7YH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | C37 | sing | 1.53Å | 1.58Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | sing | 1.53Å | 1.57Å | |
| C34 | C33 | sing | 1.53Å | 1.62Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C32 | C31 | sing | 1.53Å | 1.61Å | |
| C31 | C30 | sing | 1.53Å | 1.58Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| BR1 | C4 | sing | 1.89Å | 1.88Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C25 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| I1 | C2 | sing | 2.09Å | 2.09Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| C25 | O24 | sing | 1.34Å | 1.46Å | |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| O24 | C23 | sing | 1.45Å | 1.43Å | |
| C7 | O9 | sing | 1.35Å | 1.45Å | |
| C7 | O8 | doub | 1.21Å | 1.22Å | |
| O9 | C10 | sing | 1.45Å | 1.43Å | |
| C23 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | O12 | sing | 1.43Å | 1.42Å | |
| O12 | P13 | sing | 1.61Å | 1.61Å | |
| O14 | P13 | doub | 1.48Å | 1.53Å | |
| P13 | O15 | sing | 1.61Å | 1.51Å | |
| P13 | O16 | sing | 1.61Å | 1.61Å | |
| O16 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | N19 | sing | 1.47Å | 1.48Å | |
| C18 | N19 | sing | 1.47Å | 1.47Å | |
| N19 | C22 | sing | 1.47Å | 1.47Å | |
| N19 | C21 | sing | 1.47Å | 1.47Å | |
| O15 | H1 | sing | 0.97Å | 0.95Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C37 | 108.1° | 109.4° |
| C39 | C38 | H45 | 109.8° | 109.5° |
| C39 | C38 | H46 | 109.8° | 109.5° |
| C38 | C39 | H47 | 109.5° | 109.5° |
| C38 | C39 | H48 | 109.5° | 109.5° |
| C38 | C39 | H49 | 109.5° | 109.5° |
| C38 | C37 | C36 | 107.2° | 109.5° |
| C38 | C37 | H43 | 110.0° | 109.5° |
| C38 | C37 | H44 | 110.0° | 109.5° |
| C37 | C38 | H45 | 109.8° | 109.5° |
| C37 | C38 | H46 | 109.8° | 109.5° |
| C37 | C36 | C35 | 110.8° | 109.5° |
| C37 | C36 | H41 | 109.1° | 109.5° |
| C37 | C36 | H42 | 109.1° | 109.5° |
| C36 | C37 | H43 | 110.1° | 109.5° |
| C36 | C37 | H44 | 110.0° | 109.5° |
| C36 | C35 | C34 | 111.5° | 109.5° |
| C36 | C35 | H39 | 109.0° | 109.4° |
| C36 | C35 | H40 | 109.0° | 109.5° |
| C35 | C36 | H41 | 109.2° | 109.4° |
| C35 | C36 | H42 | 109.2° | 109.5° |
| C35 | C34 | C33 | 105.9° | 109.5° |
| C35 | C34 | H37 | 110.3° | 109.5° |
| C35 | C34 | H38 | 110.4° | 109.5° |
| C34 | C35 | H39 | 108.9° | 109.5° |
| C34 | C35 | H40 | 109.0° | 109.5° |
| C34 | C33 | C32 | 109.2° | 109.5° |
| C34 | C33 | H35 | 109.5° | 109.4° |
| C34 | C33 | H36 | 109.6° | 109.5° |
| C33 | C34 | H37 | 110.3° | 109.4° |
| C33 | C34 | H38 | 110.3° | 109.5° |
| C33 | C32 | C31 | 110.1° | 109.5° |
| C33 | C32 | H33 | 109.3° | 109.5° |
| C33 | C32 | H34 | 109.3° | 109.5° |
