QDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C40 | sing | 1.53Å | 1.47Å | |
| C40 | C41 | sing | 1.53Å | 1.46Å | |
| C40 | N39 | sing | 1.47Å | 1.33Å | |
| N39 | N44 | sing | 1.40Å | 1.43Å | |
| N39 | C38 | sing | 1.35Å | 1.47Å | |
| N44 | C45 | doub | 1.29Å | 1.45Å | |
| O46 | C38 | doub | 1.22Å | 1.19Å | |
| C38 | N37 | sing | 1.35Å | 1.44Å | |
| C45 | N37 | sing | 1.37Å | 1.43Å | |
| N37 | C36 | sing | 1.40Å | 1.45Å | |
| BR32 | C31 | sing | 1.89Å | 1.94Å | |
| C33 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | N29 | sing | 1.47Å | 1.46Å | |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | N29 | sing | 1.40Å | 1.44Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C48 | N26 | sing | 1.47Å | 1.45Å | |
| N29 | C28 | sing | 1.47Å | 1.47Å | |
| N26 | C23 | sing | 1.40Å | 1.44Å | |
| N26 | C27 | sing | 1.47Å | 1.45Å | |
| C18 | O19 | sing | 1.43Å | 1.42Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | O19 | sing | 1.36Å | 1.41Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| O16 | C17 | sing | 1.44Å | 1.56Å | |
| O16 | C09 | sing | 1.43Å | 1.20Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| C17 | C49 | sing | 1.55Å | 1.21Å | |
| C22 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | O50 | sing | 1.44Å | 1.46Å | |
| C09 | C03 | sing | 1.51Å | 1.61Å | |
| C49 | O50 | sing | 1.45Å | 1.44Å | |
| N11 | N12 | sing | 1.40Å | 1.35Å | Aromatic |
| N11 | C15 | sing | 1.34Å | 1.32Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | C13 | doub | 1.31Å | 1.32Å | Aromatic |
| C15 | N14 | doub | 1.31Å | 1.34Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N14 | sing | 1.33Å | 1.34Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.78Å | |
| C02 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | CL07 | sing | 1.74Å | 1.78Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.08Å | 1.08Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C41 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C43 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C45 | H31 | sing | 1.08Å | 1.08Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C48 | H34 | sing | 1.09Å | 1.10Å | |
| C48 | H35 | sing | 1.09Å | 1.10Å | |
| C49 | H36 | sing | 1.09Å | 1.10Å | |
| C49 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C42 | C40 | 109.7° | 109.5° |
| C43 | C42 | H26 | 109.4° | 109.5° |
| C43 | C42 | H27 | 109.4° | 109.5° |
| C42 | C43 | H28 | 109.5° | 109.4° |
| C42 | C43 | H29 | 109.5° | 109.4° |
| C42 | C43 | H30 | 109.5° | 109.5° |
| C42 | C40 | C41 | 109.2° | 109.5° |
| C42 | C40 | N39 | 112.2° | 109.5° |
| C42 | C40 | H22 | 106.9° | 109.4° |
| C40 | C42 | H26 | 109.4° | 109.5° |
| C40 | C42 | H27 | 109.4° | 109.4° |
| C41 | C40 | N39 | 112.5° | 109.5° |
| C41 | C40 | H22 | 107.0° | 109.5° |
