XTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL6 | C35 | sing | 1.74Å | 1.74Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| CL3 | C32 | sing | 1.74Å | 1.74Å | |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| O24 | C22 | doub | 1.21Å | 1.31Å | |
| C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C28 | sing | 1.48Å | 1.48Å | |
| C21 | C22 | sing | 1.51Å | 1.49Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | O23 | sing | 1.34Å | 1.21Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | N29 | sing | 1.33Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C25 | C20 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| N29 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| N17 | C26 | sing | 1.47Å | 1.48Å | |
| N17 | C16 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | O12 | sing | 1.36Å | 1.36Å | |
| O12 | C11 | sing | 1.36Å | 1.40Å | |
| C11 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | N39 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | N09 | doub | 1.32Å | 1.34Å | Aromatic |
| N39 | C08 | doub | 1.32Å | 1.34Å | Aromatic |
| N09 | C08 | sing | 1.32Å | 1.34Å | Aromatic |
| C08 | N05 | sing | 1.39Å | 1.36Å | |
| C04 | N05 | sing | 1.47Å | 1.47Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| N05 | C06 | sing | 1.47Å | 1.47Å | |
| C06 | C07 | sing | 1.53Å | 1.51Å | |
| N02 | C03 | sing | 1.47Å | 1.45Å | |
| N02 | C07 | sing | 1.47Å | 1.45Å | |
| N02 | C01 | sing | 1.47Å | 1.46Å | |
| C10 | H51 | sing | 1.08Å | 1.08Å | |
| C14 | H52 | sing | 1.08Å | 1.08Å | |
| C16 | H53 | sing | 1.09Å | 1.10Å | |
| C16 | H54 | sing | 1.09Å | 1.10Å | |
| C18 | H55 | sing | 1.09Å | 1.10Å | |
| C18 | H56 | sing | 1.09Å | 1.10Å | |
| C19 | H57 | sing | 1.09Å | 1.10Å | |
| C19 | H58 | sing | 1.09Å | 1.10Å | |
| C20 | H59 | sing | 1.09Å | 1.10Å | |
| C21 | H60 | sing | 1.09Å | 1.10Å | |
| C21 | H61 | sing | 1.09Å | 1.10Å | |
| C25 | H64 | sing | 1.09Å | 1.10Å | |
| C25 | H63 | sing | 1.09Å | 1.10Å | |
| C26 | H66 | sing | 1.09Å | 1.10Å | |
| C26 | H65 | sing | 1.09Å | 1.10Å | |
| C27 | H67 | sing | 1.08Å | 1.08Å | |
| C31 | H68 | sing | 1.08Å | 1.08Å | |
| C34 | H69 | sing | 1.08Å | 1.08Å | |
| C01 | H42 | sing | 1.09Å | 1.10Å | |
| C01 | H40 | sing | 1.09Å | 1.10Å | |
| C01 | H41 | sing | 1.09Å | 1.10Å | |
| C03 | H43 | sing | 1.09Å | 1.10Å | |
| C03 | H44 | sing | 1.09Å | 1.10Å | |
| C04 | H45 | sing | 1.09Å | 1.10Å | |
