XWK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.21Å | 1.26Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | N6 | sing | 1.35Å | 1.42Å | |
| C4 | N9 | sing | 1.47Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | N6 | sing | 1.47Å | 1.52Å | |
| N6 | C7 | sing | 1.47Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N9 | sing | 1.47Å | 1.54Å | |
| N9 | C33 | sing | 1.40Å | 1.42Å | |
| C10 | C33 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| O12 | C23 | doub | 1.21Å | 1.22Å | |
| C13 | N22 | sing | 1.47Å | 1.51Å | |
| CL14 | C18 | sing | 1.74Å | 1.73Å | |
| C15 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.44Å | Aromatic |
| C17 | C34 | sing | 1.43Å | 1.40Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | N22 | sing | 1.47Å | 1.44Å | |
| N22 | C23 | sing | 1.35Å | 1.36Å | |
| C23 | C24 | sing | 1.51Å | 1.58Å | |
| C24 | N27 | sing | 1.46Å | 1.46Å | |
| O25 | C26 | doub | 1.22Å | 1.26Å | |
| C26 | C31 | sing | 1.47Å | 1.45Å | |
| C26 | N27 | sing | 1.35Å | 1.41Å | |
| N27 | C28 | sing | 1.36Å | 1.40Å | |
| C28 | N29 | doub | 1.30Å | 1.29Å | |
| N29 | C30 | sing | 1.36Å | 1.41Å | |
| C30 | C31 | sing | 1.41Å | 1.45Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.42Å | Aromatic |
| C34 | N35 | trip | 1.14Å | 1.13Å | |
| C10 | H47 | sing | 1.08Å | 1.08Å | |
| C11 | H48 | sing | 1.08Å | 1.08Å | |
| C13 | H50 | sing | 1.09Å | 1.10Å | |
| C13 | H51 | sing | 1.09Å | 1.10Å | |
| C13 | H49 | sing | 1.09Å | 1.10Å | |
| C15 | H52 | sing | 1.08Å | 1.08Å | |
| C16 | H53 | sing | 1.08Å | 1.08Å | |
| C19 | H54 | sing | 1.08Å | 1.08Å | |
| C21 | H56 | sing | 1.09Å | 1.10Å | |
| C21 | H55 | sing | 1.09Å | 1.10Å | |
| C24 | H57 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.09Å | 1.10Å | |
| C28 | H59 | sing | 1.08Å | 1.08Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C5 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C7 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| C8 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C2 | 121.0° | 120.0° |
| O1 | C3 | N6 | 120.5° | 120.0° |
| C2 | C3 | N6 | 118.5° | 120.0° |
| C3 | C2 | H36 | 109.5° | 109.5° |
| C3 | C2 | H38 | 109.5° | 109.5° |
| C3 | C2 | H37 | 109.5° | 109.5° |
| C3 | N6 | C5 | 125.4° | 120.9° |
| C3 | N6 | C7 | 121.9° | 120.9° |
| N9 | C4 | C5 | 108.1° | 109.3° |
| C4 | N9 | C8 | 112.6° | 111.3° |
| C4 | N9 | C33 | 116.3° | 111.0° |
| N9 | C4 | H39 | 109.8° | 109.5° |
| N9 | C4 | H40 | 109.8° | 109.4° |