| C40 | C41 | H23 | 109.5° | 109.4° |
| C40 | C41 | H24 | 109.4° | 109.5° |
| C40 | C41 | H25 | 109.5° | 109.5° |
| C40 | N39 | N44 | 125.5° | 126.3° |
| C40 | N39 | C38 | 127.7° | 126.3° |
| N39 | C40 | H22 | 108.7° | 109.5° |
| N44 | N39 | C38 | 106.8° | 107.3° |
| N39 | N44 | C45 | 109.4° | 108.1° |
| N39 | C38 | O46 | 127.1° | 126.3° |
| N39 | C38 | N37 | 107.7° | 107.4° |
| N44 | C45 | N37 | 107.3° | 108.9° |
| N44 | C45 | H31 | 126.3° | 125.6° |
| O46 | C38 | N37 | 125.1° | 126.3° |
| C38 | N37 | C45 | 108.8° | 108.3° |
| C38 | N37 | C36 | 127.2° | 125.8° |
| C45 | N37 | C36 | 124.0° | 125.9° |
| N37 | C45 | H31 | 126.4° | 125.6° |
| N37 | C36 | C33 | 116.7° | 120.0° |
| N37 | C36 | C35 | 122.2° | 120.0° |
| BR32 | C31 | C33 | 117.3° | 120.0° |
| BR32 | C31 | C30 | 123.7° | 120.1° |
| C36 | C33 | C31 | 120.2° | 120.0° |
| C33 | C36 | C35 | 121.1° | 120.0° |
| C36 | C33 | H19 | 119.9° | 120.0° |
| C33 | C31 | C30 | 119.0° | 120.0° |
| C31 | C33 | H19 | 119.9° | 120.0° |
| C36 | C35 | C34 | 119.0° | 120.0° |
| C36 | C35 | H21 | 120.5° | 120.0° |
| C31 | C30 | C34 | 121.1° | 120.0° |
| C31 | C30 | N29 | 120.0° | 120.0° |
| C48 | C47 | N29 | 114.5° | 109.4° |
| C47 | C48 | N26 | 110.2° | 109.4° |
| C48 | C47 | H32 | 108.2° | 109.5° |
| C48 | C47 | H33 | 108.2° | 109.5° |
| C47 | C48 | H34 | 109.3° | 109.5° |
| C47 | C48 | H35 | 109.3° | 109.5° |
| C47 | N29 | C30 | 115.4° | 111.1° |
| C47 | N29 | C28 | 117.9° | 110.8° |
| N29 | C47 | H32 | 108.2° | 109.5° |
| N29 | C47 | H33 | 108.2° | 109.5° |
| C35 | C34 | C30 | 119.5° | 120.0° |
| C35 | C34 | H20 | 120.2° | 120.0° |
| C34 | C35 | H21 | 120.5° | 120.0° |
| C34 | C30 | N29 | 118.8° | 120.0° |
| C30 | C34 | H20 | 120.2° | 120.0° |
| C30 | N29 | C28 | 119.8° | 111.0° |
| C25 | C24 | C23 | 119.3° | 120.0° |
| C24 | C25 | C20 | 119.3° | 120.0° |
| C25 | C24 | H13 | 120.3° | 120.0° |
| C24 | C25 | H14 | 120.4° | 120.0° |
| C24 | C23 | N26 | 122.4° | 120.0° |
| C24 | C23 | C22 | 121.3° | 120.0° |
| C23 | C24 | H13 | 120.4° | 120.0° |
| C25 | C20 | O19 | 120.4° | 120.0° |
| C25 | C20 | C21 | 119.9° | 120.1° |
| C20 | C25 | H14 | 120.4° | 119.9° |
| C48 | N26 | C23 | 113.7° | 111.0° |
| C48 | N26 | C27 | 108.1° | 110.9° |
| N26 | C48 | H34 | 109.3° | 109.5° |
| N26 | C48 | H35 | 109.3° | 109.5° |
| N29 | C28 | C27 | 116.7° | 109.4° |
| N29 | C28 | H17 | 107.6° | 109.5° |
| N29 | C28 | H18 | 107.6° | 109.5° |
| C23 | N26 | C27 | 119.5° | 111.0° |
| N26 | C23 | C22 | 116.2° | 120.0° |
| N26 | C27 | C28 | 113.3° | 109.4° |
| N26 | C27 | H15 | 108.5° | 109.5° |
| N26 | C27 | H16 | 108.5° | 109.4° |
| O19 | C18 | C17 | 110.9° | 109.5° |
| C18 | O19 | C20 | 111.7° | 117.0° |
| O19 | C18 | H6 | 109.1° | 109.5° |
| O19 | C18 | H7 | 109.1° | 109.5° |
| C18 | C17 | O16 | 113.1° | 110.8° |
