
| N21 | C20 | N28 | C29 | 179.1° | 180.0° |
| C20 | N21 | C22 | H53 | 38.0° | 35.0° |
| N19 | C20 | N28 | C29 | 1.1° | 0.0° |
| C20 | N19 | C18 | C13 | 180.0° | 180.0° |
| C20 | N19 | C18 | C30 | 1.4° | 0.3° |
| N19 | C20 | N21 | H52 | 120.0° | 0.0° |
| N28 | C20 | N19 | C18 | 0.1° | 0.0° |
| C20 | N28 | C29 | C30 | 0.7° | 0.3° |
| N28 | C20 | N21 | H52 | 59.8° | 180.0° |
| C20 | N28 | C29 | H62 | 179.3° | 179.9° |
| N19 | C18 | C13 | C30 | 178.6° | 179.7° |
| N19 | C18 | C13 | C12 | 30.7° | 145.3° |
| N19 | C18 | C13 | C14 | 148.6° | 34.7° |
| N19 | C18 | C30 | C29 | 1.7° | 0.5° |
| N19 | C18 | C30 | CL1 | 178.7° | 179.7° |
| N28 | C29 | C30 | C18 | 0.6° | 0.5° |
| N28 | C29 | C30 | H62 | 180.0° | 179.8° |
| N28 | C29 | C30 | CL1 | 179.7° | 179.7° |
| C18 | C13 | C12 | C14 | 179.3° | 180.0° |
| C18 | C13 | C12 | C11 | 179.5° | 180.0° |
| C18 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | C18 | C30 | C29 | 179.8° | 179.8° |
| C13 | C18 | C30 | CL1 | 0.1° | 0.1° |
| C18 | C13 | C12 | H50 | 0.5° | 0.1° |
| C18 | C13 | C14 | H51 | 0.4° | 0.0° |
| C30 | C18 | C13 | C12 | 147.9° | 35.1° |
| C30 | C18 | C13 | C14 | 32.8° | 145.0° |
| C18 | C30 | C29 | CL1 | 179.7° | 179.7° |
| C18 | C30 | C29 | H62 | 179.4° | 179.7° |
| C13 | C12 | C11 | H50 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C12 | C13 | C14 | C15 | 1.1° | 0.0° |
| C13 | C12 | C11 | H49 | 179.6° | 180.0° |
| C12 | C13 | C14 | H51 | 178.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C10 | H49 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.2° | 0.0° |
| C12 | C11 | C10 | C9 | 179.6° | 179.7° |
| C13 | C14 | C15 | H51 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 1.4° | 0.0° |
| C13 | C14 | C15 | C16 | 179.7° | 179.7° |
| C14 | C13 | C12 | H50 | 179.8° | 179.9° |
| C11 | C10 | C15 | C14 | 0.7° | 0.0° |
| C11 | C10 | C15 | C9 | 179.8° | 179.8° |
| C11 | C10 | C15 | C16 | 179.9° | 179.8° |
| C11 | C10 | C9 | N8 | 179.2° | 179.8° |
| C10 | C11 | C12 | H50 | 179.6° | 179.9° |
| C11 | C10 | C9 | H47 | 60.4° | 61.0° |
| C11 | C10 | C9 | H48 | 62.0° | 60.5° |
| C14 | C15 | C10 | C16 | 179.2° | 179.8° |
| C14 | C15 | C10 | C9 | 179.5° | 179.8° |
| C14 | C15 | C16 | O17 | 0.1° | 0.2° |
| C14 | C15 | C16 | N8 | 179.8° | 179.7° |
| C15 | C10 | C9 | N8 | 0.6° | 0.0° |
| C10 | C15 | C16 | O17 | 178.9° | 180.0° |
| C10 | C15 | C16 | N8 | 1.1° | 0.0° |
| C15 | C10 | C11 | H49 | 179.9° | 180.0° |
| C10 | C15 | C14 | H51 | 178.6° | 180.0° |
| C15 | C10 | C9 | H47 | 119.4° | 119.2° |
| C15 | C10 | C9 | H48 | 118.3° | 119.2° |
| C9 | C10 | C15 | C16 | 0.3° | 0.0° |