| C04 | H46 | sing | 1.09Å | 1.10Å | |
| C06 | H48 | sing | 1.09Å | 1.10Å | |
| C06 | H47 | sing | 1.09Å | 1.10Å | |
| C07 | H50 | sing | 1.09Å | 1.10Å | |
| C07 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H70 | sing | 1.08Å | 1.08Å | |
| C38 | H71 | sing | 1.08Å | 1.08Å | |
| O23 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL6 | C35 | C34 | 119.0° | 120.0° |
| CL6 | C35 | C37 | 118.9° | 119.9° |
| C35 | C34 | C32 | 117.6° | 120.2° |
| C34 | C35 | C37 | 122.1° | 120.1° |
| C35 | C34 | H69 | 121.2° | 119.8° |
| C34 | C32 | CL3 | 118.7° | 119.9° |
| C34 | C32 | C31 | 122.1° | 120.1° |
| C32 | C34 | H69 | 121.2° | 119.9° |
| C35 | C37 | C30 | 119.8° | 119.9° |
| C35 | C37 | H70 | 120.1° | 120.0° |
| CL3 | C32 | C31 | 119.2° | 119.9° |
| C32 | C31 | C30 | 119.4° | 119.9° |
| C32 | C31 | H68 | 120.3° | 120.1° |
| C37 | C30 | C31 | 118.9° | 119.8° |
| C37 | C30 | C28 | 120.0° | 120.1° |
| C30 | C37 | H70 | 120.1° | 120.1° |
| O24 | C22 | C21 | 112.9° | 120.0° |
| O24 | C22 | O23 | 124.0° | 120.0° |
| C31 | C30 | C28 | 121.1° | 120.1° |
| C30 | C31 | H68 | 120.3° | 120.1° |
| C30 | C28 | C27 | 121.7° | 119.7° |
| C30 | C28 | N29 | 116.2° | 119.7° |
| C22 | C21 | C20 | 115.7° | 109.5° |
| C21 | C22 | O23 | 123.1° | 120.0° |
| C22 | C21 | H60 | 107.9° | 109.5° |
| C22 | C21 | H61 | 107.9° | 109.4° |
| C21 | C20 | C19 | 111.0° | 109.5° |
| C21 | C20 | C25 | 111.9° | 109.6° |
| C21 | C20 | H59 | 108.2° | 109.6° |
| C20 | C21 | H60 | 107.9° | 109.5° |
| C20 | C21 | H61 | 107.9° | 109.5° |
| C22 | O23 | H3 | 109.5° | 117.0° |
| C27 | C28 | N29 | 122.0° | 120.6° |
| C28 | C27 | C15 | 119.6° | 119.2° |
| C28 | C27 | H67 | 120.2° | 120.4° |
| C28 | N29 | C13 | 117.4° | 121.5° |
| C20 | C19 | C18 | 111.9° | 109.3° |
| C19 | C20 | C25 | 108.8° | 109.2° |
| C20 | C19 | H57 | 108.8° | 109.5° |
| C20 | C19 | H58 | 108.9° | 109.5° |
| C19 | C20 | H59 | 108.5° | 109.5° |
| C19 | C18 | N17 | 111.7° | 109.5° |
| C19 | C18 | H55 | 108.9° | 109.5° |
| C19 | C18 | H56 | 108.9° | 109.5° |
| C18 | C19 | H57 | 108.8° | 109.5° |
| C18 | C19 | H58 | 108.8° | 109.5° |
| C20 | C25 | C26 | 112.3° | 109.3° |
| C25 | C20 | H59 | 108.4° | 109.5° |
| C20 | C25 | H64 | 108.8° | 109.5° |
| C20 | C25 | H63 | 108.8° | 109.5° |
| C25 | C26 | N17 | 111.7° | 109.5° |
| C26 | C25 | H64 | 108.7° | 109.5° |
| C26 | C25 | H63 | 108.8° | 109.5° |
| C25 | C26 | H66 | 108.9° | 109.5° |