| C18 | C17 | C49 | 116.0° | 110.7° |
| C18 | C17 | H5 | 107.4° | 110.6° |
| C17 | C18 | H6 | 109.1° | 109.5° |
| C17 | C18 | H7 | 109.1° | 109.4° |
| C23 | C22 | C21 | 119.2° | 120.0° |
| C23 | C22 | H12 | 120.4° | 120.0° |
| O19 | C20 | C21 | 119.6° | 119.9° |
| C20 | C21 | C22 | 120.9° | 120.0° |
| C20 | C21 | H11 | 119.6° | 120.0° |
| C17 | O16 | C09 | 105.5° | 107.3° |
| O16 | C17 | C49 | 101.1° | 103.1° |
| O16 | C17 | H5 | 106.8° | 110.7° |
| O16 | C09 | C10 | 110.2° | 109.6° |
| O16 | C09 | O50 | 102.0° | 108.8° |
| O16 | C09 | C03 | 110.8° | 109.5° |
| C28 | C27 | H15 | 108.5° | 109.5° |
| C28 | C27 | H16 | 108.5° | 109.5° |
| C27 | C28 | H17 | 107.7° | 109.5° |
| C27 | C28 | H18 | 107.6° | 109.5° |
| C09 | C10 | N11 | 113.9° | 109.4° |
| C10 | C09 | O50 | 109.6° | 109.6° |
| C10 | C09 | C03 | 115.8° | 109.7° |
| C09 | C10 | H1 | 108.3° | 109.4° |
| C09 | C10 | H2 | 108.4° | 109.5° |
| C10 | N11 | N12 | 126.7° | 126.8° |
| C10 | N11 | C15 | 125.6° | 126.8° |
| N11 | C10 | H1 | 108.4° | 109.5° |
| N11 | C10 | H2 | 108.3° | 109.5° |
| C17 | C49 | O50 | 108.1° | 101.7° |
| C49 | C17 | H5 | 112.0° | 110.7° |
| C17 | C49 | H36 | 109.8° | 111.0° |
| C17 | C49 | H37 | 109.8° | 111.0° |
| C22 | C21 | H11 | 119.5° | 120.0° |
| C21 | C22 | H12 | 120.4° | 120.0° |
| O50 | C09 | C03 | 107.5° | 109.7° |
| C09 | O50 | C49 | 104.9° | 104.8° |
| C09 | C03 | C04 | 118.3° | 120.0° |
| C09 | C03 | C02 | 123.4° | 120.0° |
| O50 | C49 | H36 | 109.8° | 111.0° |
| O50 | C49 | H37 | 109.8° | 110.9° |
| N12 | N11 | C15 | 107.7° | 106.4° |
| N11 | N12 | C13 | 108.2° | 106.8° |
| N11 | C15 | N14 | 108.1° | 108.1° |
| N11 | C15 | H4 | 125.9° | 125.9° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C04 | C03 | C02 | 118.2° | 120.0° |
| C03 | C04 | H8 | 120.0° | 120.0° |
| C04 | C05 | C06 | 121.4° | 120.1° |
| C05 | C04 | H8 | 120.0° | 120.0° |
| C04 | C05 | H9 | 119.3° | 119.9° |
| N12 | C13 | N14 | 107.8° | 109.0° |
| N12 | C13 | H3 | 126.1° | 125.5° |
| C15 | N14 | C13 | 108.1° | 109.8° |
| N14 | C15 | H4 | 125.9° | 126.0° |
| C03 | C02 | CL01 | 125.5° | 120.0° |
| C03 | C02 | C08 | 120.4° | 120.0° |
| C05 | C06 | C08 | 119.2° | 119.9° |
| C05 | C06 | CL07 | 121.0° | 120.0° |
| C06 | C05 | H9 | 119.3° | 120.0° |
| N14 | C13 | H3 | 126.1° | 125.6° |
| CL01 | C02 | C08 | 114.0° | 120.0° |
| C02 | C08 | C06 | 120.7° | 120.0° |
| C02 | C08 | H10 | 119.7° | 120.0° |
| C08 | C06 | CL07 | 119.8° | 120.0° |
| C06 | C08 | H10 | 119.6° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.5° |
| H23 | C41 | H24 | 109.4° | 109.5° |
| H23 | C41 | H25 | 109.5° | 109.5° |
| H24 | C41 | H25 | 109.5° | 109.5° |
| H26 | C42 | H27 | 109.5° | 109.5° |
| H28 | C43 | H29 | 109.5° | 109.5° |
| H28 | C43 | H30 | 109.5° | 109.5° |
| H29 | C43 | H30 | 109.5° | 109.5° |
