UKL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N63 | C62 | sing | 1.38Å | 1.34Å | |
| C62 | N61 | doub | 1.33Å | 1.35Å | Aromatic |
| C62 | C57 | sing | 1.41Å | 1.41Å | Aromatic |
| N61 | C60 | sing | 1.32Å | 1.34Å | Aromatic |
| C57 | N56 | sing | 1.35Å | 1.39Å | Aromatic |
| C57 | C58 | doub | 1.40Å | 1.39Å | Aromatic |
| N56 | C55 | doub | 1.30Å | 1.31Å | Aromatic |
| C60 | N59 | doub | 1.32Å | 1.34Å | Aromatic |
| O42 | P40 | doub | 1.48Å | 1.53Å | |
| C58 | N59 | sing | 1.33Å | 1.34Å | Aromatic |
| C58 | N54 | sing | 1.37Å | 1.37Å | Aromatic |
| C55 | N54 | sing | 1.36Å | 1.37Å | Aromatic |
| N54 | C51 | sing | 1.46Å | 1.46Å | |
| P40 | O41 | sing | 1.61Å | 1.48Å | |
| P40 | O39 | sing | 1.61Å | 1.59Å | |
| P40 | O43 | sing | 1.61Å | 1.63Å | |
| O67 | P66 | doub | 1.48Å | 1.49Å | |
| O39 | P36 | sing | 1.61Å | 1.59Å | |
| O43 | C44 | sing | 1.43Å | 1.45Å | |
| O28 | C27 | doub | 1.21Å | 1.23Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | N26 | sing | 1.46Å | 1.46Å | |
| C51 | C49 | sing | 1.55Å | 1.53Å | |
| C51 | O53 | sing | 1.44Å | 1.42Å | |
| C49 | C47 | sing | 1.55Å | 1.52Å | |
| C49 | O64 | sing | 1.43Å | 1.42Å | |
| O68 | P66 | sing | 1.61Å | 1.54Å | |
| C47 | O65 | sing | 1.43Å | 1.44Å | |
| C47 | C45 | sing | 1.54Å | 1.53Å | |
| P66 | O65 | sing | 1.61Å | 1.61Å | |
| P66 | O69 | sing | 1.61Å | 1.53Å | |
| C24 | C22 | sing | 1.51Å | 1.51Å | |
| O53 | C45 | sing | 1.44Å | 1.44Å | |
| O37 | P36 | doub | 1.48Å | 1.47Å | |
| C27 | N26 | sing | 1.35Å | 1.33Å | |
| C27 | C29 | sing | 1.51Å | 1.52Å | |
| P36 | O35 | sing | 1.61Å | 1.62Å | |
| P36 | O38 | sing | 1.61Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.51Å | |
| O35 | C34 | sing | 1.43Å | 1.44Å | |
| C22 | O23 | doub | 1.21Å | 1.23Å | |
| C22 | N21 | sing | 1.35Å | 1.33Å | |
| C34 | C31 | sing | 1.53Å | 1.52Å | |
| C19 | S18 | sing | 1.81Å | 1.81Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C29 | O70 | sing | 1.43Å | 1.42Å | |
| N21 | C20 | sing | 1.47Å | 1.46Å | |
| C17 | S18 | sing | 1.81Å | 1.81Å | |
| C17 | C15 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C15 | O16 | doub | 1.21Å | 1.21Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C47 | H1 | sing | 1.09Å | 1.10Å | |
| C33 | H2 | sing | 1.09Å | 1.10Å | |
| C33 | H3 | sing | 1.09Å | 1.10Å | |
| C33 | H4 | sing | 1.09Å | 1.10Å | |
| C34 | H5 | sing | 1.09Å | 1.10Å | |
| C34 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C32 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H33 | sing | 1.09Å | 1.10Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å | |
| C12 | H39 | sing | 1.09Å | 1.10Å | |
| C12 | H40 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| C14 | H42 | sing | 1.09Å | 1.10Å | |
| C17 | H43 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| N21 | H45 | sing | 0.97Å | 1.00Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| N26 | H50 | sing | 0.97Å | 1.00Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| O38 | H52 | sing | 0.97Å | 0.95Å | |
| O41 | H53 | sing | 0.97Å | 0.95Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C45 | H56 | sing | 1.09Å | 1.10Å | |
| C49 | H57 | sing | 1.09Å | 1.10Å | |
| C51 | H58 | sing | 1.09Å | 1.10Å | |
| C55 | H59 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| N63 | H61 | sing | 0.97Å | 1.00Å | |
| N63 | H62 | sing | 0.97Å | 1.00Å | |
| O64 | H63 | sing | 0.97Å | 0.95Å | |
| O68 | H64 | sing | 0.97Å | 0.95Å | |
| O69 | H65 | sing | 0.97Å | 0.95Å | |
| O70 | H66 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N63 | C62 | N61 | 118.5° | 120.7° |
| N63 | C62 | C57 | 123.8° | 120.8° |
| C62 | N63 | H61 | 109.5° | 120.0° |
| C62 | N63 | H62 | 109.5° | 120.0° |
| N61 | C62 | C57 | 117.7° | 118.5° |
| C62 | N61 | C60 | 118.8° | 121.2° |
| C62 | C57 | N56 | 132.4° | 134.7° |
| C62 | C57 | C58 | 116.9° | 118.2° |
| N61 | C60 | N59 | 128.7° | 122.5° |
| N61 | C60 | H60 | 115.6° | 118.8° |
| N56 | C57 | C58 | 110.7° | 107.1° |
| C57 | N56 | C55 | 103.7° | 109.4° |
| C57 | C58 | N59 | 126.7° | 119.1° |
| C57 | C58 | N54 | 105.8° | 106.0° |
| N56 | C55 | N54 | 114.1° | 110.0° |
| N56 | C55 | H59 | 122.9° | 125.0° |