| C4 | C5 | N6 | 109.5° | 108.5° |
| C5 | C4 | H39 | 109.8° | 109.5° |
| C5 | C4 | H40 | 109.8° | 109.5° |
| C4 | C5 | H41 | 109.5° | 109.6° |
| C4 | C5 | H42 | 109.5° | 109.7° |
| C5 | N6 | C7 | 112.0° | 118.2° |
| N6 | C5 | H41 | 109.5° | 109.6° |
| N6 | C5 | H42 | 109.5° | 109.6° |
| N6 | C7 | C8 | 109.3° | 108.5° |
| N6 | C7 | H43 | 109.5° | 109.7° |
| N6 | C7 | H44 | 109.5° | 109.6° |
| C7 | C8 | N9 | 110.6° | 109.3° |
| C8 | C7 | H43 | 109.5° | 109.6° |
| C8 | C7 | H44 | 109.5° | 109.6° |
| C7 | C8 | H45 | 109.2° | 109.5° |
| C7 | C8 | H46 | 109.2° | 109.5° |
| C8 | N9 | C33 | 107.4° | 111.0° |
| N9 | C8 | H45 | 109.2° | 109.5° |
| N9 | C8 | H46 | 109.2° | 109.5° |
| N9 | C33 | C10 | 120.3° | 119.8° |
| N9 | C33 | C32 | 120.5° | 119.8° |
| C33 | C10 | C11 | 120.8° | 120.9° |
| C10 | C33 | C32 | 119.2° | 120.4° |
| C33 | C10 | H47 | 119.6° | 119.6° |
| C10 | C11 | C30 | 121.4° | 119.9° |
| C11 | C10 | H47 | 119.6° | 119.5° |
| C10 | C11 | H48 | 119.3° | 120.1° |
| C11 | C30 | N29 | 119.9° | 121.6° |
| C11 | C30 | C31 | 118.7° | 119.5° |
| C30 | C11 | H48 | 119.3° | 120.0° |
| O12 | C23 | N22 | 119.2° | 120.0° |
| O12 | C23 | C24 | 121.9° | 120.0° |
| C13 | N22 | C21 | 118.6° | 120.0° |
| C13 | N22 | C23 | 123.1° | 120.0° |
| N22 | C13 | H50 | 109.5° | 109.4° |
| N22 | C13 | H51 | 109.5° | 109.5° |
| N22 | C13 | H49 | 109.5° | 109.5° |
| CL14 | C18 | C17 | 119.3° | 120.1° |
| CL14 | C18 | C19 | 120.9° | 120.1° |
| C20 | C15 | C16 | 120.0° | 120.2° |
| C15 | C20 | C19 | 123.9° | 120.3° |
| C15 | C20 | C21 | 117.5° | 119.9° |
| C20 | C15 | H52 | 120.0° | 119.9° |
| C15 | C16 | C17 | 117.8° | 119.9° |
| C16 | C15 | H52 | 120.0° | 119.9° |
| C15 | C16 | H53 | 121.1° | 120.1° |
| C16 | C17 | C18 | 122.1° | 119.7° |
| C16 | C17 | C34 | 117.7° | 120.2° |
| C17 | C16 | H53 | 121.1° | 120.0° |
| C18 | C17 | C34 | 120.2° | 120.2° |
| C17 | C18 | C19 | 119.8° | 119.8° |
| C17 | C34 | N35 | 179.1° | 180.0° |
| C18 | C19 | C20 | 116.4° | 120.1° |
| C18 | C19 | H54 | 121.8° | 119.9° |
| C19 | C20 | C21 | 118.5° | 119.8° |
| C20 | C19 | H54 | 121.8° | 119.9° |
| C20 | C21 | N22 | 115.6° | 109.5° |
| C20 | C21 | H56 | 107.9° | 109.5° |
| C20 | C21 | H55 | 107.9° | 109.5° |
| C21 | N22 | C23 | 118.1° | 120.0° |
| N22 | C21 | H56 | 107.9° | 109.5° |
| N22 | C21 | H55 | 107.9° | 109.4° |
| N22 | C23 | C24 | 118.9° | 120.0° |
| C23 | C24 | N27 | 107.8° | 109.5° |
| C23 | C24 | H57 | 109.9° | 109.4° |
| C23 | C24 | H58 | 109.9° | 109.5° |