| H32 | C47 | H33 | 109.5° | 109.4° |
| H34 | C48 | H35 | 109.4° | 109.5° |
| H36 | C49 | H37 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C42 | C40 | H26 | 120.0° | 120.0° |
| C43 | C42 | C40 | H27 | 120.0° | 120.0° |
| C43 | C42 | C40 | C41 | 90.7° | 175.0° |
| C43 | C42 | C40 | N39 | 143.8° | 65.0° |
| C43 | C42 | C40 | H22 | 24.8° | 55.0° |
| C43 | C42 | H26 | H27 | 119.9° | 120.0° |
| C42 | C43 | H28 | H29 | 120.0° | 120.0° |
| C42 | C43 | H28 | H30 | 120.0° | 120.0° |
| C42 | C43 | H29 | H30 | 120.0° | 120.0° |
| C42 | C40 | C41 | N39 | 125.3° | 120.0° |
| C42 | C40 | C41 | H22 | 115.4° | 120.0° |
| C42 | C40 | N39 | H22 | 118.0° | 120.0° |
| C42 | C40 | N39 | N44 | 11.2° | 60.0° |
| C42 | C40 | N39 | C38 | 170.8° | 119.7° |
| C42 | C40 | C41 | H23 | 180.0° | 60.0° |
| C42 | C40 | C41 | H24 | 60.0° | 180.0° |
| C42 | C40 | C41 | H25 | 60.0° | 60.0° |
| C40 | C42 | H26 | H27 | 119.9° | 120.0° |
| C40 | C42 | C43 | H28 | 180.0° | 60.0° |
| C40 | C42 | C43 | H29 | 60.0° | 60.0° |
| C40 | C42 | C43 | H30 | 60.0° | 180.0° |
| C41 | C40 | N39 | H22 | 118.4° | 120.0° |
| C41 | C40 | N39 | N44 | 134.9° | 60.0° |
| C41 | C40 | N39 | C38 | 47.2° | 120.3° |
| C40 | C41 | H23 | H24 | 120.0° | 120.0° |
| C40 | C41 | H23 | H25 | 120.0° | 120.0° |
| C40 | C41 | H24 | H25 | 120.0° | 120.0° |
| C41 | C40 | C42 | H26 | 149.2° | 55.0° |
| C41 | C40 | C42 | H27 | 29.3° | 65.0° |
| C40 | N39 | N44 | C38 | 178.3° | 179.7° |
| C40 | N39 | N44 | C45 | 179.1° | 180.0° |
| C40 | N39 | C38 | O46 | 1.7° | 0.3° |
| C40 | N39 | C38 | N37 | 179.4° | 179.7° |
| N39 | C40 | C41 | H23 | 54.7° | 180.0° |
| N39 | C40 | C41 | H24 | 65.3° | 60.0° |
| N39 | C40 | C41 | H25 | 174.7° | 60.0° |
| N39 | C40 | C42 | H26 | 23.7° | 175.0° |
| N39 | C40 | C42 | H27 | 96.2° | 55.0° |
| N44 | N39 | C38 | O46 | 180.0° | 180.0° |
| N44 | N39 | C38 | N37 | 1.2° | 0.0° |
| N39 | N44 | C45 | N37 | 0.2° | 0.5° |
| N44 | N39 | C40 | H22 | 106.7° | 180.0° |
| N39 | N44 | C45 | H31 | 179.8° | 180.0° |
| C38 | N39 | N44 | C45 | 0.8° | 0.3° |
| N39 | C38 | O46 | N37 | 178.7° | 180.0° |
| N39 | C38 | N37 | C45 | 1.1° | 0.3° |
| N39 | C38 | N37 | C36 | 179.8° | 180.0° |
| C38 | N39 | C40 | H22 | 71.2° | 0.3° |
| N44 | C45 | N37 | C38 | 0.6° | 0.5° |
| N44 | C45 | N37 | H31 | 180.0° | 179.5° |
| N44 | C45 | N37 | C36 | 179.3° | 179.8° |
| O46 | C38 | N37 | C45 | 180.0° | 179.7° |
| O46 | C38 | N37 | C36 | 1.4° | 0.0° |
| C38 | N37 | C45 | C36 | 178.7° | 179.7° |
| C38 | N37 | C36 | C33 | 126.9° | 180.0° |
| C38 | N37 | C36 | C35 | 53.8° | 0.3° |
| C38 | N37 | C45 | H31 | 179.4° | 180.0° |
| C45 | N37 | C36 | C33 | 51.6° | 0.3° |
| C45 | N37 | C36 | C35 | 127.7° | 179.4° |
| N37 | C36 | C33 | C35 | 179.3° | 179.7° |
| N37 | C36 | C33 | C31 | 179.7° | 180.0° |