| C60 | N59 | C58 | 111.1° | 120.7° |
| N59 | C60 | H60 | 115.7° | 118.7° |
| O42 | P40 | O41 | 114.4° | 109.5° |
| O42 | P40 | O39 | 106.5° | 109.5° |
| O42 | P40 | O43 | 106.4° | 109.4° |
| N59 | C58 | N54 | 127.5° | 134.9° |
| C58 | N54 | C55 | 105.7° | 107.4° |
| C58 | N54 | C51 | 126.6° | 126.2° |
| C55 | N54 | C51 | 127.7° | 126.3° |
| N54 | C55 | H59 | 122.9° | 125.0° |
| N54 | C51 | C49 | 113.6° | 110.6° |
| N54 | C51 | O53 | 108.8° | 110.6° |
| N54 | C51 | H58 | 109.3° | 110.7° |
| O41 | P40 | O39 | 111.8° | 109.5° |
| O41 | P40 | O43 | 113.0° | 109.5° |
| P40 | O41 | H53 | 109.5° | 114.0° |
| O39 | P40 | O43 | 104.0° | 109.5° |
| P40 | O39 | P36 | 133.5° | 133.9° |
| P40 | O43 | C44 | 121.5° | 123.0° |
| O67 | P66 | O68 | 113.3° | 109.5° |
| O67 | P66 | O65 | 109.1° | 109.5° |
| O67 | P66 | O69 | 113.0° | 109.5° |
| O39 | P36 | O37 | 108.6° | 109.5° |
| O39 | P36 | O35 | 107.0° | 109.4° |
| O39 | P36 | O38 | 107.1° | 109.5° |
| O43 | C44 | C45 | 110.9° | 109.4° |
| O43 | C44 | H54 | 109.1° | 109.5° |
| O43 | C44 | H55 | 109.1° | 109.5° |
| O28 | C27 | N26 | 123.1° | 119.9° |
| O28 | C27 | C29 | 120.5° | 120.0° |
| C24 | C25 | N26 | 112.6° | 109.5° |
| C25 | C24 | C22 | 112.9° | 109.5° |
| C25 | C24 | H46 | 108.6° | 109.5° |
| C25 | C24 | H47 | 108.6° | 109.5° |
| C24 | C25 | H48 | 108.7° | 109.5° |
| C24 | C25 | H49 | 108.7° | 109.5° |
| C25 | N26 | C27 | 122.8° | 120.0° |
| N26 | C25 | H48 | 108.7° | 109.5° |
| N26 | C25 | H49 | 108.7° | 109.5° |
| C25 | N26 | H50 | 118.6° | 120.0° |
| C49 | C51 | O53 | 106.8° | 103.5° |
| C51 | C49 | C47 | 99.8° | 102.1° |
| C51 | C49 | O64 | 111.0° | 110.9° |
| C51 | C49 | H57 | 110.6° | 111.0° |
| C49 | C51 | H58 | 108.4° | 110.6° |
| C51 | O53 | C45 | 109.8° | 107.0° |
| O53 | C51 | H58 | 109.9° | 110.6° |
| C47 | C49 | O64 | 111.8° | 110.9° |
| C49 | C47 | O65 | 113.0° | 110.5° |
| C49 | C47 | C45 | 101.6° | 104.2° |
| C49 | C47 | H1 | 110.4° | 110.6° |
| C47 | C49 | H57 | 110.7° | 110.9° |
| O64 | C49 | H57 | 112.3° | 110.8° |
| C49 | O64 | H63 | 109.5° | 114.0° |
| O68 | P66 | O65 | 106.0° | 109.5° |
| O68 | P66 | O69 | 108.3° | 109.5° |
| P66 | O68 | H64 | 109.5° | 114.0° |
| O65 | C47 | C45 | 109.3° | 110.5° |
| C47 | O65 | P66 | 123.8° | 123.0° |
| O65 | C47 | H1 | 111.6° | 110.5° |
| C47 | C45 | O53 | 103.4° | 107.3° |
| C47 | C45 | C44 | 116.9° | 109.9° |
| C45 | C47 | H1 | 110.4° | 110.5° |
| C47 | C45 | H56 | 108.3° | 109.9° |
| O65 | P66 | O69 | 106.8° | 109.5° |
| P66 | O69 | H65 | 109.5° | 114.0° |
| C24 | C22 | O23 | 121.5° | 120.0° |
| C24 | C22 | N21 | 115.7° | 120.0° |
| C22 | C24 | H46 | 108.6° | 109.5° |
| C22 | C24 | H47 | 108.6° | 109.4° |
| O53 | C45 | C44 | 110.1° | 109.9° |
| O53 | C45 | H56 | 109.4° | 110.0° |
| O37 | P36 | O35 | 112.7° | 109.4° |
| O37 | P36 | O38 | 115.1° | 109.5° |
| N26 | C27 | C29 | 116.4° | 120.0° |
| C27 | N26 | H50 | 118.6° | 120.0° |
| C27 | C29 | C31 | 114.7° | 109.5° |
| C27 | C29 | O70 | 110.3° | 109.5° |
| C27 | C29 | H51 | 106.0° | 109.5° |
| O35 | P36 | O38 | 106.0° | 109.5° |
| P36 | O35 | C34 | 122.1° | 123.0° |
| P36 | O38 | H52 | 109.5° | 114.0° |
| C45 | C44 | H54 | 109.1° | 109.4° |
| C45 | C44 | H55 | 109.1° | 109.5° |
| C44 | C45 | H56 | 108.5° | 109.9° |
| O35 | C34 | C31 | 110.3° | 109.5° |
| O35 | C34 | H5 | 109.3° | 109.5° |
| O35 | C34 | H6 | 109.3° | 109.4° |
| O23 | C22 | N21 | 122.8° | 120.0° |
| C22 | N21 | C20 | 123.0° | 120.0° |
| C22 | N21 | H45 | 118.5° | 120.1° |
| C34 | C31 | C29 | 113.0° | 109.5° |
| C34 | C31 | C32 | 108.3° | 109.4° |
| C34 | C31 | C33 | 108.3° | 109.5° |
| C31 | C34 | H5 | 109.2° | 109.5° |
| C31 | C34 | H6 | 109.2° | 109.4° |
| S18 | C19 | C20 | 112.7° | 109.5° |
| C19 | S18 | C17 | 101.7° | 103.0° |
| S18 | C19 | H24 | 108.7° | 109.6° |
| S18 | C19 | H25 | 108.6° | 109.5° |
| C19 | C20 | N21 | 112.4° | 109.5° |
| C19 | C20 | H20 | 108.7° | 109.5° |
| C19 | C20 | H21 | 108.7° | 109.4° |
| C20 | C19 | H24 | 108.7° | 109.4° |
| C20 | C19 | H25 | 108.7° | 109.5° |
| C31 | C29 | O70 | 112.2° | 109.5° |
| C29 | C31 | C32 | 109.2° | 109.5° |
| C29 | C31 | C33 | 108.3° | 109.5° |
| C31 | C29 | H51 | 105.7° | 109.5° |