| C25 | C26 | H65 | 108.9° | 109.5° |
| C27 | C15 | C16 | 120.7° | 120.7° |
| C27 | C15 | C14 | 118.7° | 118.5° |
| C15 | C27 | H67 | 120.2° | 120.4° |
| N29 | C13 | C14 | 124.7° | 120.8° |
| N29 | C13 | O12 | 121.6° | 119.6° |
| C18 | N17 | C26 | 109.9° | 111.2° |
| C18 | N17 | C16 | 110.3° | 111.0° |
| N17 | C18 | H55 | 108.9° | 109.4° |
| N17 | C18 | H56 | 108.9° | 109.5° |
| C26 | N17 | C16 | 111.2° | 111.0° |
| N17 | C26 | H66 | 108.9° | 109.4° |
| N17 | C26 | H65 | 108.9° | 109.4° |
| N17 | C16 | C15 | 113.7° | 109.4° |
| N17 | C16 | H53 | 108.4° | 109.5° |
| N17 | C16 | H54 | 108.4° | 109.5° |
| C16 | C15 | C14 | 120.6° | 120.7° |
| C15 | C16 | H53 | 108.4° | 109.5° |
| C15 | C16 | H54 | 108.4° | 109.5° |
| C15 | C14 | C13 | 117.6° | 119.3° |
| C15 | C14 | H52 | 121.2° | 120.3° |
| C14 | C13 | O12 | 113.7° | 119.7° |
| C13 | C14 | H52 | 121.2° | 120.4° |
| C13 | O12 | C11 | 122.7° | 118.0° |
| O12 | C11 | C38 | 120.7° | 120.8° |
| O12 | C11 | C10 | 122.2° | 120.8° |
| C38 | C11 | C10 | 116.9° | 118.4° |
| C11 | C38 | N39 | 122.5° | 119.2° |
| C11 | C38 | H71 | 118.7° | 120.4° |
| C11 | C10 | N09 | 122.4° | 119.1° |
| C11 | C10 | H51 | 118.8° | 120.4° |
| C38 | N39 | C08 | 115.8° | 120.7° |
| N39 | C38 | H71 | 118.7° | 120.4° |
| C10 | N09 | C08 | 115.8° | 120.8° |
| N09 | C10 | H51 | 118.8° | 120.4° |
| N39 | C08 | N09 | 126.5° | 121.7° |
| N39 | C08 | N05 | 116.7° | 119.1° |
| N09 | C08 | N05 | 116.8° | 119.2° |
| C08 | N05 | C04 | 122.7° | 111.0° |
| C08 | N05 | C06 | 122.3° | 111.0° |
| N05 | C04 | C03 | 110.8° | 109.3° |
| C04 | N05 | C06 | 113.8° | 110.9° |
| N05 | C04 | H45 | 109.1° | 109.5° |
| N05 | C04 | H46 | 109.2° | 109.5° |
| C04 | C03 | N02 | 110.5° | 109.4° |
| C04 | C03 | H43 | 109.2° | 109.5° |
| C04 | C03 | H44 | 109.2° | 109.5° |
| C03 | C04 | H45 | 109.1° | 109.5° |
| C03 | C04 | H46 | 109.1° | 109.5° |
| N05 | C06 | C07 | 110.9° | 109.4° |
| N05 | C06 | H48 | 109.1° | 109.5° |
| N05 | C06 | H47 | 109.1° | 109.5° |
| C06 | C07 | N02 | 110.4° | 109.3° |
| C07 | C06 | H48 | 109.1° | 109.5° |
| C07 | C06 | H47 | 109.1° | 109.5° |
| C06 | C07 | H50 | 109.2° | 109.5° |
| C06 | C07 | H49 | 109.2° | 109.5° |
| C03 | N02 | C07 | 108.8° | 110.9° |
| C03 | N02 | C01 | 110.9° | 111.0° |
| N02 | C03 | H43 | 109.2° | 109.5° |
| N02 | C03 | H44 | 109.2° | 109.5° |
| C07 | N02 | C01 | 110.8° | 111.0° |
| N02 | C07 | H50 | 109.2° | 109.5° |