| N37 | C36 | C35 | C34 | 179.7° | 179.7° |
| N37 | C36 | C33 | H19 | 0.3° | 0.1° |
| N37 | C36 | C35 | H21 | 0.3° | 0.3° |
| C36 | N37 | C45 | H31 | 0.7° | 0.3° |
| BR32 | C31 | C33 | C36 | 179.8° | 179.9° |
| BR32 | C31 | C33 | C30 | 179.7° | 179.9° |
| BR32 | C31 | C30 | C34 | 179.6° | 180.0° |
| BR32 | C31 | C30 | N29 | 1.0° | 0.2° |
| BR32 | C31 | C33 | H19 | 0.3° | 0.0° |
| C36 | C33 | C31 | H19 | 180.0° | 179.9° |
| C36 | C33 | C31 | C30 | 0.5° | 0.0° |
| C33 | C36 | C35 | C34 | 0.4° | 0.6° |
| C33 | C36 | C35 | H21 | 179.6° | 180.0° |
| C31 | C33 | C36 | C35 | 0.4° | 0.3° |
| C33 | C31 | C30 | C34 | 0.7° | 0.0° |
| C33 | C31 | C30 | N29 | 179.3° | 179.7° |
| C36 | C35 | C34 | H21 | 180.0° | 179.4° |
| C36 | C35 | C34 | C30 | 0.6° | 0.5° |
| C35 | C36 | C33 | H19 | 179.6° | 179.8° |
| C36 | C35 | C34 | H20 | 179.4° | 179.4° |
| C31 | C30 | N29 | C47 | 76.4° | 116.4° |
| C31 | C30 | C34 | C35 | 0.7° | 0.2° |
| C31 | C30 | C34 | N29 | 178.7° | 179.8° |
| C31 | C30 | N29 | C28 | 74.0° | 119.7° |
| C30 | C31 | C33 | H19 | 179.5° | 179.9° |
| C31 | C30 | C34 | H20 | 179.3° | 179.7° |
| C48 | C47 | N29 | H32 | 120.7° | 120.0° |
| C48 | C47 | N29 | H33 | 120.7° | 120.0° |
| C48 | C47 | N29 | C30 | 178.7° | 176.8° |
| C47 | C48 | N26 | H34 | 120.1° | 120.0° |
| C47 | C48 | N26 | H35 | 120.1° | 120.0° |
| C48 | C47 | N29 | C28 | 27.7° | 59.3° |
| C47 | C48 | N26 | C23 | 158.1° | 176.8° |
| C47 | C48 | N26 | C27 | 66.7° | 59.3° |
| C48 | C47 | H32 | H33 | 117.7° | 120.1° |
| C47 | C48 | H34 | H35 | 119.7° | 120.1° |
| C47 | N29 | C30 | C34 | 102.2° | 63.8° |
| C47 | N29 | C30 | C28 | 150.4° | 123.8° |
| N29 | C47 | C48 | N26 | 51.7° | 58.4° |
| C47 | N29 | C28 | C27 | 19.4° | 59.3° |
| C47 | N29 | C28 | H17 | 101.6° | 179.3° |
| C47 | N29 | C28 | H18 | 140.5° | 60.7° |
| N29 | C47 | H32 | H33 | 117.7° | 120.0° |
| N29 | C47 | C48 | H34 | 68.5° | 178.4° |
| N29 | C47 | C48 | H35 | 171.8° | 61.6° |
| C35 | C34 | C30 | H20 | 180.0° | 180.0° |
| C35 | C34 | C30 | N29 | 179.4° | 180.0° |
| C34 | C30 | N29 | C28 | 107.4° | 60.1° |
| C30 | C34 | C35 | H21 | 179.4° | 179.9° |
| C30 | N29 | C28 | C27 | 169.1° | 176.8° |
| C30 | N29 | C28 | H17 | 48.1° | 56.8° |
| C30 | N29 | C28 | H18 | 69.9° | 63.2° |
| N29 | C30 | C34 | H20 | 0.6° | 0.0° |
| C30 | N29 | C47 | H32 | 58.0° | 56.8° |
| C30 | N29 | C47 | H33 | 60.6° | 63.2° |
| C25 | C24 | C23 | H13 | 180.0° | 179.5° |
| C24 | C25 | C20 | H14 | 180.0° | 179.5° |
| C25 | C24 | C23 | N26 | 178.7° | 179.8° |
| C25 | C24 | C23 | C22 | 1.1° | 0.2° |
| C24 | C25 | C20 | O19 | 178.5° | 179.7° |
| C24 | C25 | C20 | C21 | 0.5° | 0.5° |
| C23 | C24 | C25 | C20 | 0.1° | 0.5° |
| C24 | C23 | N26 | C48 | 108.1° | 123.8° |
| C24 | C23 | N26 | C22 | 177.6° | 180.0° |
| C24 | C23 | N26 | C27 | 122.1° | 0.0° |