| O70 | C29 | H51 | 107.3° | 109.4° |
| C29 | O70 | H66 | 109.5° | 113.9° |
| N21 | C20 | H20 | 108.7° | 109.5° |
| N21 | C20 | H21 | 108.7° | 109.4° |
| C20 | N21 | H45 | 118.5° | 120.0° |
| S18 | C17 | C15 | 111.5° | 109.4° |
| S18 | C17 | H43 | 109.0° | 109.4° |
| S18 | C17 | H44 | 109.0° | 109.5° |
| C17 | C15 | O16 | 121.5° | 120.0° |
| C17 | C15 | C14 | 117.3° | 120.0° |
| C15 | C17 | H43 | 108.9° | 109.5° |
| C15 | C17 | H44 | 109.0° | 109.4° |
| C32 | C31 | C33 | 109.7° | 109.5° |
| C31 | C32 | H7 | 109.5° | 109.5° |
| C31 | C32 | H8 | 109.5° | 109.5° |
| C31 | C32 | H9 | 109.5° | 109.5° |
| C31 | C33 | H2 | 109.5° | 109.5° |
| C31 | C33 | H3 | 109.5° | 109.5° |
| C31 | C33 | H4 | 109.5° | 109.5° |
| O16 | C15 | C14 | 121.3° | 120.0° |
| C15 | C14 | C13 | 115.1° | 109.5° |
| C15 | C14 | H41 | 108.0° | 109.5° |
| C15 | C14 | H42 | 108.0° | 109.5° |
| C14 | C13 | C12 | 112.5° | 109.5° |
| C14 | C13 | H18 | 108.7° | 109.5° |
| C14 | C13 | H19 | 108.7° | 109.4° |
| C13 | C14 | H41 | 108.1° | 109.5° |
| C13 | C14 | H42 | 108.0° | 109.5° |
| C13 | C12 | C11 | 113.8° | 109.5° |
| C12 | C13 | H18 | 108.7° | 109.5° |
| C12 | C13 | H19 | 108.7° | 109.5° |
| C13 | C12 | H39 | 108.4° | 109.5° |
| C13 | C12 | H40 | 108.4° | 109.5° |
| C12 | C11 | C10 | 113.7° | 109.5° |
| C12 | C11 | H37 | 108.4° | 109.4° |
| C12 | C11 | H38 | 108.4° | 109.4° |
| C11 | C12 | H39 | 108.4° | 109.4° |
| C11 | C12 | H40 | 108.4° | 109.4° |
| C11 | C10 | C9 | 114.0° | 109.4° |
| C11 | C10 | H35 | 108.3° | 109.5° |
| C11 | C10 | H36 | 108.3° | 109.5° |
| C10 | C11 | H37 | 108.4° | 109.5° |
| C10 | C11 | H38 | 108.4° | 109.5° |
| C10 | C9 | C8 | 114.0° | 109.5° |
| C10 | C9 | H16 | 108.3° | 109.5° |
| C10 | C9 | H17 | 108.3° | 109.4° |
| C9 | C10 | H35 | 108.3° | 109.5° |
| C9 | C10 | H36 | 108.3° | 109.4° |
| C6 | C7 | C8 | 113.9° | 109.5° |
| C7 | C6 | C5 | 114.6° | 109.5° |
| C6 | C7 | H12 | 108.3° | 109.5° |
| C6 | C7 | H13 | 108.3° | 109.4° |
| C7 | C6 | H14 | 108.2° | 109.4° |
| C7 | C6 | H15 | 108.2° | 109.5° |
| C7 | C8 | C9 | 114.0° | 109.5° |
| C8 | C7 | H12 | 108.3° | 109.5° |
| C8 | C7 | H13 | 108.4° | 109.4° |
| C7 | C8 | H22 | 108.3° | 109.5° |
| C7 | C8 | H23 | 108.3° | 109.4° |
| C8 | C9 | H16 | 108.3° | 109.5° |
| C8 | C9 | H17 | 108.3° | 109.4° |
| C9 | C8 | H22 | 108.3° | 109.5° |
| C9 | C8 | H23 | 108.3° | 109.4° |
| C6 | C5 | C4 | 113.7° | 109.5° |
| C5 | C6 | H14 | 108.2° | 109.4° |
| C5 | C6 | H15 | 108.2° | 109.5° |
| C6 | C5 | H33 | 108.4° | 109.5° |
| C6 | C5 | H34 | 108.4° | 109.5° |
| C5 | C4 | C3 | 114.0° | 109.5° |
| C5 | C4 | H10 | 108.3° | 109.5° |
| C5 | C4 | H11 | 108.3° | 109.5° |
| C4 | C5 | H33 | 108.4° | 109.5° |
| C4 | C5 | H34 | 108.4° | 109.5° |
| C4 | C3 | C2 | 114.3° | 109.5° |
| C3 | C4 | H10 | 108.3° | 109.4° |
| C3 | C4 | H11 | 108.3° | 109.4° |
| C4 | C3 | H31 | 108.3° | 109.5° |
| C4 | C3 | H32 | 108.3° | 109.4° |
| C3 | C2 | C1 | 113.2° | 109.5° |
| C3 | C2 | H29 | 108.6° | 109.5° |
| C3 | C2 | H30 | 108.5° | 109.5° |
| C2 | C3 | H31 | 108.3° | 109.5° |
| C2 | C3 | H32 | 108.2° | 109.5° |
| C2 | C1 | H26 | 109.5° | 109.4° |
| C2 | C1 | H27 | 109.5° | 109.5° |
| C2 | C1 | H28 | 109.5° | 109.5° |
| C1 | C2 | H29 | 108.5° | 109.5° |
| C1 | C2 | H30 | 108.5° | 109.5° |
| H2 | C33 | H3 | 109.5° | 109.5° |
| H2 | C33 | H4 | 109.5° | 109.5° |
| H3 | C33 | H4 | 109.4° | 109.4° |
| H5 | C34 | H6 | 109.5° | 109.5° |
| H7 | C32 | H8 | 109.4° | 109.5° |
| H7 | C32 | H9 | 109.5° | 109.5° |
| H8 | C32 | H9 | 109.5° | 109.5° |
| H10 | C4 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H14 | C6 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C8 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H26 | C1 | H27 | 109.5° | 109.4° |
| H26 | C1 | H28 | 109.5° | 109.4° |
| H27 | C1 | H28 | 109.5° | 109.5° |
| H29 | C2 | H30 | 109.4° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H33 | C5 | H34 | 109.5° | 109.4° |
| H35 | C10 | H36 | 109.4° | 109.5° |
| H37 | C11 | H38 | 109.5° | 109.5° |
| H39 | C12 | H40 | 109.5° | 109.4° |
| H41 | C14 | H42 | 109.5° | 109.4° |
| H43 | C17 | H44 | 109.5° | 109.6° |