| N02 | C07 | H49 | 109.2° | 109.5° |
| N02 | C01 | H42 | 109.5° | 109.5° |
| N02 | C01 | H40 | 109.5° | 109.5° |
| N02 | C01 | H41 | 109.5° | 109.5° |
| H53 | C16 | H54 | 109.5° | 109.5° |
| H55 | C18 | H56 | 109.4° | 109.4° |
| H57 | C19 | H58 | 109.5° | 109.5° |
| H60 | C21 | H61 | 109.4° | 109.4° |
| H64 | C25 | H63 | 109.5° | 109.5° |
| H66 | C26 | H65 | 109.5° | 109.5° |
| H42 | C01 | H40 | 109.5° | 109.5° |
| H42 | C01 | H41 | 109.5° | 109.4° |
| H40 | C01 | H41 | 109.5° | 109.4° |
| H43 | C03 | H44 | 109.5° | 109.5° |
| H45 | C04 | H46 | 109.5° | 109.5° |
| H48 | C06 | H47 | 109.5° | 109.5° |
| H50 | C07 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL6 | C35 | C34 | C37 | 179.0° | 179.7° |
| CL6 | C35 | C34 | C32 | 179.2° | 180.0° |
| CL6 | C35 | C37 | C30 | 180.0° | 179.7° |
| CL6 | C35 | C34 | H69 | 0.7° | 0.3° |
| CL6 | C35 | C37 | H70 | 0.0° | 0.2° |
| C35 | C34 | C32 | H69 | 180.0° | 179.7° |
| C35 | C34 | C32 | CL3 | 179.7° | 180.0° |
| C35 | C34 | C32 | C31 | 0.2° | 0.1° |
| C34 | C35 | C37 | C30 | 1.0° | 0.5° |
| C34 | C35 | C37 | H70 | 179.0° | 180.0° |
| C32 | C34 | C35 | C37 | 0.3° | 0.3° |
| C34 | C32 | CL3 | C31 | 179.9° | 179.9° |
| C34 | C32 | C31 | C30 | 0.2° | 0.1° |
| C34 | C32 | C31 | H68 | 179.8° | 180.0° |
| C35 | C37 | C30 | H70 | 180.0° | 179.5° |
| C35 | C37 | C30 | C31 | 1.4° | 0.5° |
| C35 | C37 | C30 | C28 | 179.2° | 179.8° |
| C37 | C35 | C34 | H69 | 179.7° | 180.0° |
| CL3 | C32 | C31 | C30 | 179.9° | 180.0° |
| CL3 | C32 | C31 | H68 | 0.1° | 0.1° |
| CL3 | C32 | C34 | H69 | 0.3° | 0.3° |
| C32 | C31 | C30 | C37 | 1.0° | 0.3° |
| C32 | C31 | C30 | H68 | 180.0° | 179.9° |
| C32 | C31 | C30 | C28 | 178.8° | 180.0° |
| C31 | C32 | C34 | H69 | 179.9° | 179.8° |
| C37 | C30 | C31 | C28 | 177.8° | 179.7° |
| C37 | C30 | C28 | C27 | 27.7° | 5.5° |
| C37 | C30 | C28 | N29 | 149.5° | 174.1° |
| C37 | C30 | C31 | H68 | 179.1° | 179.8° |
| O24 | C22 | C21 | O23 | 179.6° | 179.9° |
| O24 | C22 | C21 | C20 | 125.6° | 0.1° |
| O24 | C22 | C21 | H60 | 113.4° | 120.0° |
| O24 | C22 | C21 | H61 | 4.7° | 120.0° |
| O24 | C22 | O23 | H3 | 0.0° | 0.1° |
| C31 | C30 | C28 | C27 | 154.5° | 174.2° |
| C31 | C30 | C28 | N29 | 28.3° | 6.1° |
| C31 | C30 | C37 | H70 | 178.7° | 179.9° |
| C30 | C28 | C27 | N29 | 177.1° | 179.7° |
| C30 | C28 | C27 | C15 | 178.0° | 180.0° |
| C30 | C28 | N29 | C13 | 178.6° | 179.7° |
| C30 | C28 | C27 | H67 | 2.0° | 0.1° |