| C24 | C23 | C22 | C21 | 1.5° | 0.0° |
| C24 | C23 | C22 | H12 | 178.5° | 180.0° |
| C23 | C24 | C25 | H14 | 179.9° | 180.0° |
| C25 | C20 | O19 | C18 | 94.2° | 0.2° |
| C25 | C20 | O19 | C21 | 178.0° | 179.8° |
| C25 | C20 | C21 | C22 | 0.1° | 0.3° |
| C25 | C20 | C21 | H11 | 179.9° | 179.7° |
| C20 | C25 | C24 | H13 | 179.9° | 180.0° |
| C48 | N26 | C23 | C27 | 129.7° | 123.8° |
| C48 | N26 | C23 | C22 | 69.5° | 56.2° |
| C48 | N26 | C27 | C28 | 58.2° | 59.3° |
| C48 | N26 | C27 | H15 | 62.3° | 60.7° |
| C48 | N26 | C27 | H16 | 178.8° | 179.3° |
| N26 | C48 | C47 | H32 | 69.1° | 178.4° |
| N26 | C48 | C47 | H33 | 172.4° | 61.6° |
| N26 | C48 | H34 | H35 | 119.7° | 120.0° |
| N29 | C28 | C27 | N26 | 34.8° | 58.4° |
| N29 | C28 | C27 | H17 | 121.0° | 120.0° |
| N29 | C28 | C27 | H18 | 121.0° | 120.0° |
| N29 | C28 | C27 | H15 | 85.7° | 61.6° |
| N29 | C28 | C27 | H16 | 155.4° | 178.3° |
| N29 | C28 | H17 | H18 | 116.7° | 120.0° |
| C28 | N29 | C47 | H32 | 93.0° | 179.3° |
| C28 | N29 | C47 | H33 | 148.5° | 60.7° |
| C23 | N26 | C27 | C28 | 169.5° | 176.8° |
| N26 | C23 | C22 | C21 | 179.2° | 179.9° |
| N26 | C23 | C22 | H12 | 0.8° | 0.0° |
| N26 | C23 | C24 | H13 | 1.3° | 0.3° |
| C23 | N26 | C27 | H15 | 69.9° | 63.2° |
| C23 | N26 | C27 | H16 | 49.0° | 56.8° |
| C23 | N26 | C48 | H34 | 81.8° | 56.8° |
| C23 | N26 | C48 | H35 | 38.0° | 63.2° |
| C27 | N26 | C23 | C22 | 60.2° | 180.0° |
| N26 | C27 | C28 | H15 | 120.6° | 120.0° |
| N26 | C27 | C28 | H16 | 120.6° | 119.9° |
| N26 | C27 | H15 | H16 | 118.3° | 120.0° |
| N26 | C27 | C28 | H17 | 86.2° | 178.4° |
| N26 | C27 | C28 | H18 | 155.9° | 61.6° |
| C27 | N26 | C48 | H34 | 53.5° | 179.3° |
| C27 | N26 | C48 | H35 | 173.2° | 60.6° |
| O19 | C18 | C17 | H6 | 120.2° | 120.0° |
| O19 | C18 | C17 | H7 | 120.2° | 120.0° |
| C18 | O19 | C20 | C21 | 83.8° | 180.0° |
| O19 | C18 | C17 | O16 | 176.5° | 71.3° |
| O19 | C18 | C17 | C49 | 67.2° | 174.9° |
| O19 | C18 | C17 | H5 | 58.9° | 51.9° |
| O19 | C18 | H6 | H7 | 119.4° | 120.1° |
| C17 | C18 | O19 | C20 | 107.9° | 180.0° |
| C18 | C17 | O16 | C49 | 124.8° | 118.5° |
| C18 | C17 | O16 | H5 | 118.0° | 123.1° |
| C18 | C17 | O16 | C09 | 169.5° | 139.9° |
| C18 | C17 | C49 | H5 | 123.8° | 123.0° |
| C18 | C17 | C49 | O50 | 148.6° | 154.1° |
| C17 | C18 | H6 | H7 | 119.4° | 119.9° |
| C18 | C17 | C49 | H36 | 91.6° | 87.7° |
| C18 | C17 | C49 | H37 | 28.8° | 36.1° |
| C23 | C22 | C21 | C20 | 0.9° | 0.0° |
| C23 | C22 | C21 | H12 | 180.0° | 180.0° |
| C23 | C22 | C21 | H11 | 179.1° | 180.0° |
| C22 | C23 | C24 | H13 | 178.9° | 179.7° |
| O19 | C20 | C21 | C22 | 178.1° | 180.0° |
| C20 | O19 | C18 | H6 | 12.3° | 60.0° |
| C20 | O19 | C18 | H7 | 131.9° | 60.1° |
| O19 | C20 | C21 | H11 | 1.9° | 0.0° |