| H46 | C24 | H47 | 109.5° | 109.5° |
| H48 | C25 | H49 | 109.5° | 109.5° |
| H54 | C44 | H55 | 109.5° | 109.5° |
| H61 | N63 | H62 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N63 | C62 | N61 | C57 | 179.8° | 179.6° |
| N63 | C62 | N61 | C60 | 179.8° | 180.0° |
| N63 | C62 | C57 | N56 | 0.2° | 0.4° |
| N63 | C62 | C57 | C58 | 179.6° | 180.0° |
| C62 | N63 | H61 | H62 | 120.0° | 180.0° |
| N61 | C62 | C57 | N56 | 179.6° | 179.9° |
| N61 | C62 | C57 | C58 | 0.2° | 0.4° |
| C62 | N61 | C60 | N59 | 0.1° | 0.2° |
| C62 | N61 | C60 | H60 | 179.9° | 179.8° |
| N61 | C62 | N63 | H61 | 0.0° | 0.1° |
| N61 | C62 | N63 | H62 | 120.0° | 180.0° |
| C57 | C62 | N61 | C60 | 0.0° | 0.4° |
| C62 | C57 | N56 | C58 | 179.4° | 179.7° |
| C62 | C57 | N56 | C55 | 179.1° | 179.9° |
| C62 | C57 | C58 | N59 | 0.4° | 0.2° |
| C62 | C57 | C58 | N54 | 179.3° | 179.9° |
| C57 | C62 | N63 | H61 | 179.8° | 179.6° |
| C57 | C62 | N63 | H62 | 59.8° | 0.4° |
| N61 | C60 | N59 | H60 | 180.0° | 179.9° |
| N61 | C60 | N59 | C58 | 0.1° | 0.0° |
| N56 | C57 | C58 | N59 | 179.9° | 180.0° |
| N56 | C57 | C58 | N54 | 0.2° | 0.4° |
| C57 | N56 | C55 | N54 | 0.2° | 0.0° |
| C57 | N56 | C55 | H59 | 179.8° | 180.0° |
| C58 | C57 | N56 | C55 | 0.3° | 0.2° |
| C57 | C58 | N59 | C60 | 0.4° | 0.0° |
| C57 | C58 | N59 | N54 | 179.6° | 179.6° |
| C57 | C58 | N54 | C55 | 0.1° | 0.4° |
| C57 | C58 | N54 | C51 | 179.7° | 179.9° |
| N56 | C55 | N54 | C58 | 0.0° | 0.2° |
| N56 | C55 | N54 | H59 | 180.0° | 180.0° |
| N56 | C55 | N54 | C51 | 179.5° | 180.0° |
| C60 | N59 | C58 | N54 | 179.3° | 179.6° |
| O42 | P40 | O41 | O39 | 121.2° | 120.0° |
| O42 | P40 | O41 | O43 | 121.9° | 120.0° |
| O42 | P40 | O39 | O43 | 112.2° | 120.0° |
| O42 | P40 | O39 | P36 | 163.3° | 45.1° |
| O42 | P40 | O43 | C44 | 174.6° | 55.0° |
| O42 | P40 | O41 | H53 | 0.0° | 180.0° |
| N59 | C58 | N54 | C55 | 179.8° | 180.0° |
| N59 | C58 | N54 | C51 | 0.6° | 0.3° |
| C58 | N59 | C60 | H60 | 179.9° | 180.0° |
| C58 | N54 | C55 | C51 | 179.6° | 179.8° |
| C58 | N54 | C51 | C49 | 85.0° | 84.8° |
| C58 | N54 | C51 | O53 | 156.1° | 161.2° |
| C58 | N54 | C51 | H58 | 36.1° | 38.2° |
| C58 | N54 | C55 | H59 | 179.9° | 179.8° |
| C55 | N54 | C51 | C49 | 94.5° | 95.0° |
| C55 | N54 | C51 | O53 | 24.4° | 19.1° |
| C55 | N54 | C51 | H58 | 144.4° | 142.0° |
| N54 | C51 | C49 | O53 | 120.0° | 118.5° |
| N54 | C51 | C49 | H58 | 121.7° | 123.1° |
| N54 | C51 | O53 | H58 | 119.6° | 123.0° |
| N54 | C51 | C49 | C47 | 89.7° | 155.5° |
| N54 | C51 | C49 | O64 | 152.3° | 86.3° |
| N54 | C51 | O53 | C45 | 116.5° | 158.5° |
| N54 | C51 | C49 | H57 | 27.0° | 37.3° |
| C51 | N54 | C55 | H59 | 0.5° | 0.0° |
| O41 | P40 | O39 | O43 | 122.2° | 120.0° |
| O41 | P40 | O39 | P36 | 37.7° | 75.0° |
| O41 | P40 | O43 | C44 | 48.3° | 65.0° |
| O39 | P40 | O43 | C44 | 73.1° | 175.0° |
| P40 | O39 | P36 | O37 | 155.0° | 45.0° |
| P40 | O39 | P36 | O35 | 33.1° | 165.0° |
| P40 | O39 | P36 | O38 | 80.2° | 75.0° |
| O39 | P40 | O41 | H53 | 121.1° | 60.0° |
| O43 | P40 | O39 | P36 | 84.6° | 165.0° |
| P40 | O43 | C44 | C45 | 134.2° | 180.0° |
| O43 | P40 | O41 | H53 | 121.9° | 60.0° |
| P40 | O43 | C44 | H54 | 105.5° | 60.1° |
| P40 | O43 | C44 | H55 | 14.0° | 60.0° |
| O67 | P66 | O68 | O65 | 119.6° | 120.0° |
| O67 | P66 | O68 | O69 | 126.1° | 120.0° |
| O67 | P66 | O65 | C47 | 42.9° | 55.0° |
| O67 | P66 | O65 | O69 | 122.4° | 120.0° |
| O67 | P66 | O68 | H64 | 0.0° | 60.0° |
| O67 | P66 | O69 | H65 | 0.0° | 180.0° |
| O39 | P36 | O37 | O35 | 118.3° | 120.0° |
| O39 | P36 | O37 | O38 | 120.0° | 120.1° |
| O39 | P36 | O35 | O38 | 114.0° | 120.0° |
| O39 | P36 | O35 | C34 | 151.7° | 175.0° |
| O39 | P36 | O38 | H52 | 120.8° | 60.0° |
| O43 | C44 | C45 | C47 | 37.4° | 175.0° |
| O43 | C44 | C45 | O53 | 80.1° | 67.2° |
| O43 | C44 | C45 | H54 | 120.2° | 120.0° |
| O43 | C44 | C45 | H55 | 120.2° | 120.0° |
| O43 | C44 | H54 | H55 | 119.3° | 120.1° |
| O43 | C44 | C45 | H56 | 160.1° | 54.0° |
| O28 | C27 | N26 | C25 | 12.3° | 4.8° |
| O28 | C27 | N26 | C29 | 178.6° | 180.0° |
| O28 | C27 | C29 | C31 | 77.8° | 109.2° |
| O28 | C27 | C29 | O70 | 154.3° | 10.8° |