| C24 | N27 | C26 | 120.1° | 119.7° |
| C24 | N27 | C28 | 117.5° | 119.7° |
| N27 | C24 | H57 | 109.9° | 109.5° |
| N27 | C24 | H58 | 109.9° | 109.5° |
| O25 | C26 | C31 | 123.5° | 121.3° |
| O25 | C26 | N27 | 120.9° | 121.3° |
| C31 | C26 | N27 | 115.6° | 117.4° |
| C26 | C31 | C30 | 118.5° | 118.1° |
| C26 | C31 | C32 | 121.9° | 121.9° |
| C26 | N27 | C28 | 122.3° | 120.6° |
| N27 | C28 | N29 | 124.1° | 123.4° |
| N27 | C28 | H59 | 118.0° | 118.3° |
| C28 | N29 | C30 | 118.2° | 121.7° |
| N29 | C28 | H59 | 117.9° | 118.3° |
| N29 | C30 | C31 | 121.3° | 118.9° |
| C30 | C31 | C32 | 119.5° | 120.0° |
| C31 | C32 | C33 | 120.3° | 119.3° |
| C31 | C32 | H60 | 119.9° | 120.3° |
| C33 | C32 | H60 | 119.8° | 120.4° |
| H50 | C13 | H51 | 109.5° | 109.5° |
| H50 | C13 | H49 | 109.5° | 109.4° |
| H51 | C13 | H49 | 109.5° | 109.5° |
| H56 | C21 | H55 | 109.4° | 109.5° |
| H57 | C24 | H58 | 109.5° | 109.4° |
| H36 | C2 | H38 | 109.5° | 109.4° |
| H36 | C2 | H37 | 109.4° | 109.5° |
| H38 | C2 | H37 | 109.5° | 109.5° |
| H39 | C4 | H40 | 109.5° | 109.5° |
| H41 | C5 | H42 | 109.5° | 109.8° |
| H43 | C7 | H44 | 109.5° | 109.8° |
| H45 | C8 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | N6 | 178.5° | 180.0° |
| O1 | C3 | N6 | C5 | 167.7° | 0.0° |
| O1 | C3 | N6 | C7 | 1.3° | 180.0° |
| O1 | C3 | C2 | H36 | 0.0° | 90.0° |
| O1 | C3 | C2 | H38 | 120.0° | 150.0° |
| O1 | C3 | C2 | H37 | 120.0° | 30.0° |
| C2 | C3 | N6 | C5 | 10.8° | 180.0° |
| C2 | C3 | N6 | C7 | 179.8° | 0.0° |
| C3 | C2 | H36 | H38 | 120.0° | 120.0° |
| C3 | C2 | H36 | H37 | 120.0° | 120.0° |
| C3 | C2 | H38 | H37 | 120.0° | 120.0° |
| C3 | N6 | C5 | C4 | 109.1° | 128.8° |
| C3 | N6 | C5 | C7 | 169.9° | 180.0° |
| C3 | N6 | C7 | C8 | 111.0° | 128.8° |
| N6 | C3 | C2 | H36 | 178.5° | 90.0° |
| N6 | C3 | C2 | H38 | 61.5° | 30.0° |
| N6 | C3 | C2 | H37 | 58.5° | 150.0° |
| C3 | N6 | C5 | H41 | 130.9° | 111.5° |
| C3 | N6 | C5 | H42 | 10.9° | 9.1° |
| C3 | N6 | C7 | H43 | 129.1° | 111.5° |
| C3 | N6 | C7 | H44 | 9.0° | 9.1° |
| N9 | C4 | C5 | H39 | 119.8° | 120.0° |
| N9 | C4 | C5 | H40 | 119.8° | 119.9° |
| N9 | C4 | C5 | N6 | 57.6° | 53.9° |
| C4 | N9 | C8 | C7 | 56.7° | 63.1° |
| C4 | N9 | C8 | C33 | 129.3° | 124.1° |
| C4 | N9 | C33 | C10 | 175.9° | 0.1° |
| C4 | N9 | C33 | C32 | 4.4° | 180.0° |
| N9 | C4 | H39 | H40 | 120.7° | 120.0° |
| N9 | C4 | C5 | H41 | 62.4° | 65.8° |
| N9 | C4 | C5 | H42 | 177.6° | 173.6° |
| C4 | N9 | C8 | H45 | 176.8° | 176.9° |