| C32 | C33 | H35 | 109.5° | 109.5° |
| C32 | C33 | H36 | 109.5° | 109.5° |
| C32 | C31 | C30 | 104.2° | 109.5° |
| C32 | C31 | H31 | 110.8° | 109.5° |
| C32 | C31 | H32 | 110.8° | 109.5° |
| C31 | C32 | H33 | 109.3° | 109.5° |
| C31 | C32 | H34 | 109.3° | 109.5° |
| C31 | C30 | C29 | 111.1° | 109.5° |
| C31 | C30 | H29 | 109.1° | 109.5° |
| C31 | C30 | H30 | 109.1° | 109.5° |
| C30 | C31 | H31 | 110.8° | 109.5° |
| C30 | C31 | H32 | 110.8° | 109.5° |
| C30 | C29 | C28 | 110.6° | 109.5° |
| C30 | C29 | H27 | 109.2° | 109.4° |
| C30 | C29 | H28 | 109.2° | 109.5° |
| C29 | C30 | H29 | 109.0° | 109.4° |
| C29 | C30 | H30 | 109.1° | 109.5° |
| C29 | C28 | C27 | 110.0° | 109.5° |
| C29 | C28 | H25 | 109.3° | 109.5° |
| C29 | C28 | H26 | 109.3° | 109.5° |
| C28 | C29 | H27 | 109.2° | 109.5° |
| C28 | C29 | H28 | 109.2° | 109.5° |
| BR1 | C4 | C3 | 120.5° | 120.0° |
| BR1 | C4 | C5 | 118.8° | 119.9° |
| C28 | C27 | C25 | 109.0° | 109.5° |
| C28 | C27 | H23 | 109.6° | 109.4° |
| C28 | C27 | H24 | 109.6° | 109.5° |
| C27 | C28 | H25 | 109.3° | 109.4° |
| C27 | C28 | H26 | 109.3° | 109.5° |
| C27 | C25 | O26 | 120.1° | 120.0° |
| C27 | C25 | O24 | 120.3° | 120.0° |
| C25 | C27 | H23 | 109.6° | 109.5° |
| C25 | C27 | H24 | 109.6° | 109.5° |
| C4 | C3 | C2 | 120.2° | 120.3° |
| C3 | C4 | C5 | 120.7° | 120.1° |
| C4 | C3 | H19 | 119.9° | 119.8° |
| C3 | C2 | I1 | 117.8° | 119.9° |
| C3 | C2 | C1 | 119.8° | 120.1° |
| C2 | C3 | H19 | 119.9° | 119.9° |
| C4 | C5 | C6 | 119.3° | 119.9° |
| C4 | C5 | H18 | 120.4° | 120.0° |
| I1 | C2 | C1 | 122.4° | 120.0° |
| C2 | C1 | C6 | 118.8° | 119.9° |
| C2 | C1 | H20 | 120.6° | 120.0° |
| O26 | C25 | O24 | 119.6° | 120.0° |
| C25 | O24 | C23 | 117.4° | 117.0° |
| C5 | C6 | C1 | 121.2° | 119.7° |
| C5 | C6 | C7 | 115.7° | 120.1° |
| C6 | C5 | H18 | 120.3° | 120.1° |
| C1 | C6 | C7 | 123.0° | 120.1° |
| C6 | C1 | H20 | 120.6° | 120.1° |
| C6 | C7 | O9 | 117.9° | 120.0° |
| C6 | C7 | O8 | 121.6° | 120.0° |
| O24 | C23 | C10 | 113.9° | 109.5° |
| O24 | C23 | H21 | 108.4° | 109.5° |
| O24 | C23 | H22 | 108.4° | 109.5° |
| O9 | C7 | O8 | 120.5° | 120.0° |
| C7 | O9 | C10 | 112.9° | 117.0° |
| O9 | C10 | C23 | 109.7° | 109.5° |
| O9 | C10 | C11 | 106.8° | 109.5° |
| O9 | C10 | H17 | 113.1° | 109.4° |
| C23 | C10 | C11 | 103.6° | 109.5° |
| C23 | C10 | H17 | 111.5° | 109.5° |
| C10 | C23 | H21 | 108.4° | 109.5° |
| C10 | C23 | H22 | 108.3° | 109.5° |
| C10 | C11 | O12 | 112.0° | 109.5° |
| C10 | C11 | H15 | 108.8° | 109.5° |
| C10 | C11 | H16 | 108.9° | 109.5° |
| C11 | C10 | H17 | 111.7° | 109.5° |
| C11 | O12 | P13 | 116.1° | 123.0° |
| O12 | C11 | H15 | 108.9° | 109.4° |
| O12 | C11 | H16 | 108.8° | 109.4° |