| O28 | C27 | N26 | H50 | 167.7° | 175.2° |
| O28 | C27 | C29 | H51 | 38.5° | 130.7° |
| C24 | C25 | N26 | H48 | 120.4° | 120.0° |
| C24 | C25 | N26 | H49 | 120.5° | 120.0° |
| C25 | C24 | C22 | H46 | 120.5° | 120.0° |
| C25 | C24 | C22 | H47 | 120.5° | 120.0° |
| C24 | C25 | N26 | C27 | 158.2° | 180.0° |
| C25 | C24 | C22 | O23 | 18.7° | 0.0° |
| C25 | C24 | C22 | N21 | 161.7° | 180.0° |
| C25 | C24 | H46 | H47 | 118.4° | 120.0° |
| C24 | C25 | H48 | H49 | 118.6° | 120.0° |
| C24 | C25 | N26 | H50 | 21.7° | 0.0° |
| N26 | C25 | C24 | C22 | 50.8° | 180.0° |
| C25 | N26 | C27 | H50 | 180.0° | 180.0° |
| C25 | N26 | C27 | C29 | 169.1° | 175.2° |
| N26 | C25 | C24 | H46 | 171.3° | 60.0° |
| N26 | C25 | C24 | H47 | 69.7° | 60.0° |
| N26 | C25 | H48 | H49 | 118.6° | 120.0° |
| C49 | C51 | O53 | H58 | 117.4° | 118.5° |
| C51 | C49 | C47 | O64 | 117.4° | 118.2° |
| C51 | C49 | C47 | H57 | 116.6° | 118.3° |
| C51 | C49 | O64 | H57 | 124.4° | 123.7° |
| C51 | C49 | C47 | O65 | 158.3° | 97.8° |
| C51 | C49 | C47 | C45 | 41.3° | 20.9° |
| C49 | C51 | O53 | C45 | 6.5° | 40.1° |
| C51 | C49 | C47 | H1 | 75.9° | 139.6° |
| C51 | C49 | O64 | H63 | 180.0° | 67.3° |
| O53 | C51 | C49 | C47 | 30.3° | 37.0° |
| O53 | C51 | C49 | O64 | 87.7° | 155.2° |
| C51 | O53 | C45 | C47 | 20.3° | 26.5° |
| C51 | O53 | C45 | C44 | 145.9° | 145.9° |
| C51 | O53 | C45 | H56 | 94.9° | 93.0° |
| O53 | C51 | C49 | H57 | 147.0° | 81.2° |
| C47 | C49 | O64 | H57 | 125.2° | 123.6° |
| C49 | C47 | O65 | C45 | 112.4° | 114.7° |
| C49 | C47 | O65 | H1 | 125.2° | 122.7° |
| C49 | C47 | C45 | H1 | 117.2° | 118.8° |
| C49 | C47 | O65 | P66 | 116.2° | 125.2° |
| C49 | C47 | C45 | O53 | 38.8° | 2.0° |
| C49 | C47 | C45 | C44 | 160.0° | 121.5° |
| C49 | C47 | C45 | H56 | 77.2° | 117.6° |
| C47 | C49 | C51 | H58 | 148.6° | 81.4° |
| C47 | C49 | O64 | H63 | 69.5° | 180.0° |
| O64 | C49 | C47 | O65 | 40.9° | 20.4° |
| O64 | C49 | C47 | C45 | 76.1° | 139.1° |
| O64 | C49 | C47 | H1 | 166.7° | 102.2° |
| O64 | C49 | C51 | H58 | 30.7° | 36.7° |
| O68 | P66 | O65 | C47 | 79.4° | 175.0° |
| O68 | P66 | O65 | O69 | 115.3° | 120.0° |
| O68 | P66 | O69 | H65 | 126.3° | 60.0° |
| O65 | C47 | C45 | H1 | 123.2° | 122.5° |
| C47 | O65 | P66 | O69 | 165.3° | 65.0° |
| O65 | C47 | C45 | O53 | 158.4° | 120.7° |
| O65 | C47 | C45 | C44 | 80.4° | 119.9° |
| O65 | C47 | C45 | H56 | 42.4° | 1.1° |
| O65 | C47 | C49 | H57 | 85.1° | 144.0° |
| C45 | C47 | O65 | P66 | 131.4° | 120.0° |
| C47 | C45 | O53 | C44 | 125.6° | 119.4° |
| C47 | C45 | O53 | H56 | 115.2° | 119.5° |
| C47 | C45 | C44 | H56 | 122.7° | 121.0° |
| C47 | C45 | C44 | H54 | 82.8° | 65.0° |
| C47 | C45 | C44 | H55 | 157.6° | 55.0° |
| C45 | C47 | C49 | H57 | 157.9° | 97.4° |
| P66 | O65 | C47 | H1 | 8.9° | 2.5° |
| O65 | P66 | O68 | H64 | 119.5° | 179.9° |
| O65 | P66 | O69 | H65 | 119.9° | 60.0° |
| O69 | P66 | O68 | H64 | 126.2° | 60.1° |
| C24 | C22 | O23 | N21 | 179.5° | 179.9° |
| C24 | C22 | N21 | C20 | 146.3° | 180.0° |
| C24 | C22 | N21 | H45 | 33.7° | 0.1° |
| C22 | C24 | H46 | H47 | 118.4° | 120.0° |
| C22 | C24 | C25 | H48 | 171.2° | 60.0° |
| C22 | C24 | C25 | H49 | 69.7° | 60.0° |
| O53 | C45 | C44 | H56 | 119.7° | 121.2° |
| O53 | C45 | C47 | H1 | 78.4° | 116.8° |
| O53 | C45 | C44 | H54 | 159.6° | 52.8° |
| O53 | C45 | C44 | H55 | 40.1° | 172.8° |
| C45 | O53 | C51 | H58 | 123.9° | 78.4° |
| O37 | P36 | O35 | O38 | 126.7° | 120.0° |
| O37 | P36 | O35 | C34 | 32.4° | 55.0° |
| O37 | P36 | O38 | H52 | 0.0° | 179.9° |
| N26 | C27 | C29 | C31 | 103.5° | 70.8° |
| N26 | C27 | C29 | O70 | 24.4° | 169.2° |
| C27 | N26 | C25 | H48 | 81.3° | 60.0° |
| C27 | N26 | C25 | H49 | 37.8° | 60.0° |
| N26 | C27 | C29 | H51 | 140.2° | 49.2° |
| C27 | C29 | C31 | C34 | 54.6° | 54.3° |
| C27 | C29 | C31 | O70 | 126.9° | 120.0° |
| C27 | C29 | C31 | H51 | 116.4° | 120.0° |
| C27 | C29 | O70 | H51 | 115.1° | 120.0° |
| C27 | C29 | C31 | C32 | 66.0° | 65.7° |
| C27 | C29 | C31 | C33 | 174.6° | 174.3° |
| C29 | C27 | N26 | H50 | 10.9° | 4.8° |
| C27 | C29 | O70 | H66 | 180.0° | 60.0° |
| P36 | O35 | C34 | C31 | 133.7° | 180.0° |
| P36 | O35 | C34 | H5 | 13.6° | 60.0° |