| O19 | C20 | C25 | H14 | 1.5° | 0.2° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| C20 | C21 | C22 | H12 | 179.1° | 180.0° |
| C21 | C20 | C25 | H14 | 179.5° | 180.0° |
| C17 | O16 | C09 | C10 | 154.9° | 119.2° |
| O16 | C17 | C49 | H5 | 113.4° | 118.4° |
| C17 | O16 | C09 | O50 | 38.6° | 0.6° |
| C17 | O16 | C09 | C03 | 75.5° | 120.5° |
| O16 | C17 | C49 | O50 | 25.8° | 35.5° |
| O16 | C17 | C18 | H6 | 63.3° | 48.8° |
| O16 | C17 | C18 | H7 | 56.3° | 168.7° |
| O16 | C17 | C49 | H36 | 145.6° | 153.7° |
| O16 | C17 | C49 | H37 | 94.0° | 82.5° |
| O16 | C09 | C10 | O50 | 111.5° | 119.3° |
| O16 | C09 | C10 | C03 | 126.8° | 120.2° |
| O16 | C09 | C10 | N11 | 159.3° | 57.7° |
| C09 | O16 | C17 | C49 | 44.7° | 21.4° |
| O16 | C09 | O50 | C03 | 116.6° | 119.7° |
| O16 | C09 | O50 | C49 | 24.0° | 24.3° |
| O16 | C09 | C03 | C04 | 20.0° | 125.5° |
| O16 | C09 | C03 | C02 | 156.8° | 54.5° |
| O16 | C09 | C10 | H1 | 38.7° | 177.6° |
| O16 | C09 | C10 | H2 | 80.0° | 62.3° |
| C09 | O16 | C17 | H5 | 72.5° | 97.0° |
| C28 | C27 | H15 | H16 | 118.2° | 120.1° |
| C27 | C28 | H17 | H18 | 116.8° | 120.1° |
| C09 | C10 | N11 | H1 | 120.6° | 119.9° |
| C09 | C10 | N11 | H2 | 120.7° | 120.0° |
| C10 | C09 | O50 | C03 | 126.7° | 120.4° |
| C10 | C09 | O50 | C49 | 140.8° | 95.6° |
| C09 | C10 | N11 | N12 | 69.3° | 53.8° |
| C09 | C10 | N11 | C15 | 111.8° | 126.1° |
| C10 | C09 | C03 | C04 | 106.5° | 5.3° |
| C10 | C09 | C03 | C02 | 76.7° | 174.8° |
| C09 | C10 | H1 | H2 | 118.0° | 120.0° |
| N11 | C10 | C09 | O50 | 47.9° | 177.0° |
| N11 | C10 | C09 | C03 | 73.9° | 62.5° |
| C10 | N11 | N12 | C15 | 179.0° | 179.9° |
| C10 | N11 | N12 | C13 | 180.0° | 180.0° |
| C10 | N11 | C15 | N14 | 179.9° | 179.8° |
| N11 | C10 | H1 | H2 | 118.0° | 120.1° |
| C10 | N11 | C15 | H4 | 0.0° | 0.1° |
| C17 | C49 | O50 | C09 | 5.7° | 36.1° |
| C17 | C49 | O50 | H36 | 119.8° | 118.1° |
| C17 | C49 | O50 | H37 | 119.8° | 118.1° |
| C49 | C17 | C18 | H6 | 52.9° | 65.0° |
| C49 | C17 | C18 | H7 | 172.5° | 55.0° |
| C17 | C49 | H36 | H37 | 120.6° | 123.9° |
| O50 | C09 | C03 | C04 | 130.6° | 115.2° |
| O50 | C09 | C03 | C02 | 46.2° | 64.8° |
| O50 | C09 | C10 | H1 | 72.8° | 63.0° |
| O50 | C09 | C10 | H2 | 168.5° | 57.0° |
| C09 | O50 | C49 | H36 | 125.5° | 154.2° |
| C09 | O50 | C49 | H37 | 114.0° | 82.1° |
| C03 | C09 | O50 | C49 | 92.5° | 144.0° |
| C09 | C03 | C04 | C02 | 176.9° | 179.9° |
| C09 | C03 | C04 | C05 | 177.9° | 180.0° |
| C09 | C03 | C02 | CL01 | 2.5° | 0.1° |
| C09 | C03 | C02 | C08 | 178.5° | 179.7° |
| C03 | C09 | C10 | H1 | 165.4° | 57.4° |
| C03 | C09 | C10 | H2 | 46.7° | 177.5° |
| C09 | C03 | C04 | H8 | 2.2° | 0.1° |
| O50 | C49 | C17 | H5 | 87.6° | 82.9° |
| O50 | C49 | H36 | H37 | 120.7° | 123.8° |
| N12 | N11 | C15 | N14 | 0.9° | 0.3° |
| N11 | N12 | C13 | N14 | 0.6° | 0.0° |