| O12 | P13 | O14 | 110.6° | 109.4° |
| O12 | P13 | O15 | 108.5° | 109.5° |
| O12 | P13 | O16 | 107.5° | 109.5° |
| O14 | P13 | O15 | 115.1° | 109.4° |
| O14 | P13 | O16 | 108.3° | 109.5° |
| O15 | P13 | O16 | 106.5° | 109.5° |
| P13 | O15 | H1 | 109.5° | 114.0° |
| P13 | O16 | C17 | 122.9° | 123.0° |
| O16 | C17 | C18 | 108.2° | 109.5° |
| O16 | C17 | H2 | 109.8° | 109.5° |
| O16 | C17 | H3 | 109.8° | 109.5° |
| C17 | C18 | N19 | 108.7° | 109.4° |
| C18 | C17 | H2 | 109.8° | 109.5° |
| C18 | C17 | H3 | 109.8° | 109.5° |
| C17 | C18 | H4 | 109.7° | 109.4° |
| C17 | C18 | H5 | 109.7° | 109.4° |
| C20 | N19 | C18 | 110.6° | 109.5° |
| C20 | N19 | C22 | 109.1° | 109.5° |
| C20 | N19 | C21 | 110.3° | 109.4° |
| N19 | C20 | H12 | 109.5° | 109.4° |
| N19 | C20 | H13 | 109.5° | 109.5° |
| N19 | C20 | H14 | 109.5° | 109.5° |
| C18 | N19 | C22 | 109.0° | 109.5° |
| C18 | N19 | C21 | 108.3° | 109.5° |
| N19 | C18 | H4 | 109.6° | 109.5° |
| N19 | C18 | H5 | 109.6° | 109.5° |
| C22 | N19 | C21 | 109.4° | 109.4° |
| N19 | C22 | H6 | 109.5° | 109.5° |
| N19 | C22 | H7 | 109.5° | 109.5° |
| N19 | C22 | H8 | 109.5° | 109.5° |
| N19 | C21 | H9 | 109.5° | 109.4° |
| N19 | C21 | H10 | 109.5° | 109.5° |
| N19 | C21 | H11 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H4 | C18 | H5 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H8 | 109.4° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H11 | 109.5° | 109.4° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.4° |
| H12 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.4° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.5° | 109.4° |
| H35 | C33 | H36 | 109.5° | 109.5° |
| H37 | C34 | H38 | 109.5° | 109.4° |
| H39 | C35 | H40 | 109.4° | 109.5° |
| H41 | C36 | H42 | 109.4° | 109.4° |
| H43 | C37 | H44 | 109.5° | 109.5° |
| H45 | C38 | H46 | 109.5° | 109.5° |
| H47 | C39 | H48 | 109.5° | 109.5° |
| H47 | C39 | H49 | 109.5° | 109.5° |
| H48 | C39 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C37 | H45 | 119.8° | 120.0° |
| C39 | C38 | C37 | H46 | 119.8° | 120.0° |
| C39 | C38 | C37 | C36 | 151.3° | 180.0° |
| C39 | C38 | C37 | H43 | 31.6° | 60.0° |
| C39 | C38 | C37 | H44 | 89.1° | 60.0° |
| C39 | C38 | H45 | H46 | 120.7° | 120.0° |
| C38 | C39 | H47 | H48 | 120.0° | 120.0° |
| C38 | C39 | H47 | H49 | 120.0° | 120.0° |
| C38 | C39 | H48 | H49 | 120.0° | 120.0° |
| C38 | C37 | C36 | H43 | 119.6° | 120.0° |
| C38 | C37 | C36 | H44 | 119.6° | 120.0° |
| C38 | C37 | C36 | C35 | 145.3° | 180.0° |
| C38 | C37 | C36 | H41 | 94.5° | 60.0° |
| C38 | C37 | C36 | H42 | 25.0° | 60.0° |
| C38 | C37 | H43 | H44 | 121.0° | 120.0° |
| C37 | C38 | H45 | H46 | 120.6° | 120.0° |