| C28 | C30 | C31 | H68 | 1.2° | 0.1° |
| C28 | C30 | C37 | H70 | 0.8° | 0.2° |
| C22 | C21 | C20 | H60 | 120.9° | 120.0° |
| C22 | C21 | C20 | H61 | 120.9° | 120.0° |
| C22 | C21 | C20 | C19 | 170.0° | 175.0° |
| C22 | C21 | C20 | C25 | 68.4° | 65.3° |
| C22 | C21 | C20 | H59 | 51.0° | 54.8° |
| C22 | C21 | H60 | H61 | 117.1° | 120.0° |
| C21 | C22 | O23 | H3 | 179.6° | 180.0° |
| C20 | C21 | C22 | O23 | 54.7° | 180.0° |
| C21 | C20 | C19 | C25 | 123.5° | 119.9° |
| C21 | C20 | C19 | H59 | 118.8° | 120.2° |
| C21 | C20 | C19 | C18 | 176.7° | 177.6° |
| C21 | C20 | C25 | H59 | 119.3° | 120.2° |
| C21 | C20 | C25 | C26 | 175.2° | 177.6° |
| C21 | C20 | C19 | H57 | 63.0° | 57.7° |
| C21 | C20 | C19 | H58 | 56.4° | 62.4° |
| C20 | C21 | H60 | H61 | 117.2° | 120.0° |
| C21 | C20 | C25 | H64 | 54.8° | 57.6° |
| C21 | C20 | C25 | H63 | 64.3° | 62.5° |
| O23 | C22 | C21 | H60 | 66.2° | 59.9° |
| O23 | C22 | C21 | H61 | 175.7° | 60.0° |
| C28 | C27 | C15 | H67 | 180.0° | 179.9° |
| C27 | C28 | N29 | C13 | 1.4° | 0.6° |
| C28 | C27 | C15 | C16 | 179.4° | 180.0° |
| C28 | C27 | C15 | C14 | 0.3° | 0.0° |
| N29 | C28 | C27 | C15 | 1.0° | 0.3° |
| C28 | N29 | C13 | C14 | 1.1° | 0.6° |
| C28 | N29 | C13 | O12 | 179.6° | 179.8° |
| N29 | C28 | C27 | H67 | 179.0° | 179.8° |
| C20 | C19 | C18 | H57 | 120.4° | 120.0° |
| C20 | C19 | C18 | H58 | 120.4° | 120.0° |
| C19 | C20 | C25 | H59 | 117.8° | 119.9° |
| C19 | C20 | C25 | C26 | 52.3° | 57.7° |
| C20 | C19 | C18 | N17 | 57.9° | 59.1° |
| C20 | C19 | C18 | H55 | 62.5° | 60.9° |
| C20 | C19 | C18 | H56 | 178.2° | 179.2° |
| C20 | C19 | H57 | H58 | 118.9° | 120.1° |
| C19 | C20 | C21 | H60 | 49.1° | 65.0° |
| C19 | C20 | C21 | H61 | 69.1° | 55.0° |
| C19 | C20 | C25 | H64 | 68.1° | 62.3° |
| C19 | C20 | C25 | H63 | 172.7° | 177.6° |
| C18 | C19 | C20 | C25 | 53.2° | 57.7° |
| C19 | C18 | N17 | H55 | 120.3° | 120.0° |
| C19 | C18 | N17 | H56 | 120.4° | 120.1° |
| C19 | C18 | N17 | C26 | 58.6° | 61.7° |
| C19 | C18 | N17 | C16 | 178.5° | 174.2° |
| C19 | C18 | H55 | H56 | 119.0° | 120.0° |
| C18 | C19 | H57 | H58 | 118.9° | 120.1° |
| C18 | C19 | C20 | H59 | 64.5° | 62.3° |
| C20 | C25 | C26 | H64 | 120.4° | 119.9° |
| C20 | C25 | C26 | H63 | 120.4° | 119.9° |
| C20 | C25 | C26 | N17 | 55.7° | 59.2° |
| C25 | C20 | C19 | H57 | 173.6° | 62.3° |
| C25 | C20 | C19 | H58 | 67.1° | 177.6° |