| N12 | N11 | C10 | H1 | 51.3° | 173.7° |
| N12 | N11 | C10 | H2 | 170.0° | 66.2° |
| N11 | N12 | C13 | H3 | 179.4° | 179.7° |
| N12 | N11 | C15 | H4 | 179.1° | 180.0° |
| C15 | N11 | N12 | C13 | 1.0° | 0.2° |
| N11 | C15 | N14 | H4 | 180.0° | 179.7° |
| N11 | C15 | N14 | C13 | 0.5° | 0.4° |
| C15 | N11 | C10 | H1 | 127.5° | 6.2° |
| C15 | N11 | C10 | H2 | 8.8° | 113.9° |
| C03 | C04 | C05 | H8 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C04 | C03 | C02 | CL01 | 179.2° | 180.0° |
| C04 | C03 | C02 | C08 | 1.7° | 0.3° |
| C03 | C04 | C05 | H9 | 179.6° | 180.0° |
| C05 | C04 | C03 | C02 | 0.9° | 0.0° |
| C04 | C05 | C06 | H9 | 180.0° | 180.0° |
| C04 | C05 | C06 | C08 | 1.1° | 0.3° |
| C04 | C05 | C06 | CL07 | 179.2° | 180.0° |
| N12 | C13 | N14 | C15 | 0.1° | 0.3° |
| N12 | C13 | N14 | H3 | 180.0° | 179.7° |
| C15 | N14 | C13 | H3 | 180.0° | 179.9° |
| C03 | C02 | CL01 | C08 | 179.1° | 179.7° |
| C03 | C02 | C08 | C06 | 1.1° | 0.6° |
| C02 | C03 | C04 | H8 | 179.1° | 179.9° |
| C03 | C02 | C08 | H10 | 178.9° | 179.8° |
| C05 | C06 | C08 | C02 | 0.3° | 0.6° |
| C05 | C06 | C08 | CL07 | 179.7° | 179.7° |
| C06 | C05 | C04 | H8 | 179.5° | 179.9° |
| C05 | C06 | C08 | H10 | 179.7° | 179.8° |
| C13 | N14 | C15 | H4 | 179.4° | 180.0° |
| CL01 | C02 | C08 | C06 | 179.7° | 179.7° |
| CL01 | C02 | C08 | H10 | 0.3° | 0.1° |
| C02 | C08 | C06 | H10 | 180.0° | 179.6° |
| C02 | C08 | C06 | CL07 | 180.0° | 179.7° |
| C08 | C06 | C05 | H9 | 178.9° | 179.7° |
| CL07 | C06 | C05 | H9 | 0.8° | 0.0° |
| CL07 | C06 | C08 | H10 | 0.0° | 0.1° |
| H5 | C17 | C18 | H6 | 179.1° | 171.9° |
| H5 | C17 | C18 | H7 | 61.4° | 68.1° |
| H5 | C17 | C49 | H36 | 32.2° | 35.3° |
| H5 | C17 | C49 | H37 | 152.6° | 159.1° |
| H8 | C04 | C05 | H9 | 0.5° | 0.1° |
| H11 | C21 | C22 | H12 | 0.9° | 0.0° |
| H13 | C24 | C25 | H14 | 0.1° | 0.5° |
| H15 | C27 | C28 | H17 | 153.2° | 58.4° |
| H15 | C27 | C28 | H18 | 35.3° | 178.5° |
| H16 | C27 | C28 | H17 | 34.4° | 61.7° |
| H16 | C27 | C28 | H18 | 83.5° | 58.4° |
| H20 | C34 | C35 | H21 | 0.6° | 0.0° |
| H22 | C40 | C41 | H23 | 64.6° | 60.0° |
| H22 | C40 | C41 | H24 | 175.4° | 60.0° |
| H22 | C40 | C41 | H25 | 55.4° | 180.0° |
| H22 | C40 | C42 | H26 | 95.3° | 65.0° |
| H22 | C40 | C42 | H27 | 144.8° | 175.0° |
| H23 | C41 | H24 | H25 | 120.0° | 120.0° |
| H26 | C42 | C43 | H28 | 60.0° | 180.0° |
| H26 | C42 | C43 | H29 | 60.0° | 60.0° |
| H26 | C42 | C43 | H30 | 180.0° | 60.0° |
| H27 | C42 | C43 | H28 | 60.0° | 60.0° |
| H27 | C42 | C43 | H29 | 180.0° | 180.0° |
| H27 | C42 | C43 | H30 | 60.0° | 60.0° |
| H28 | C43 | H29 | H30 | 120.0° | 120.1° |
| H32 | C47 | C48 | H34 | 170.8° | 61.6° |
| H32 | C47 | C48 | H35 | 51.0° | 58.4° |
| H33 | C47 | C48 | H34 | 52.3° | 58.4° |
| H33 | C47 | C48 | H35 | 67.5° | 178.4° |