| C37 | C38 | C39 | H47 | 180.0° | 60.0° |
| C37 | C38 | C39 | H48 | 60.0° | 60.0° |
| C37 | C38 | C39 | H49 | 60.0° | 180.0° |
| C37 | C36 | C35 | H41 | 120.2° | 120.0° |
| C37 | C36 | C35 | H42 | 120.2° | 120.1° |
| C37 | C36 | C35 | C34 | 173.8° | 180.0° |
| C37 | C36 | C35 | H39 | 65.9° | 60.0° |
| C37 | C36 | C35 | H40 | 53.5° | 60.0° |
| C37 | C36 | H41 | H42 | 119.4° | 120.0° |
| C36 | C37 | H43 | H44 | 121.1° | 120.0° |
| C36 | C37 | C38 | H45 | 89.0° | 60.0° |
| C36 | C37 | C38 | H46 | 31.5° | 60.0° |
| C36 | C35 | C34 | H39 | 120.3° | 120.0° |
| C36 | C35 | C34 | H40 | 120.3° | 120.0° |
| C36 | C35 | C34 | C33 | 89.7° | 180.0° |
| C36 | C35 | C34 | H37 | 150.8° | 60.0° |
| C36 | C35 | C34 | H38 | 29.7° | 59.9° |
| C36 | C35 | H39 | H40 | 119.1° | 120.0° |
| C35 | C36 | H41 | H42 | 119.4° | 120.0° |
| C35 | C36 | C37 | H43 | 25.6° | 60.0° |
| C35 | C36 | C37 | H44 | 95.1° | 60.0° |
| C35 | C34 | C33 | H37 | 119.4° | 120.0° |
| C35 | C34 | C33 | H38 | 119.5° | 120.1° |
| C35 | C34 | C33 | C32 | 152.2° | 180.0° |
| C35 | C34 | C33 | H35 | 87.9° | 60.0° |
| C35 | C34 | C33 | H36 | 32.2° | 60.0° |
| C35 | C34 | H37 | H38 | 121.7° | 120.0° |
| C34 | C35 | H39 | H40 | 119.1° | 120.0° |
| C34 | C35 | C36 | H41 | 53.6° | 60.0° |
| C34 | C35 | C36 | H42 | 66.0° | 59.9° |
| C34 | C33 | C32 | H35 | 119.9° | 120.0° |
| C34 | C33 | C32 | H36 | 120.0° | 120.0° |
| C34 | C33 | C32 | C31 | 114.1° | 180.0° |
| C34 | C33 | C32 | H33 | 125.8° | 60.0° |
| C34 | C33 | C32 | H34 | 6.0° | 60.0° |
| C34 | C33 | H35 | H36 | 120.2° | 120.0° |
| C33 | C34 | H37 | H38 | 121.6° | 120.0° |
| C33 | C34 | C35 | H39 | 30.6° | 60.0° |
| C33 | C34 | C35 | H40 | 149.9° | 60.0° |
| C33 | C32 | C31 | H33 | 120.1° | 120.0° |
| C33 | C32 | C31 | H34 | 120.1° | 120.0° |
| C33 | C32 | C31 | C30 | 146.6° | 180.0° |
| C33 | C32 | C31 | H31 | 27.5° | 60.0° |
| C33 | C32 | C31 | H32 | 94.2° | 60.0° |
| C33 | C32 | H33 | H34 | 119.7° | 120.0° |
| C32 | C33 | H35 | H36 | 120.1° | 120.0° |
| C32 | C33 | C34 | H37 | 32.8° | 60.0° |
| C32 | C33 | C34 | H38 | 88.3° | 59.9° |
| C32 | C31 | C30 | H31 | 119.1° | 120.0° |
| C32 | C31 | C30 | H32 | 119.2° | 120.0° |
| C32 | C31 | C30 | C29 | 149.9° | 180.0° |
| C32 | C31 | C30 | H29 | 89.9° | 60.0° |
| C32 | C31 | C30 | H30 | 29.6° | 60.0° |
| C32 | C31 | H31 | H32 | 122.5° | 120.0° |
| C31 | C32 | H33 | H34 | 119.7° | 120.0° |
| C31 | C32 | C33 | H35 | 5.9° | 60.0° |
| C31 | C32 | C33 | H36 | 126.0° | 60.0° |
| C31 | C30 | C29 | H29 | 120.2° | 120.0° |
| C31 | C30 | C29 | H30 | 120.2° | 120.0° |
| C31 | C30 | C29 | C28 | 119.5° | 180.0° |
| C31 | C30 | C29 | H27 | 120.3° | 60.0° |
| C31 | C30 | C29 | H28 | 0.7° | 60.0° |