| P36 | O35 | C34 | H6 | 106.2° | 60.0° |
| O35 | P36 | O38 | H52 | 125.3° | 59.9° |
| O38 | P36 | O35 | C34 | 94.3° | 65.0° |
| C44 | C45 | C47 | H1 | 42.8° | 2.7° |
| C45 | C44 | H54 | H55 | 119.4° | 120.0° |
| O35 | C34 | C31 | H5 | 120.1° | 120.0° |
| O35 | C34 | C31 | H6 | 120.2° | 119.9° |
| O35 | C34 | C31 | C29 | 50.5° | 180.0° |
| O35 | C34 | C31 | C32 | 171.7° | 60.0° |
| O35 | C34 | C31 | C33 | 69.4° | 59.9° |
| O35 | C34 | H5 | H6 | 119.6° | 120.0° |
| O23 | C22 | N21 | C20 | 33.3° | 0.1° |
| O23 | C22 | N21 | H45 | 146.7° | 180.0° |
| O23 | C22 | C24 | H46 | 101.8° | 120.0° |
| O23 | C22 | C24 | H47 | 139.2° | 120.0° |
| C22 | N21 | C20 | C19 | 53.3° | 180.0° |
| C22 | N21 | C20 | H45 | 180.0° | 179.9° |
| C22 | N21 | C20 | H20 | 67.1° | 59.9° |
| C22 | N21 | C20 | H21 | 173.8° | 60.1° |
| N21 | C22 | C24 | H46 | 77.7° | 60.0° |
| N21 | C22 | C24 | H47 | 41.2° | 60.0° |
| C34 | C31 | C29 | C32 | 120.6° | 120.0° |
| C34 | C31 | C29 | C33 | 120.0° | 120.1° |
| C34 | C31 | C29 | O70 | 178.5° | 65.7° |
| C34 | C31 | C32 | C33 | 118.0° | 120.0° |
| C34 | C31 | C33 | H2 | 180.0° | 53.2° |
| C34 | C31 | C33 | H3 | 60.0° | 173.3° |
| C34 | C31 | C33 | H4 | 60.0° | 66.8° |
| C31 | C34 | H5 | H6 | 119.6° | 120.0° |
| C34 | C31 | C32 | H7 | 180.0° | 65.3° |
| C34 | C31 | C32 | H8 | 60.0° | 174.7° |
| C34 | C31 | C32 | H9 | 60.0° | 54.7° |
| C34 | C31 | C29 | H51 | 61.8° | 174.3° |
| S18 | C19 | C20 | H24 | 120.5° | 120.1° |
| S18 | C19 | C20 | H25 | 120.5° | 120.0° |
| S18 | C19 | C20 | N21 | 171.9° | 179.9° |
| C19 | S18 | C17 | C15 | 158.7° | 180.0° |
| S18 | C19 | C20 | H20 | 67.6° | 60.0° |
| S18 | C19 | C20 | H21 | 51.5° | 60.0° |
| S18 | C19 | H24 | H25 | 118.5° | 120.0° |
| C19 | S18 | C17 | H43 | 81.0° | 60.0° |
| C19 | S18 | C17 | H44 | 38.4° | 60.0° |
| C19 | C20 | N21 | H20 | 120.5° | 120.1° |
| C19 | C20 | N21 | H21 | 120.4° | 119.9° |
| C20 | C19 | S18 | C17 | 87.6° | 180.0° |
| C19 | C20 | H20 | H21 | 118.6° | 119.9° |
| C20 | C19 | H24 | H25 | 118.5° | 119.9° |
| C19 | C20 | N21 | H45 | 126.7° | 0.1° |
| C31 | C29 | O70 | H51 | 115.7° | 120.1° |
| C29 | C31 | C32 | C33 | 118.5° | 120.0° |
| C29 | C31 | C33 | H2 | 57.1° | 66.8° |
| C29 | C31 | C33 | H3 | 62.9° | 53.2° |
| C29 | C31 | C33 | H4 | 177.1° | 173.2° |
| C29 | C31 | C34 | H5 | 170.6° | 60.0° |
| C29 | C31 | C34 | H6 | 69.6° | 60.0° |
| C29 | C31 | C32 | H7 | 56.5° | 174.7° |
| C29 | C31 | C32 | H8 | 176.5° | 54.7° |
| C29 | C31 | C32 | H9 | 63.5° | 65.3° |
| C31 | C29 | O70 | H66 | 50.8° | 60.0° |
| O70 | C29 | C31 | C32 | 60.9° | 174.3° |
| O70 | C29 | C31 | C33 | 58.5° | 54.3° |
| N21 | C20 | H20 | H21 | 118.6° | 120.0° |
| N21 | C20 | C19 | H24 | 51.4° | 60.0° |
| N21 | C20 | C19 | H25 | 67.6° | 59.9° |
| S18 | C17 | C15 | H43 | 120.3° | 119.9° |
| S18 | C17 | C15 | H44 | 120.3° | 120.0° |
| S18 | C17 | C15 | O16 | 60.2° | 0.0° |
| S18 | C17 | C15 | C14 | 119.5° | 180.0° |
| C17 | S18 | C19 | H24 | 32.9° | 60.0° |
| C17 | S18 | C19 | H25 | 151.9° | 60.0° |
| S18 | C17 | H43 | H44 | 119.1° | 120.0° |
| C17 | C15 | O16 | C14 | 179.6° | 179.9° |
| C17 | C15 | C14 | C13 | 159.6° | 180.0° |
| C17 | C15 | C14 | H41 | 79.5° | 59.9° |
| C17 | C15 | C14 | H42 | 38.8° | 60.0° |
| C15 | C17 | H43 | H44 | 119.1° | 120.0° |
| C32 | C31 | C33 | H2 | 62.0° | 173.2° |
| C32 | C31 | C33 | H3 | 178.0° | 66.7° |
| C32 | C31 | C33 | H4 | 58.0° | 53.2° |
| C32 | C31 | C34 | H5 | 68.2° | 60.0° |
| C32 | C31 | C34 | H6 | 51.5° | 180.0° |
| C31 | C32 | H7 | H8 | 120.0° | 120.0° |
| C31 | C32 | H7 | H9 | 120.0° | 120.0° |
| C31 | C32 | H8 | H9 | 120.0° | 120.0° |
| C32 | C31 | C29 | H51 | 177.6° | 54.3° |
| C31 | C33 | H2 | H3 | 120.0° | 120.0° |
| C31 | C33 | H2 | H4 | 120.0° | 120.0° |
| C31 | C33 | H3 | H4 | 120.0° | 120.0° |
| C33 | C31 | C34 | H5 | 50.7° | 180.0° |
| C33 | C31 | C34 | H6 | 170.4° | 60.0° |
| C33 | C31 | C32 | H7 | 62.0° | 54.7° |
| C33 | C31 | C32 | H8 | 58.0° | 65.3° |
| C33 | C31 | C32 | H9 | 178.0° | 174.7° |
| C33 | C31 | C29 | H51 | 58.2° | 65.7° |
| O16 | C15 | C14 | C13 | 20.0° | 0.0° |
| O16 | C15 | C14 | H41 | 100.8° | 120.0° |
| O16 | C15 | C14 | H42 | 140.8° | 120.1° |