| C4 | N9 | C8 | H46 | 63.5° | 56.9° |
| C4 | C5 | N6 | H41 | 120.0° | 119.7° |
| C4 | C5 | N6 | H42 | 120.0° | 119.7° |
| C4 | C5 | N6 | C7 | 60.8° | 51.2° |
| C5 | C4 | N9 | C8 | 56.7° | 63.1° |
| C5 | C4 | N9 | C33 | 178.8° | 172.8° |
| C5 | C4 | H39 | H40 | 120.6° | 120.1° |
| C4 | C5 | H41 | H42 | 120.0° | 120.5° |
| C5 | N6 | C7 | C8 | 59.3° | 51.2° |
| N6 | C5 | C4 | H39 | 177.4° | 66.2° |
| N6 | C5 | C4 | H40 | 62.2° | 173.7° |
| N6 | C5 | H41 | H42 | 120.0° | 120.5° |
| C5 | N6 | C7 | H43 | 60.6° | 68.5° |
| C5 | N6 | C7 | H44 | 179.3° | 170.9° |
| N6 | C7 | C8 | H43 | 120.0° | 119.8° |
| N6 | C7 | C8 | H44 | 120.0° | 119.7° |
| N6 | C7 | C8 | N9 | 55.6° | 53.9° |
| C7 | N6 | C5 | H41 | 59.2° | 68.5° |
| C7 | N6 | C5 | H42 | 179.2° | 170.9° |
| N6 | C7 | H43 | H44 | 120.1° | 120.5° |
| N6 | C7 | C8 | H45 | 175.8° | 173.8° |
| N6 | C7 | C8 | H46 | 64.5° | 66.1° |
| C7 | C8 | N9 | H45 | 120.2° | 120.0° |
| C7 | C8 | N9 | H46 | 120.2° | 120.0° |
| C7 | C8 | N9 | C33 | 174.0° | 172.7° |
| C8 | C7 | H43 | H44 | 120.1° | 120.4° |
| C7 | C8 | H45 | H46 | 119.5° | 120.1° |
| C8 | N9 | C33 | C10 | 56.9° | 124.3° |
| C8 | N9 | C33 | C32 | 122.8° | 55.7° |
| C8 | N9 | C4 | H39 | 176.4° | 56.9° |
| C8 | N9 | C4 | H40 | 63.1° | 177.0° |
| N9 | C8 | C7 | H43 | 64.3° | 65.9° |
| N9 | C8 | C7 | H44 | 175.6° | 173.5° |
| N9 | C8 | H45 | H46 | 119.4° | 120.0° |
| N9 | C33 | C10 | C32 | 179.7° | 179.9° |
| N9 | C33 | C10 | C11 | 178.9° | 180.0° |
| N9 | C33 | C32 | C31 | 178.7° | 180.0° |
| N9 | C33 | C10 | H47 | 1.1° | 0.3° |
| C33 | N9 | C4 | H39 | 59.0° | 67.2° |
| C33 | N9 | C4 | H40 | 61.4° | 52.9° |
| C33 | N9 | C8 | H45 | 53.9° | 52.8° |
| C33 | N9 | C8 | H46 | 65.8° | 67.3° |
| N9 | C33 | C32 | H60 | 1.3° | 0.1° |
| C33 | C10 | C11 | H47 | 180.0° | 179.7° |
| C33 | C10 | C11 | C30 | 0.6° | 0.0° |
| C10 | C33 | C32 | C31 | 1.0° | 0.0° |
| C33 | C10 | C11 | H48 | 179.4° | 180.0° |
| C10 | C33 | C32 | H60 | 179.0° | 179.9° |
| C10 | C11 | C30 | H48 | 180.0° | 180.0° |
| C10 | C11 | C30 | N29 | 174.8° | 180.0° |
| C10 | C11 | C30 | C31 | 1.6° | 0.0° |
| C11 | C10 | C33 | C32 | 0.8° | 0.0° |
| C11 | C30 | C31 | C26 | 179.3° | 180.0° |
| C11 | C30 | N29 | C28 | 177.5° | 180.0° |
| C11 | C30 | N29 | C31 | 176.3° | 180.0° |
| C11 | C30 | C31 | C32 | 1.4° | 0.0° |
| C30 | C11 | C10 | H47 | 179.4° | 179.7° |
| O12 | C23 | N22 | C13 | 175.0° | 180.0° |
| O12 | C23 | N22 | C21 | 0.4° | 0.0° |
| O12 | C23 | N22 | C24 | 177.6° | 180.0° |