| C31 | C30 | H29 | H30 | 119.3° | 120.0° |
| C30 | C31 | H31 | H32 | 122.4° | 120.0° |
| C30 | C31 | C32 | H33 | 93.3° | 60.0° |
| C30 | C31 | C32 | H34 | 26.6° | 60.0° |
| C30 | C29 | C28 | H27 | 120.2° | 120.0° |
| C30 | C29 | C28 | H28 | 120.2° | 120.0° |
| C30 | C29 | C28 | C27 | 96.7° | 180.0° |
| C30 | C29 | C28 | H25 | 23.4° | 60.0° |
| C30 | C29 | C28 | H26 | 143.3° | 60.0° |
| C30 | C29 | H27 | H28 | 119.5° | 120.0° |
| C29 | C30 | H29 | H30 | 119.3° | 120.0° |
| C29 | C30 | C31 | H31 | 30.7° | 60.0° |
| C29 | C30 | C31 | H32 | 91.0° | 60.0° |
| C29 | C28 | C27 | H25 | 120.1° | 120.0° |
| C29 | C28 | C27 | H26 | 120.1° | 120.0° |
| C29 | C28 | C27 | C25 | 173.2° | 180.0° |
| C29 | C28 | C27 | H23 | 53.3° | 60.0° |
| C29 | C28 | C27 | H24 | 66.8° | 60.0° |
| C29 | C28 | H25 | H26 | 119.7° | 120.0° |
| C28 | C29 | H27 | H28 | 119.5° | 120.0° |
| C28 | C29 | C30 | H29 | 0.7° | 60.0° |
| C28 | C29 | C30 | H30 | 120.2° | 60.0° |
| BR1 | C4 | C3 | C5 | 179.1° | 180.0° |
| BR1 | C4 | C3 | C2 | 179.3° | 180.0° |
| BR1 | C4 | C5 | C6 | 179.2° | 180.0° |
| BR1 | C4 | C5 | H18 | 0.8° | 0.0° |
| BR1 | C4 | C3 | H19 | 0.7° | 0.1° |
| C28 | C27 | C25 | H23 | 119.9° | 119.9° |
| C28 | C27 | C25 | H24 | 119.9° | 120.0° |
| C28 | C27 | C25 | O26 | 176.7° | 0.1° |
| C28 | C27 | C25 | O24 | 3.7° | 180.0° |
| C28 | C27 | H23 | H24 | 120.2° | 120.0° |
| C27 | C28 | H25 | H26 | 119.8° | 120.0° |
| C27 | C28 | C29 | H27 | 143.2° | 60.0° |
| C27 | C28 | C29 | H28 | 23.5° | 60.0° |
| C27 | C25 | O26 | O24 | 179.6° | 179.9° |
| C27 | C25 | O24 | C23 | 167.6° | 180.0° |
| C25 | C27 | H23 | H24 | 120.2° | 120.0° |
| C25 | C27 | C28 | H25 | 66.7° | 60.0° |
| C25 | C27 | C28 | H26 | 53.2° | 60.0° |
| C4 | C3 | C2 | H19 | 180.0° | 179.9° |
| C4 | C3 | C2 | I1 | 179.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.3° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H18 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | I1 | C1 | 178.7° | 179.7° |
| C3 | C2 | C1 | C6 | 0.2° | 0.6° |
| C3 | C2 | C1 | H20 | 179.8° | 179.7° |
| C4 | C5 | C6 | H18 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.3° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C5 | C4 | C3 | H19 | 179.8° | 180.0° |
| I1 | C2 | C1 | C6 | 178.9° | 179.7° |
| I1 | C2 | C3 | H19 | 1.0° | 0.1° |
| I1 | C2 | C1 | H20 | 1.1° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.6° |
| C2 | C1 | C6 | H20 | 180.0° | 179.7° |
| C2 | C1 | C6 | C7 | 179.9° | 179.7° |
| C1 | C2 | C3 | H19 | 179.7° | 179.7° |
| O26 | C25 | O24 | C23 | 12.7° | 0.0° |
| O26 | C25 | C27 | H23 | 63.4° | 120.0° |
| O26 | C25 | C27 | H24 | 56.8° | 120.0° |
| C25 | O24 | C23 | C10 | 129.0° | 180.0° |