| C10 | C9 | N8 | H47 | 118.8° | 119.2° |
| C10 | C9 | N8 | H48 | 118.8° | 119.2° |
| C10 | C9 | N8 | C16 | 1.4° | 0.0° |
| C10 | C9 | N8 | C7 | 179.6° | 180.0° |
| C9 | C10 | C11 | H49 | 0.4° | 0.3° |
| C10 | C9 | H47 | H48 | 123.3° | 121.5° |
| C15 | C16 | N8 | C9 | 1.6° | 0.0° |
| C15 | C16 | O17 | N8 | 180.0° | 179.9° |
| C15 | C16 | N8 | C7 | 179.4° | 180.0° |
| C16 | C15 | C14 | H51 | 0.3° | 0.2° |
| CL1 | C30 | C29 | H62 | 0.2° | 0.0° |
| C9 | N8 | C16 | O17 | 178.5° | 180.0° |
| C9 | N8 | C16 | C7 | 179.0° | 180.0° |
| C9 | N8 | C7 | C5 | 74.9° | 90.0° |
| C9 | N8 | C7 | H45 | 45.2° | 150.0° |
| C9 | N8 | C7 | H46 | 164.9° | 30.0° |
| N8 | C9 | H47 | H48 | 123.4° | 121.6° |
| O17 | C16 | N8 | C7 | 0.6° | 0.0° |
| C16 | N8 | C7 | C5 | 106.1° | 90.0° |
| C16 | N8 | C7 | H45 | 133.7° | 30.0° |
| C16 | N8 | C7 | H46 | 14.0° | 150.0° |
| C16 | N8 | C9 | H47 | 120.2° | 119.2° |
| C16 | N8 | C9 | H48 | 117.5° | 119.2° |
| N8 | C7 | C5 | H45 | 120.1° | 120.0° |
| N8 | C7 | C5 | H46 | 120.1° | 120.0° |
| N8 | C7 | C5 | N4 | 137.9° | 180.0° |
| N8 | C7 | C5 | O6 | 42.1° | 0.0° |
| N8 | C7 | H45 | H46 | 119.6° | 120.0° |
| C7 | N8 | C9 | H47 | 60.8° | 60.8° |
| C7 | N8 | C9 | H48 | 61.6° | 60.8° |
| C7 | C5 | N4 | O6 | 180.0° | 180.0° |
| C7 | C5 | N4 | C2 | 161.9° | 180.0° |
| C7 | C5 | N4 | H44 | 18.0° | 0.0° |
| C5 | C7 | H45 | H46 | 119.6° | 120.0° |
| C5 | N4 | C2 | H44 | 180.0° | 179.9° |
| C5 | N4 | C2 | C1 | 174.6° | 61.1° |
| C5 | N4 | C2 | C32 | 55.3° | 178.9° |
| C5 | N4 | C2 | C3 | 67.6° | 58.9° |
| N4 | C5 | C7 | H45 | 17.7° | 60.0° |
| N4 | C5 | C7 | H46 | 102.0° | 60.0° |
| O6 | C5 | N4 | C2 | 18.0° | 0.0° |
| O6 | C5 | N4 | H44 | 162.0° | 180.0° |
| O6 | C5 | C7 | H45 | 162.2° | 120.0° |
| O6 | C5 | C7 | H46 | 78.0° | 120.0° |
| N4 | C2 | C32 | C37 | 58.8° | 155.2° |
| N4 | C2 | C1 | C32 | 113.0° | 120.0° |
| N4 | C2 | C1 | C3 | 116.8° | 120.0° |
| N4 | C2 | C32 | C3 | 117.1° | 120.0° |
| N4 | C2 | C32 | C33 | 118.2° | 24.8° |
| N4 | C2 | C1 | H39 | 180.0° | 60.0° |
| N4 | C2 | C1 | H38 | 60.0° | 60.0° |
| N4 | C2 | C1 | H40 | 60.0° | 179.9° |
| N4 | C2 | C3 | H41 | 180.0° | 60.0° |
| N4 | C2 | C3 | H43 | 60.0° | 60.0° |
| N4 | C2 | C3 | H42 | 60.0° | 180.0° |
| C36 | C37 | C32 | H67 | 180.0° | 180.0° |
| C37 | C36 | C35 | H66 | 180.0° | 180.0° |
| C36 | C37 | C32 | C2 | 177.9° | 180.0° |
| C36 | C37 | C32 | C33 | 0.9° | 0.1° |
| C37 | C36 | C35 | C34 | 0.2° | 0.0° |
| C37 | C36 | C35 | H65 | 179.8° | 179.7° |
| C32 | C37 | C36 | C35 | 0.4° | 0.1° |
| C37 | C32 | C2 | C1 | 57.4° | 35.2° |
| C37 | C32 | C2 | C33 | 176.9° | 179.9° |
| C37 | C32 | C2 | C3 | 175.8° | 84.8° |