| C25 | C20 | C21 | H60 | 170.7° | 54.7° |
| C25 | C20 | C21 | H61 | 52.6° | 174.7° |
| C20 | C25 | H64 | H63 | 118.7° | 120.1° |
| C20 | C25 | C26 | H66 | 176.0° | 179.2° |
| C20 | C25 | C26 | H65 | 64.6° | 60.8° |
| C25 | C26 | N17 | C18 | 57.4° | 61.7° |
| C25 | C26 | N17 | H66 | 120.3° | 120.0° |
| C25 | C26 | N17 | H65 | 120.3° | 120.0° |
| C25 | C26 | N17 | C16 | 179.9° | 174.2° |
| C26 | C25 | C20 | H59 | 65.5° | 62.2° |
| C26 | C25 | H64 | H63 | 118.7° | 120.1° |
| C25 | C26 | H66 | H65 | 118.9° | 120.0° |
| C27 | C15 | C16 | N17 | 75.9° | 90.0° |
| C27 | C15 | C16 | C14 | 179.6° | 180.0° |
| C27 | C15 | C14 | C13 | 0.0° | 0.0° |
| C27 | C15 | C14 | H52 | 180.0° | 179.9° |
| C27 | C15 | C16 | H53 | 163.4° | 30.0° |
| C27 | C15 | C16 | H54 | 44.7° | 150.0° |
| N29 | C13 | C14 | C15 | 0.4° | 0.3° |
| N29 | C13 | C14 | O12 | 178.6° | 179.7° |
| N29 | C13 | O12 | C11 | 21.6° | 5.6° |
| N29 | C13 | C14 | H52 | 179.6° | 179.8° |
| C18 | N17 | C26 | C16 | 122.4° | 124.1° |
| C18 | N17 | C16 | C15 | 170.6° | 170.0° |
| C18 | N17 | C16 | H53 | 68.7° | 50.0° |
| C18 | N17 | C16 | H54 | 50.0° | 70.0° |
| N17 | C18 | H55 | H56 | 119.0° | 120.0° |
| N17 | C18 | C19 | H57 | 178.2° | 60.8° |
| N17 | C18 | C19 | H58 | 62.5° | 179.1° |
| C18 | N17 | C26 | H66 | 177.8° | 178.2° |
| C18 | N17 | C26 | H65 | 62.9° | 58.3° |
| C26 | N17 | C16 | C15 | 67.2° | 65.8° |
| C26 | N17 | C16 | H53 | 53.5° | 174.2° |
| C26 | N17 | C16 | H54 | 172.2° | 54.2° |
| C26 | N17 | C18 | H55 | 61.8° | 58.3° |
| C26 | N17 | C18 | H56 | 178.9° | 178.2° |
| N17 | C26 | C25 | H64 | 64.7° | 60.8° |
| N17 | C26 | C25 | H63 | 176.1° | 179.1° |
| N17 | C26 | H66 | H65 | 119.0° | 119.9° |
| N17 | C16 | C15 | H53 | 120.7° | 120.0° |
| N17 | C16 | C15 | H54 | 120.6° | 120.0° |
| N17 | C16 | C15 | C14 | 104.5° | 90.0° |
| N17 | C16 | H53 | H54 | 118.1° | 120.0° |
| C16 | N17 | C18 | H55 | 61.1° | 65.8° |
| C16 | N17 | C18 | H56 | 58.2° | 54.1° |
| C16 | N17 | C26 | H66 | 59.8° | 54.1° |
| C16 | N17 | C26 | H65 | 59.6° | 65.8° |
| C16 | C15 | C14 | C13 | 179.7° | 180.0° |
| C16 | C15 | C14 | H52 | 0.4° | 0.1° |
| C15 | C16 | H53 | H54 | 118.0° | 120.0° |
| C16 | C15 | C27 | H67 | 0.6° | 0.1° |
| C15 | C14 | C13 | H52 | 180.0° | 179.9° |
| C15 | C14 | C13 | O12 | 179.0° | 180.0° |
| C14 | C15 | C16 | H53 | 16.2° | 150.0° |
| C14 | C15 | C16 | H54 | 134.9° | 30.0° |
| C14 | C15 | C27 | H67 | 179.8° | 179.9° |