| C25 | O24 | C23 | H21 | 8.3° | 60.0° |
| C25 | O24 | C23 | H22 | 110.4° | 59.9° |
| O24 | C25 | C27 | H23 | 116.2° | 60.0° |
| O24 | C25 | C27 | H24 | 123.6° | 60.0° |
| C5 | C6 | C1 | C7 | 179.7° | 179.7° |
| C5 | C6 | C7 | O9 | 17.9° | 180.0° |
| C5 | C6 | C7 | O8 | 163.2° | 0.1° |
| C5 | C6 | C1 | H20 | 179.9° | 179.7° |
| C1 | C6 | C7 | O9 | 161.8° | 0.3° |
| C1 | C6 | C7 | O8 | 17.0° | 179.7° |
| C1 | C6 | C5 | H18 | 180.0° | 179.7° |
| C6 | C7 | O9 | O8 | 178.9° | 179.9° |
| C6 | C7 | O9 | C10 | 160.4° | 180.0° |
| C7 | C6 | C5 | H18 | 0.2° | 0.0° |
| C7 | C6 | C1 | H20 | 0.2° | 0.0° |
| O24 | C23 | C10 | O9 | 78.2° | 65.0° |
| O24 | C23 | C10 | H21 | 120.7° | 120.0° |
| O24 | C23 | C10 | H22 | 120.6° | 120.0° |
| O24 | C23 | C10 | C11 | 168.1° | 175.0° |
| O24 | C23 | C10 | H17 | 47.9° | 55.0° |
| O24 | C23 | H21 | H22 | 118.0° | 120.0° |
| C7 | O9 | C10 | C23 | 134.4° | 90.0° |
| C7 | O9 | C10 | C11 | 113.9° | 150.0° |
| C7 | O9 | C10 | H17 | 9.3° | 30.0° |
| O8 | C7 | O9 | C10 | 20.7° | 0.0° |
| O9 | C10 | C23 | C11 | 113.7° | 120.0° |
| O9 | C10 | C23 | H17 | 126.1° | 120.0° |
| O9 | C10 | C11 | H17 | 124.1° | 120.0° |
| O9 | C10 | C11 | O12 | 12.5° | 65.0° |
| O9 | C10 | C11 | H15 | 132.9° | 175.0° |
| O9 | C10 | C11 | H16 | 107.9° | 55.0° |
| O9 | C10 | C23 | H21 | 42.5° | 175.0° |
| O9 | C10 | C23 | H22 | 161.2° | 55.1° |
| C23 | C10 | C11 | H17 | 120.1° | 120.0° |
| C23 | C10 | C11 | O12 | 103.4° | 175.0° |
| C23 | C10 | C11 | H15 | 17.0° | 55.0° |
| C23 | C10 | C11 | H16 | 136.2° | 65.0° |
| C10 | C23 | H21 | H22 | 118.0° | 120.0° |
| C10 | C11 | O12 | H15 | 120.4° | 120.0° |
| C10 | C11 | O12 | H16 | 120.4° | 120.0° |
| C10 | C11 | O12 | P13 | 173.3° | 180.0° |
| C10 | C11 | H15 | H16 | 118.8° | 120.1° |
| C11 | C10 | C23 | H21 | 71.2° | 55.0° |
| C11 | C10 | C23 | H22 | 47.5° | 65.0° |
| C11 | O12 | P13 | O14 | 103.2° | 55.0° |
| C11 | O12 | P13 | O15 | 129.6° | 65.0° |
| C11 | O12 | P13 | O16 | 14.8° | 175.0° |
| O12 | C11 | H15 | H16 | 118.8° | 120.0° |
| O12 | C11 | C10 | H17 | 136.6° | 55.0° |
| O12 | P13 | O14 | O15 | 123.4° | 120.0° |
| O12 | P13 | O14 | O16 | 117.6° | 120.0° |
| O12 | P13 | O15 | O16 | 115.5° | 120.0° |
| O12 | P13 | O16 | C17 | 170.5° | 175.0° |
| O12 | P13 | O15 | H1 | 124.5° | 60.0° |
| P13 | O12 | C11 | H15 | 52.9° | 60.0° |
| P13 | O12 | C11 | H16 | 66.3° | 60.0° |
| O14 | P13 | O15 | O16 | 120.0° | 120.0° |
| O14 | P13 | O16 | C17 | 51.0° | 55.0° |
| O14 | P13 | O15 | H1 | 0.0° | 180.0° |
| O15 | P13 | O16 | C17 | 73.3° | 65.0° |
| P13 | O16 | C17 | C18 | 150.6° | 180.0° |
| O16 | P13 | O15 | H1 | 120.0° | 60.0° |
| P13 | O16 | C17 | H2 | 89.6° | 60.0° |