| O12 | C23 | C24 | N27 | 21.8° | 0.0° |
| O12 | C23 | C24 | H57 | 98.0° | 120.0° |
| O12 | C23 | C24 | H58 | 141.5° | 120.1° |
| C13 | N22 | C21 | C20 | 111.8° | 90.0° |
| C13 | N22 | C21 | C23 | 174.8° | 179.9° |
| C13 | N22 | C23 | C24 | 2.6° | 0.0° |
| N22 | C13 | H50 | H51 | 120.0° | 120.0° |
| N22 | C13 | H50 | H49 | 120.0° | 120.0° |
| N22 | C13 | H51 | H49 | 120.0° | 120.1° |
| C13 | N22 | C21 | H56 | 127.3° | 30.0° |
| C13 | N22 | C21 | H55 | 9.1° | 150.0° |
| CL14 | C18 | C17 | C16 | 177.8° | 180.0° |
| CL14 | C18 | C17 | C19 | 179.3° | 180.0° |
| CL14 | C18 | C17 | C34 | 0.9° | 0.1° |
| CL14 | C18 | C19 | C20 | 177.3° | 180.0° |
| CL14 | C18 | C19 | H54 | 2.7° | 0.0° |
| C20 | C15 | C16 | H52 | 180.0° | 179.7° |
| C20 | C15 | C16 | C17 | 0.5° | 0.0° |
| C15 | C20 | C19 | C18 | 1.4° | 0.0° |
| C15 | C20 | C19 | C21 | 177.5° | 180.0° |
| C15 | C20 | C21 | N22 | 146.1° | 89.9° |
| C20 | C15 | C16 | H53 | 179.5° | 180.0° |
| C15 | C20 | C19 | H54 | 178.6° | 180.0° |
| C15 | C20 | C21 | H56 | 25.2° | 150.0° |
| C15 | C20 | C21 | H55 | 92.9° | 30.0° |
| C15 | C16 | C17 | H53 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | C34 | 178.9° | 179.9° |
| C16 | C15 | C20 | C19 | 0.2° | 0.1° |
| C16 | C15 | C20 | C21 | 177.4° | 180.0° |
| C16 | C17 | C18 | C34 | 178.7° | 179.9° |
| C16 | C17 | C18 | C19 | 1.4° | 0.0° |
| C16 | C17 | C34 | N35 | 117.0° | 115.0° |
| C17 | C16 | C15 | H52 | 179.5° | 179.7° |
| C17 | C18 | C19 | C20 | 2.0° | 0.0° |
| C18 | C17 | C34 | N35 | 64.3° | 65.1° |
| C18 | C17 | C16 | H53 | 179.9° | 179.9° |
| C17 | C18 | C19 | H54 | 178.0° | 180.0° |
| C34 | C17 | C18 | C19 | 179.9° | 179.9° |
| C34 | C17 | C16 | H53 | 1.1° | 0.0° |
| C18 | C19 | C20 | H54 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 176.1° | 180.0° |
| C19 | C20 | C21 | N22 | 36.2° | 90.0° |
| C19 | C20 | C15 | H52 | 179.9° | 179.7° |
| C19 | C20 | C21 | H56 | 157.1° | 30.0° |
| C19 | C20 | C21 | H55 | 84.8° | 150.0° |
| C20 | C21 | N22 | H56 | 120.9° | 120.0° |
| C20 | C21 | N22 | H55 | 120.9° | 120.0° |
| C20 | C21 | N22 | C23 | 73.4° | 90.0° |
| C21 | C20 | C15 | H52 | 2.6° | 0.3° |
| C21 | C20 | C19 | H54 | 3.9° | 0.0° |
| C20 | C21 | H56 | H55 | 117.2° | 120.0° |
| C21 | N22 | C23 | C24 | 177.2° | 180.0° |
| C21 | N22 | C13 | H50 | 180.0° | 90.0° |
| C21 | N22 | C13 | H51 | 60.0° | 150.0° |
| C21 | N22 | C13 | H49 | 60.0° | 29.9° |
| N22 | C21 | H56 | H55 | 117.2° | 119.9° |
| N22 | C23 | C24 | N27 | 160.7° | 180.0° |