| C37 | C32 | C33 | C34 | 1.3° | 0.0° |
| C32 | C37 | C36 | H66 | 179.7° | 180.0° |
| C37 | C32 | C33 | H63 | 178.7° | 180.0° |
| C36 | C35 | C34 | H65 | 180.0° | 179.6° |
| C36 | C35 | C34 | C33 | 0.5° | 0.0° |
| C35 | C36 | C37 | H67 | 179.6° | 179.9° |
| C36 | C35 | C34 | H64 | 179.5° | 179.7° |
| C1 | C2 | C32 | C3 | 126.8° | 120.0° |
| C1 | C2 | C32 | C33 | 125.7° | 144.9° |
| C2 | C1 | H39 | H38 | 120.0° | 120.0° |
| C2 | C1 | H39 | H40 | 120.0° | 120.0° |
| C2 | C1 | H38 | H40 | 120.0° | 120.0° |
| C1 | C2 | C3 | H41 | 62.9° | 60.0° |
| C1 | C2 | C3 | H43 | 57.1° | 180.0° |
| C1 | C2 | C3 | H42 | 177.1° | 60.0° |
| C1 | C2 | N4 | H44 | 5.4° | 118.9° |
| C2 | C32 | C33 | C34 | 178.3° | 180.0° |
| C32 | C2 | C1 | H39 | 67.0° | 60.0° |
| C32 | C2 | C1 | H38 | 53.0° | 180.0° |
| C32 | C2 | C1 | H40 | 173.0° | 60.0° |
| C32 | C2 | C3 | H41 | 65.6° | 180.0° |
| C32 | C2 | C3 | H43 | 174.5° | 60.0° |
| C32 | C2 | C3 | H42 | 54.5° | 60.0° |
| C32 | C2 | N4 | H44 | 124.7° | 1.2° |
| C2 | C32 | C37 | H67 | 2.0° | 0.0° |
| C2 | C32 | C33 | H63 | 1.7° | 0.1° |
| C3 | C2 | C32 | C33 | 1.1° | 95.2° |
| C3 | C2 | C1 | H39 | 63.3° | 180.0° |
| C3 | C2 | C1 | H38 | 176.8° | 60.0° |
| C3 | C2 | C1 | H40 | 56.8° | 60.0° |
| C2 | C3 | H41 | H43 | 120.0° | 120.0° |
| C2 | C3 | H41 | H42 | 120.0° | 120.0° |
| C2 | C3 | H43 | H42 | 120.0° | 120.0° |
| C3 | C2 | N4 | H44 | 112.5° | 121.2° |
| C32 | C33 | C34 | C35 | 1.1° | 0.0° |
| C32 | C33 | C34 | H63 | 180.0° | 180.0° |
| C33 | C32 | C37 | H67 | 179.0° | 179.9° |
| C32 | C33 | C34 | H64 | 178.9° | 179.7° |
| C35 | C34 | C33 | H64 | 180.0° | 179.7° |
| C34 | C35 | C36 | H66 | 179.9° | 180.0° |
| C35 | C34 | C33 | H63 | 178.9° | 180.0° |
| C33 | C34 | C35 | H65 | 179.5° | 179.7° |
| H39 | C1 | H38 | H40 | 120.0° | 120.0° |
| H41 | C3 | H43 | H42 | 120.0° | 120.0° |
| H49 | C11 | C12 | H50 | 0.4° | 0.1° |
| H53 | C22 | C23 | H54 | 174.4° | 57.0° |
| H53 | C22 | C23 | H55 | 54.2° | 177.1° |
| H53 | C22 | C27 | H60 | 52.2° | 177.2° |
| H53 | C22 | C27 | H61 | 171.4° | 57.0° |
| H53 | C22 | N21 | H52 | 159.9° | 145.0° |
| H54 | C23 | C24 | H56 | 60.8° | 57.6° |
| H54 | C23 | C24 | H57 | 179.8° | 62.5° |
| H55 | C23 | C24 | H56 | 59.4° | 177.7° |
| H55 | C23 | C24 | H57 | 60.0° | 57.7° |
| H59 | C26 | C27 | H60 | 53.3° | 57.7° |
| H59 | C26 | C27 | H61 | 172.6° | 62.5° |
| H58 | C26 | C27 | H60 | 66.2° | 177.8° |
| H58 | C26 | C27 | H61 | 53.1° | 57.7° |
| H65 | C35 | C36 | H66 | 0.1° | 0.3° |
| H65 | C35 | C34 | H64 | 0.5° | 0.0° |
| H66 | C36 | C37 | H67 | 0.4° | 0.0° |
| H63 | C33 | C34 | H64 | 1.1° | 0.3° |