| C14 | C13 | O12 | C11 | 159.7° | 174.1° |
| C13 | O12 | C11 | C38 | 138.2° | 70.0° |
| C13 | O12 | C11 | C10 | 46.6° | 109.9° |
| O12 | C13 | C14 | H52 | 1.0° | 0.1° |
| O12 | C11 | C38 | C10 | 175.5° | 179.9° |
| O12 | C11 | C38 | N39 | 177.7° | 180.0° |
| O12 | C11 | C10 | N09 | 176.4° | 179.9° |
| O12 | C11 | C10 | H51 | 3.6° | 0.3° |
| O12 | C11 | C38 | H71 | 2.3° | 0.0° |
| C11 | C38 | N39 | H71 | 180.0° | 180.0° |
| C38 | C11 | C10 | N09 | 1.0° | 0.0° |
| C11 | C38 | N39 | C08 | 1.7° | 0.4° |
| C38 | C11 | C10 | H51 | 179.0° | 179.8° |
| C10 | C11 | C38 | N39 | 2.2° | 0.0° |
| C11 | C10 | N09 | H51 | 180.0° | 179.8° |
| C11 | C10 | N09 | C08 | 0.6° | 0.2° |
| C10 | C11 | C38 | H71 | 177.8° | 180.0° |
| C38 | N39 | C08 | N09 | 0.0° | 0.6° |
| C38 | N39 | C08 | N05 | 178.6° | 180.0° |
| C10 | N09 | C08 | N39 | 1.2° | 0.6° |
| C10 | N09 | C08 | N05 | 179.7° | 179.9° |
| N39 | C08 | N09 | N05 | 178.5° | 179.4° |
| N39 | C08 | N05 | C04 | 10.8° | 0.6° |
| N39 | C08 | N05 | C06 | 178.1° | 124.4° |
| C08 | N39 | C38 | H71 | 178.3° | 179.7° |
| N09 | C08 | N05 | C04 | 170.5° | 180.0° |
| N09 | C08 | N05 | C06 | 3.2° | 56.2° |
| C08 | N09 | C10 | H51 | 179.4° | 180.0° |
| C08 | N05 | C04 | C06 | 168.3° | 123.9° |
| C08 | N05 | C04 | C03 | 142.5° | 176.8° |
| C08 | N05 | C06 | C07 | 142.3° | 176.8° |
| C08 | N05 | C04 | H45 | 97.3° | 56.8° |
| C08 | N05 | C04 | H46 | 22.3° | 63.2° |
| C08 | N05 | C06 | H48 | 22.0° | 63.2° |
| C08 | N05 | C06 | H47 | 97.5° | 56.9° |
| N05 | C04 | C03 | H45 | 120.2° | 120.0° |
| N05 | C04 | C03 | H46 | 120.2° | 120.0° |
| C04 | N05 | C06 | C07 | 49.4° | 59.3° |
| N05 | C04 | C03 | N02 | 55.5° | 58.4° |
| N05 | C04 | C03 | H43 | 175.6° | 178.3° |
| N05 | C04 | C03 | H44 | 64.7° | 61.6° |
| N05 | C04 | H45 | H46 | 119.4° | 120.0° |
| C04 | N05 | C06 | H48 | 169.6° | 60.7° |
| C04 | N05 | C06 | H47 | 70.8° | 179.3° |
| C03 | C04 | N05 | C06 | 49.2° | 59.3° |
| C04 | C03 | N02 | H43 | 120.2° | 119.9° |
| C04 | C03 | N02 | H44 | 120.1° | 120.0° |
| C04 | C03 | N02 | C07 | 62.7° | 59.3° |
| C04 | C03 | N02 | C01 | 175.2° | 176.8° |
| C04 | C03 | H43 | H44 | 119.5° | 120.1° |
| C03 | C04 | H45 | H46 | 119.4° | 120.1° |
| N05 | C06 | C07 | H48 | 120.2° | 120.0° |
| N05 | C06 | C07 | H47 | 120.2° | 120.0° |
| N05 | C06 | C07 | N02 | 55.8° | 58.4° |
| C06 | N05 | C04 | H45 | 71.0° | 179.3° |
| C06 | N05 | C04 | H46 | 169.4° | 60.7° |