| C23 | N22 | C13 | H50 | 5.5° | 90.1° |
| C23 | N22 | C13 | H51 | 114.5° | 29.9° |
| C23 | N22 | C13 | H49 | 125.5° | 150.0° |
| C23 | N22 | C21 | H56 | 47.5° | 150.0° |
| C23 | N22 | C21 | H55 | 165.7° | 30.0° |
| N22 | C23 | C24 | H57 | 79.5° | 60.0° |
| N22 | C23 | C24 | H58 | 41.0° | 59.9° |
| C23 | C24 | N27 | H57 | 119.7° | 120.0° |
| C23 | C24 | N27 | H58 | 119.7° | 120.0° |
| C23 | C24 | N27 | C26 | 67.6° | 90.0° |
| C23 | C24 | N27 | C28 | 107.4° | 90.0° |
| C23 | C24 | H57 | H58 | 120.7° | 119.9° |
| C24 | N27 | C26 | O25 | 6.0° | 0.0° |
| C24 | N27 | C26 | C31 | 174.4° | 180.0° |
| C24 | N27 | C26 | C28 | 174.8° | 180.0° |
| C24 | N27 | C28 | N29 | 176.4° | 180.0° |
| N27 | C24 | H57 | H58 | 120.8° | 120.0° |
| C24 | N27 | C28 | H59 | 3.6° | 0.0° |
| O25 | C26 | C31 | N27 | 179.6° | 180.0° |
| O25 | C26 | N27 | C28 | 179.2° | 180.0° |
| O25 | C26 | C31 | C30 | 177.2° | 180.0° |
| O25 | C26 | C31 | C32 | 4.9° | 0.0° |
| C31 | C26 | N27 | C28 | 0.4° | 0.0° |
| C26 | C31 | C30 | N29 | 3.0° | 0.1° |
| C26 | C31 | C30 | C32 | 178.0° | 180.0° |
| C26 | C31 | C32 | C33 | 178.0° | 180.0° |
| C26 | C31 | C32 | H60 | 2.0° | 0.1° |
| C26 | N27 | C28 | N29 | 1.5° | 0.0° |
| N27 | C26 | C31 | C30 | 2.5° | 0.0° |
| N27 | C26 | C31 | C32 | 175.5° | 180.0° |
| C26 | N27 | C24 | H57 | 172.6° | 30.0° |
| C26 | N27 | C24 | H58 | 52.1° | 150.0° |
| C26 | N27 | C28 | H59 | 178.5° | 180.0° |
| N27 | C28 | N29 | H59 | 180.0° | 180.0° |
| N27 | C28 | N29 | C30 | 1.0° | 0.0° |
| C28 | N27 | C24 | H57 | 12.3° | 150.0° |
| C28 | N27 | C24 | H58 | 132.9° | 30.0° |
| C28 | N29 | C30 | C31 | 1.2° | 0.0° |
| N29 | C30 | C31 | C32 | 175.0° | 180.0° |
| N29 | C30 | C11 | H48 | 5.2° | 0.0° |
| C30 | N29 | C28 | H59 | 179.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | C11 | H48 | 178.4° | 180.0° |
| C30 | C31 | C32 | H60 | 179.9° | 179.9° |
| C31 | C32 | C33 | H60 | 180.0° | 179.9° |
| C32 | C33 | C10 | H47 | 179.2° | 179.7° |
| H47 | C10 | C11 | H48 | 0.6° | 0.3° |
| H50 | C13 | H51 | H49 | 120.0° | 120.0° |
| H52 | C15 | C16 | H53 | 0.5° | 0.4° |
| H36 | C2 | H38 | H37 | 120.0° | 120.0° |
| H39 | C4 | C5 | H41 | 57.4° | 174.2° |
| H39 | C4 | C5 | H42 | 62.6° | 53.5° |
| H40 | C4 | C5 | H41 | 177.8° | 54.1° |
| H40 | C4 | C5 | H42 | 57.8° | 66.6° |
| H43 | C7 | C8 | H45 | 55.8° | 54.0° |
| H43 | C7 | C8 | H46 | 175.5° | 174.1° |
| H44 | C7 | C8 | H45 | 64.3° | 66.5° |
| H44 | C7 | C8 | H46 | 55.4° | 53.6° |