| O16 | C15 | C17 | H43 | 60.1° | 119.9° |
| O16 | C15 | C17 | H44 | 179.5° | 120.0° |
| C15 | C14 | C13 | H41 | 120.8° | 120.0° |
| C15 | C14 | C13 | H42 | 120.8° | 120.0° |
| C15 | C14 | C13 | C12 | 169.9° | 180.0° |
| C15 | C14 | C13 | H18 | 69.7° | 59.9° |
| C15 | C14 | C13 | H19 | 49.4° | 60.0° |
| C15 | C14 | H41 | H42 | 117.4° | 120.0° |
| C14 | C15 | C17 | H43 | 120.2° | 60.0° |
| C14 | C15 | C17 | H44 | 0.8° | 60.1° |
| C14 | C13 | C12 | H18 | 120.4° | 120.1° |
| C14 | C13 | C12 | H19 | 120.5° | 120.0° |
| C14 | C13 | C12 | C11 | 176.8° | 180.0° |
| C14 | C13 | H18 | H19 | 118.6° | 120.0° |
| C14 | C13 | C12 | H39 | 56.1° | 60.0° |
| C14 | C13 | C12 | H40 | 62.6° | 60.0° |
| C13 | C14 | H41 | H42 | 117.4° | 120.0° |
| C13 | C12 | C11 | H39 | 120.7° | 120.1° |
| C13 | C12 | C11 | H40 | 120.6° | 120.1° |
| C13 | C12 | C11 | C10 | 176.6° | 180.0° |
| C12 | C13 | H18 | H19 | 118.6° | 120.0° |
| C13 | C12 | C11 | H37 | 62.8° | 60.0° |
| C13 | C12 | C11 | H38 | 56.0° | 60.0° |
| C13 | C12 | H39 | H40 | 118.0° | 120.1° |
| C12 | C13 | C14 | H41 | 49.0° | 60.0° |
| C12 | C13 | C14 | H42 | 69.3° | 60.0° |
| C12 | C11 | C10 | H37 | 120.6° | 120.0° |
| C12 | C11 | C10 | H38 | 120.6° | 120.0° |
| C12 | C11 | C10 | C9 | 137.0° | 180.0° |
| C11 | C12 | C13 | H18 | 62.8° | 60.0° |
| C11 | C12 | C13 | H19 | 56.3° | 60.0° |
| C12 | C11 | C10 | H35 | 16.2° | 60.0° |
| C12 | C11 | C10 | H36 | 102.4° | 60.0° |
| C12 | C11 | H37 | H38 | 118.1° | 120.0° |
| C11 | C12 | H39 | H40 | 118.0° | 119.9° |
| C11 | C10 | C9 | H35 | 120.7° | 120.1° |
| C11 | C10 | C9 | H36 | 120.7° | 120.0° |
| C11 | C10 | C9 | C8 | 177.0° | 180.0° |
| C11 | C10 | C9 | H16 | 62.4° | 59.9° |
| C11 | C10 | C9 | H17 | 56.3° | 60.0° |
| C11 | C10 | H35 | H36 | 117.9° | 120.1° |
| C10 | C11 | H37 | H38 | 118.1° | 120.1° |
| C10 | C11 | C12 | H39 | 55.9° | 59.9° |
| C10 | C11 | C12 | H40 | 62.8° | 59.9° |
| C10 | C9 | C8 | C7 | 116.9° | 180.0° |
| C10 | C9 | C8 | H16 | 120.7° | 120.1° |
| C10 | C9 | C8 | H17 | 120.7° | 119.9° |
| C10 | C9 | H16 | H17 | 118.0° | 120.0° |
| C10 | C9 | C8 | H22 | 122.4° | 60.0° |
| C10 | C9 | C8 | H23 | 3.8° | 60.1° |
| C9 | C10 | H35 | H36 | 117.9° | 120.0° |
| C9 | C10 | C11 | H37 | 102.4° | 60.0° |
| C9 | C10 | C11 | H38 | 16.4° | 60.1° |
| C6 | C7 | C8 | H12 | 120.6° | 120.1° |
| C6 | C7 | C8 | H13 | 120.6° | 119.9° |
| C6 | C7 | C8 | C9 | 168.3° | 180.0° |
| C7 | C6 | C5 | H14 | 120.8° | 120.0° |
| C7 | C6 | C5 | H15 | 120.8° | 120.1° |
| C7 | C6 | C5 | C4 | 162.0° | 180.0° |
| C6 | C7 | H12 | H13 | 118.0° | 120.0° |
| C7 | C6 | H14 | H15 | 117.6° | 120.0° |
| C6 | C7 | C8 | H22 | 71.1° | 60.0° |
| C6 | C7 | C8 | H23 | 47.6° | 60.1° |
| C7 | C6 | C5 | H33 | 41.4° | 60.0° |
| C7 | C6 | C5 | H34 | 77.3° | 60.0° |
| C7 | C8 | C9 | H22 | 120.7° | 120.0° |
| C7 | C8 | C9 | H23 | 120.7° | 119.9° |
| C8 | C7 | C6 | C5 | 132.6° | 180.0° |
| C8 | C7 | H12 | H13 | 118.0° | 120.0° |
| C8 | C7 | C6 | H14 | 106.6° | 60.1° |
| C8 | C7 | C6 | H15 | 11.8° | 59.9° |
| C7 | C8 | C9 | H16 | 122.5° | 59.9° |
| C7 | C8 | C9 | H17 | 3.8° | 60.1° |
| C7 | C8 | H22 | H23 | 118.0° | 120.0° |
| C9 | C8 | C7 | H12 | 47.6° | 59.9° |
| C9 | C8 | C7 | H13 | 71.1° | 60.1° |
| C8 | C9 | H16 | H17 | 117.9° | 120.0° |
| C9 | C8 | H22 | H23 | 117.9° | 120.0° |
| C8 | C9 | C10 | H35 | 56.3° | 59.9° |
| C8 | C9 | C10 | H36 | 62.3° | 60.1° |
| C6 | C5 | C4 | H33 | 120.7° | 120.0° |
| C6 | C5 | C4 | H34 | 120.6° | 120.0° |
| C6 | C5 | C4 | C3 | 135.1° | 180.0° |
| C6 | C5 | C4 | H10 | 14.4° | 60.0° |
| C6 | C5 | C4 | H11 | 104.2° | 60.0° |
| C5 | C6 | C7 | H12 | 106.8° | 59.9° |
| C5 | C6 | C7 | H13 | 11.9° | 60.1° |
| C5 | C6 | H14 | H15 | 117.7° | 120.0° |
| C6 | C5 | H33 | H34 | 118.1° | 120.0° |
| C5 | C4 | C3 | H10 | 120.7° | 120.0° |
| C5 | C4 | C3 | H11 | 120.7° | 120.0° |
| C5 | C4 | C3 | C2 | 176.0° | 180.0° |
| C5 | C4 | H10 | H11 | 117.9° | 120.0° |
| C4 | C5 | C6 | H14 | 77.2° | 60.0° |
| C4 | C5 | C6 | H15 | 41.3° | 60.0° |
| C5 | C4 | C3 | H31 | 55.3° | 60.0° |
| C5 | C4 | C3 | H32 | 63.3° | 59.9° |
| C4 | C5 | H33 | H34 | 118.0° | 120.0° |
| C4 | C3 | C2 | H31 | 120.7° | 120.0° |