| P13 | O16 | C17 | H3 | 30.7° | 60.0° |
| O16 | C17 | C18 | H2 | 119.8° | 120.0° |
| O16 | C17 | C18 | H3 | 119.8° | 120.0° |
| O16 | C17 | C18 | N19 | 144.4° | 66.5° |
| O16 | C17 | H2 | H3 | 120.6° | 120.0° |
| O16 | C17 | C18 | H4 | 24.5° | 173.5° |
| O16 | C17 | C18 | H5 | 95.8° | 53.5° |
| C17 | C18 | N19 | C20 | 89.4° | 65.6° |
| C17 | C18 | N19 | H4 | 119.9° | 120.0° |
| C17 | C18 | N19 | H5 | 119.9° | 120.0° |
| C17 | C18 | N19 | C22 | 30.7° | 54.4° |
| C17 | C18 | N19 | C21 | 149.6° | 174.4° |
| C18 | C17 | H2 | H3 | 120.6° | 120.0° |
| C17 | C18 | H4 | H5 | 120.4° | 119.9° |
| C20 | N19 | C18 | C22 | 120.0° | 120.1° |
| C20 | N19 | C18 | C21 | 121.0° | 120.0° |
| C20 | N19 | C22 | C21 | 120.8° | 120.0° |
| C20 | N19 | C18 | H4 | 30.5° | 174.4° |
| C20 | N19 | C18 | H5 | 150.8° | 54.4° |
| C20 | N19 | C22 | H6 | 180.0° | 180.0° |
| C20 | N19 | C22 | H7 | 60.0° | 60.0° |
| C20 | N19 | C22 | H8 | 60.0° | 60.0° |
| C20 | N19 | C21 | H9 | 180.0° | 60.0° |
| C20 | N19 | C21 | H10 | 60.0° | 60.0° |
| C20 | N19 | C21 | H11 | 60.0° | 180.0° |
| N19 | C20 | H12 | H13 | 120.0° | 120.0° |
| N19 | C20 | H12 | H14 | 120.0° | 120.1° |
| N19 | C20 | H13 | H14 | 120.0° | 120.1° |
| C18 | N19 | C22 | C21 | 118.3° | 120.0° |
| N19 | C18 | C17 | H2 | 95.8° | 53.5° |
| N19 | C18 | C17 | H3 | 24.6° | 173.5° |
| N19 | C18 | H4 | H5 | 120.3° | 120.1° |
| C18 | N19 | C22 | H6 | 59.1° | 60.0° |
| C18 | N19 | C22 | H7 | 61.0° | 180.0° |
| C18 | N19 | C22 | H8 | 179.1° | 60.0° |
| C18 | N19 | C21 | H9 | 58.8° | 59.9° |
| C18 | N19 | C21 | H10 | 178.8° | 180.0° |
| C18 | N19 | C21 | H11 | 61.2° | 60.0° |
| C18 | N19 | C20 | H12 | 180.0° | 71.2° |
| C18 | N19 | C20 | H13 | 60.0° | 168.9° |
| C18 | N19 | C20 | H14 | 60.0° | 48.9° |
| C22 | N19 | C18 | H4 | 150.5° | 65.5° |
| C22 | N19 | C18 | H5 | 89.2° | 174.4° |
| N19 | C22 | H6 | H7 | 120.0° | 120.0° |
| N19 | C22 | H6 | H8 | 120.0° | 120.0° |
| N19 | C22 | H7 | H8 | 120.0° | 120.0° |
| C22 | N19 | C21 | H9 | 59.9° | 180.0° |
| C22 | N19 | C21 | H10 | 60.1° | 60.0° |
| C22 | N19 | C21 | H11 | 179.9° | 60.0° |
| C22 | N19 | C20 | H12 | 60.1° | 48.9° |
| C22 | N19 | C20 | H13 | 59.9° | 71.0° |
| C22 | N19 | C20 | H14 | 179.9° | 169.0° |
| C21 | N19 | C18 | H4 | 90.5° | 54.5° |
| C21 | N19 | C18 | H5 | 29.7° | 65.6° |
| C21 | N19 | C22 | H6 | 59.2° | 60.0° |
| C21 | N19 | C22 | H7 | 179.2° | 60.0° |
| C21 | N19 | C22 | H8 | 60.8° | 180.0° |
| N19 | C21 | H9 | H10 | 120.0° | 120.0° |
| N19 | C21 | H9 | H11 | 120.0° | 120.0° |
| N19 | C21 | H10 | H11 | 120.0° | 120.1° |
| C21 | N19 | C20 | H12 | 60.2° | 168.9° |
| C21 | N19 | C20 | H13 | 179.8° | 48.9° |
| C21 | N19 | C20 | H14 | 59.8° | 71.1° |