| N05 | C06 | H48 | H47 | 119.4° | 120.1° |
| N05 | C06 | C07 | H50 | 64.3° | 61.5° |
| N05 | C06 | C07 | H49 | 176.0° | 178.4° |
| C06 | C07 | N02 | C03 | 62.8° | 59.3° |
| C06 | C07 | N02 | H50 | 120.1° | 120.0° |
| C06 | C07 | N02 | H49 | 120.1° | 120.0° |
| C06 | C07 | N02 | C01 | 175.1° | 176.8° |
| C07 | C06 | H48 | H47 | 119.3° | 120.0° |
| C06 | C07 | H50 | H49 | 119.5° | 120.1° |
| C03 | N02 | C07 | C01 | 122.1° | 123.9° |
| C03 | N02 | C01 | H42 | 180.0° | 59.9° |
| C03 | N02 | C01 | H40 | 60.0° | 180.0° |
| C03 | N02 | C01 | H41 | 60.0° | 60.0° |
| N02 | C03 | H43 | H44 | 119.5° | 120.1° |
| N02 | C03 | C04 | H45 | 64.7° | 178.4° |
| N02 | C03 | C04 | H46 | 175.7° | 61.5° |
| C03 | N02 | C07 | H50 | 57.4° | 60.7° |
| C03 | N02 | C07 | H49 | 177.1° | 179.3° |
| C07 | N02 | C01 | H42 | 59.1° | 63.9° |
| C07 | N02 | C01 | H40 | 179.1° | 56.2° |
| C07 | N02 | C01 | H41 | 60.9° | 176.2° |
| C07 | N02 | C03 | H43 | 177.1° | 179.3° |
| C07 | N02 | C03 | H44 | 57.5° | 60.7° |
| N02 | C07 | C06 | H48 | 176.0° | 61.6° |
| N02 | C07 | C06 | H47 | 64.4° | 178.4° |
| N02 | C07 | H50 | H49 | 119.6° | 120.0° |
| N02 | C01 | H42 | H40 | 120.0° | 120.1° |
| N02 | C01 | H42 | H41 | 120.0° | 120.0° |
| N02 | C01 | H40 | H41 | 120.0° | 120.0° |
| C01 | N02 | C03 | H43 | 55.1° | 56.9° |
| C01 | N02 | C03 | H44 | 64.6° | 63.2° |
| C01 | N02 | C07 | H50 | 64.8° | 63.2° |
| C01 | N02 | C07 | H49 | 55.0° | 56.8° |
| H55 | C18 | C19 | H57 | 57.9° | 179.2° |
| H55 | C18 | C19 | H58 | 177.2° | 59.1° |
| H56 | C18 | C19 | H57 | 61.4° | 59.3° |
| H56 | C18 | C19 | H58 | 57.9° | 60.8° |
| H57 | C19 | C20 | H59 | 55.8° | 177.8° |
| H58 | C19 | C20 | H59 | 175.1° | 57.7° |
| H59 | C20 | C21 | H60 | 69.9° | 174.9° |
| H59 | C20 | C21 | H61 | 172.0° | 65.1° |
| H59 | C20 | C25 | H64 | 174.1° | 177.8° |
| H59 | C20 | C25 | H63 | 54.9° | 57.7° |
| H64 | C25 | C26 | H66 | 55.6° | 59.3° |
| H64 | C25 | C26 | H65 | 174.9° | 179.3° |
| H63 | C25 | C26 | H66 | 63.6° | 60.9° |
| H63 | C25 | C26 | H65 | 55.8° | 59.1° |
| H42 | C01 | H40 | H41 | 120.0° | 119.9° |
| H43 | C03 | C04 | H45 | 55.4° | 61.7° |
| H43 | C03 | C04 | H46 | 64.2° | 58.4° |
| H44 | C03 | C04 | H45 | 175.1° | 58.4° |
| H44 | C03 | C04 | H46 | 55.5° | 178.4° |
| H48 | C06 | C07 | H50 | 55.9° | 178.4° |
| H48 | C06 | C07 | H49 | 63.8° | 58.4° |
| H47 | C06 | C07 | H50 | 175.5° | 58.4° |
| H47 | C06 | C07 | H49 | 55.7° | 61.6° |