| C4 | C3 | C2 | H32 | 120.7° | 120.0° |
| C4 | C3 | C2 | C1 | 176.3° | 180.0° |
| C3 | C4 | H10 | H11 | 117.9° | 120.0° |
| C4 | C3 | C2 | H29 | 55.7° | 60.0° |
| C4 | C3 | C2 | H30 | 63.1° | 60.0° |
| C4 | C3 | H31 | H32 | 117.8° | 119.9° |
| C3 | C4 | C5 | H33 | 104.2° | 60.0° |
| C3 | C4 | C5 | H34 | 14.5° | 60.0° |
| C3 | C2 | C1 | H29 | 120.6° | 120.0° |
| C3 | C2 | C1 | H30 | 120.6° | 120.0° |
| C2 | C3 | C4 | H10 | 63.3° | 60.0° |
| C2 | C3 | C4 | H11 | 55.3° | 60.0° |
| C3 | C2 | C1 | H26 | 180.0° | 60.0° |
| C3 | C2 | C1 | H27 | 60.0° | 59.9° |
| C3 | C2 | C1 | H28 | 60.0° | 180.0° |
| C3 | C2 | H29 | H30 | 118.3° | 120.0° |
| C2 | C3 | H31 | H32 | 117.8° | 120.0° |
| C2 | C1 | H26 | H27 | 120.0° | 120.0° |
| C2 | C1 | H26 | H28 | 120.0° | 120.0° |
| C2 | C1 | H27 | H28 | 120.0° | 120.1° |
| C1 | C2 | H29 | H30 | 118.3° | 120.0° |
| C1 | C2 | C3 | H31 | 63.0° | 60.0° |
| C1 | C2 | C3 | H32 | 55.6° | 60.0° |
| H1 | C47 | C45 | H56 | 165.6° | 123.6° |
| H1 | C47 | C49 | H57 | 40.7° | 21.3° |
| H2 | C33 | H3 | H4 | 120.0° | 120.0° |
| H7 | C32 | H8 | H9 | 120.0° | 120.0° |
| H10 | C4 | C3 | H31 | 175.9° | 60.1° |
| H10 | C4 | C3 | H32 | 57.4° | 179.9° |
| H10 | C4 | C5 | H33 | 135.1° | 180.0° |
| H10 | C4 | C5 | H34 | 106.2° | 60.0° |
| H11 | C4 | C3 | H31 | 65.4° | 180.0° |
| H11 | C4 | C3 | H32 | 176.0° | 60.1° |
| H11 | C4 | C5 | H33 | 16.4° | 60.0° |
| H11 | C4 | C5 | H34 | 135.2° | 179.9° |
| H12 | C7 | C6 | H14 | 14.0° | 60.0° |
| H12 | C7 | C6 | H15 | 132.5° | 180.0° |
| H12 | C7 | C8 | H22 | 168.3° | 179.9° |
| H12 | C7 | C8 | H23 | 73.0° | 60.0° |
| H13 | C7 | C6 | H14 | 132.7° | 180.0° |
| H13 | C7 | C6 | H15 | 108.8° | 60.0° |
| H13 | C7 | C8 | H22 | 49.6° | 60.0° |
| H13 | C7 | C8 | H23 | 168.2° | 180.0° |
| H14 | C6 | C5 | H33 | 162.2° | 60.0° |
| H14 | C6 | C5 | H34 | 43.4° | 180.0° |
| H15 | C6 | C5 | H33 | 79.4° | 180.0° |
| H15 | C6 | C5 | H34 | 161.9° | 60.1° |
| H16 | C9 | C8 | H22 | 1.8° | 180.0° |
| H16 | C9 | C8 | H23 | 116.9° | 60.0° |
| H16 | C9 | C10 | H35 | 177.0° | 180.0° |
| H16 | C9 | C10 | H36 | 58.3° | 60.0° |
| H17 | C9 | C8 | H22 | 116.9° | 60.0° |
| H17 | C9 | C8 | H23 | 124.4° | 180.0° |
| H17 | C9 | C10 | H35 | 64.4° | 60.0° |
| H17 | C9 | C10 | H36 | 177.0° | 180.0° |
| H18 | C13 | C12 | H39 | 176.6° | 60.1° |
| H18 | C13 | C12 | H40 | 57.9° | 180.0° |
| H18 | C13 | C14 | H41 | 169.5° | 179.9° |
| H18 | C13 | C14 | H42 | 51.1° | 60.1° |
| H19 | C13 | C12 | H39 | 64.3° | 180.0° |
| H19 | C13 | C12 | H40 | 177.0° | 60.0° |
| H19 | C13 | C14 | H41 | 71.4° | 60.0° |
| H19 | C13 | C14 | H42 | 170.2° | 180.0° |
| H20 | C20 | C19 | H24 | 171.9° | 60.1° |
| H20 | C20 | C19 | H25 | 52.9° | 180.0° |
| H20 | C20 | N21 | H45 | 112.9° | 119.9° |
| H21 | C20 | C19 | H24 | 69.0° | 179.9° |
| H21 | C20 | C19 | H25 | 172.0° | 60.0° |
| H21 | C20 | N21 | H45 | 6.2° | 120.0° |
| H26 | C1 | H27 | H28 | 120.0° | 120.0° |
| H26 | C1 | C2 | H29 | 59.4° | 60.0° |
| H26 | C1 | C2 | H30 | 59.4° | 180.0° |
| H27 | C1 | C2 | H29 | 179.4° | 180.0° |
| H27 | C1 | C2 | H30 | 60.6° | 60.1° |
| H28 | C1 | C2 | H29 | 60.6° | 60.0° |
| H28 | C1 | C2 | H30 | 179.4° | 60.0° |
| H29 | C2 | C3 | H31 | 176.5° | 60.0° |
| H29 | C2 | C3 | H32 | 65.0° | 180.0° |
| H30 | C2 | C3 | H31 | 57.6° | 180.0° |
| H30 | C2 | C3 | H32 | 176.2° | 60.0° |
| H35 | C10 | C11 | H37 | 136.9° | 180.0° |
| H35 | C10 | C11 | H38 | 104.3° | 59.9° |
| H36 | C10 | C11 | H37 | 18.3° | 59.9° |
| H36 | C10 | C11 | H38 | 137.1° | NaN° |
| H37 | C11 | C12 | H39 | 176.5° | 60.1° |
| H37 | C11 | C12 | H40 | 57.8° | 179.9° |
| H38 | C11 | C12 | H39 | 64.7° | 179.9° |
| H38 | C11 | C12 | H40 | 176.6° | 60.1° |
| H46 | C24 | C25 | H48 | 68.2° | 180.0° |
| H46 | C24 | C25 | H49 | 50.8° | 60.0° |
| H47 | C24 | C25 | H48 | 50.7° | 60.0° |
| H47 | C24 | C25 | H49 | 169.8° | 180.0° |
| H48 | C25 | N26 | H50 | 98.7° | 120.0° |
| H49 | C25 | N26 | H50 | 142.2° | 120.0° |
| H51 | C29 | O70 | H66 | 65.0° | 179.9° |
| H54 | C44 | C45 | H56 | 39.9° | 174.0° |
| H55 | C44 | C45 | H56 | 79.7° | 66.0° |
| H57 | C49 | C51 | H58 | 94.7° | 160.3° |
| H57 | C49 | O64 | H63 | 55.6° | 56.4° |