| H2 | C17 | C18 | H4 | 144.3° | 66.5° |
| H2 | C17 | C18 | H5 | 24.0° | 173.5° |
| H3 | C17 | C18 | H4 | 95.3° | 53.5° |
| H3 | C17 | C18 | H5 | 144.4° | 66.5° |
| H6 | C22 | H7 | H8 | 120.0° | 120.0° |
| H9 | C21 | H10 | H11 | 120.0° | 119.9° |
| H12 | C20 | H13 | H14 | 120.0° | 120.0° |
| H15 | C11 | C10 | H17 | 103.0° | 65.0° |
| H16 | C11 | C10 | H17 | 16.2° | 175.0° |
| H17 | C10 | C23 | H21 | 168.6° | 65.0° |
| H17 | C10 | C23 | H22 | 72.7° | 175.0° |
| H23 | C27 | C28 | H25 | 173.4° | 180.0° |
| H23 | C27 | C28 | H26 | 66.8° | 60.0° |
| H24 | C27 | C28 | H25 | 53.2° | 60.0° |
| H24 | C27 | C28 | H26 | 173.1° | 180.0° |
| H25 | C28 | C29 | H27 | 96.8° | 180.0° |
| H25 | C28 | C29 | H28 | 143.6° | 60.0° |
| H26 | C28 | C29 | H27 | 23.1° | 60.0° |
| H26 | C28 | C29 | H28 | 96.6° | 180.0° |
| H27 | C29 | C30 | H29 | 119.5° | 180.0° |
| H27 | C29 | C30 | H30 | 0.1° | 60.0° |
| H28 | C29 | C30 | H29 | 120.9° | 60.0° |
| H28 | C29 | C30 | H30 | 119.6° | 180.0° |
| H29 | C30 | C31 | H31 | 150.9° | 180.0° |
| H29 | C30 | C31 | H32 | 29.3° | 60.0° |
| H30 | C30 | C31 | H31 | 89.5° | 60.0° |
| H30 | C30 | C31 | H32 | 148.8° | 180.0° |
| H31 | C31 | C32 | H33 | 147.6° | 180.0° |
| H31 | C31 | C32 | H34 | 92.6° | 60.1° |
| H32 | C31 | C32 | H33 | 25.9° | 60.1° |
| H32 | C31 | C32 | H34 | 145.7° | 180.0° |
| H33 | C32 | C33 | H35 | 114.2° | 180.0° |
| H33 | C32 | C33 | H36 | 5.8° | 60.0° |
| H34 | C32 | C33 | H35 | 126.0° | 60.0° |
| H34 | C32 | C33 | H36 | 113.9° | 180.0° |
| H35 | C33 | C34 | H37 | 152.7° | 180.0° |
| H35 | C33 | C34 | H38 | 31.6° | 60.0° |
| H36 | C33 | C34 | H37 | 87.2° | 60.0° |
| H36 | C33 | C34 | H38 | 151.7° | 180.0° |
| H37 | C34 | C35 | H39 | 88.8° | 180.0° |
| H37 | C34 | C35 | H40 | 30.5° | 60.0° |
| H38 | C34 | C35 | H39 | 150.0° | 60.0° |
| H38 | C34 | C35 | H40 | 90.6° | 180.0° |
| H39 | C35 | C36 | H41 | 173.9° | 180.0° |
| H39 | C35 | C36 | H42 | 54.4° | 60.0° |
| H40 | C35 | C36 | H41 | 66.7° | 60.0° |
| H40 | C35 | C36 | H42 | 173.7° | 180.0° |
| H41 | C36 | C37 | H43 | 145.9° | 180.0° |
| H41 | C36 | C37 | H44 | 25.1° | 60.0° |
| H42 | C36 | C37 | H43 | 94.6° | 60.0° |
| H42 | C36 | C37 | H44 | 144.7° | 180.0° |
| H43 | C37 | C38 | H45 | 151.4° | 180.0° |
| H43 | C37 | C38 | H46 | 88.2° | 60.0° |
| H44 | C37 | C38 | H45 | 30.7° | 60.0° |
| H44 | C37 | C38 | H46 | 151.1° | 180.0° |
| H45 | C38 | C39 | H47 | 60.2° | 180.0° |
| H45 | C38 | C39 | H48 | 59.8° | 60.0° |
| H45 | C38 | C39 | H49 | 179.8° | 60.0° |
| H46 | C38 | C39 | H47 | 60.2° | 60.0° |
| H46 | C38 | C39 | H48 | 179.8° | 180.0° |
| H46 | C38 | C39 | H49 | 59.8° | 60.0° |
| H47 | C39 | H48 | H49 | 120.0° | 120.0° |
