IEP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C63 | C64 | doub | 1.31Å | 1.53Å | |
| C63 | C62 | sing | 1.51Å | 1.53Å | |
| C62 | C61 | sing | 1.51Å | 1.53Å | |
| C61 | C60 | doub | 1.31Å | 1.52Å | |
| C60 | C59 | sing | 1.51Å | 1.52Å | |
| C59 | C58 | sing | 1.51Å | 1.51Å | |
| C58 | C57 | doub | 1.31Å | 1.50Å | |
| O40 | P37 | doub | 1.48Å | 1.47Å | |
| O39 | P37 | sing | 1.61Å | 1.55Å | |
| C57 | C56 | sing | 1.51Å | 1.51Å | |
| O45 | P42 | doub | 1.48Å | 1.47Å | |
| O38 | P37 | sing | 1.61Å | 1.48Å | |
| P37 | O36 | sing | 1.61Å | 1.55Å | |
| C56 | C55 | sing | 1.51Å | 1.51Å | |
| P42 | O41 | sing | 1.61Å | 1.55Å | |
| P42 | O44 | sing | 1.61Å | 1.53Å | |
| P42 | O43 | sing | 1.61Å | 1.47Å | |
| C54 | C55 | doub | 1.31Å | 1.51Å | |
| C54 | C53 | sing | 1.51Å | 1.53Å | |
| O41 | C32 | sing | 1.43Å | 1.39Å | |
| O36 | C33 | sing | 1.43Å | 1.29Å | |
| C52 | C51 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C51 | C49 | sing | 1.51Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.46Å | |
| C32 | C31 | sing | 1.53Å | 1.50Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| O35 | C34 | sing | 1.43Å | 1.38Å | |
| C49 | O50 | doub | 1.21Å | 1.38Å | |
| C49 | O48 | sing | 1.34Å | 1.38Å | |
| O46 | C31 | sing | 1.43Å | 1.38Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C34 | C29 | sing | 1.53Å | 1.51Å | |
| O48 | C22 | sing | 1.45Å | 1.49Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| O19 | C18 | doub | 1.21Å | 1.37Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C18 | O20 | sing | 1.34Å | 1.40Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C30 | O47 | sing | 1.43Å | 1.38Å | |
| C29 | O28 | sing | 1.43Å | 1.41Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.60Å | |
| C22 | C23 | sing | 1.53Å | 1.61Å | |
| C21 | O20 | sing | 1.45Å | 1.38Å | |
| O28 | P25 | sing | 1.61Å | 1.59Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C23 | O24 | sing | 1.43Å | 1.38Å | |
| P25 | O24 | sing | 1.61Å | 1.56Å | |
| P25 | O26 | doub | 1.48Å | 1.49Å | |
| P25 | O27 | sing | 1.61Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C51 | H39 | sing | 1.09Å | 1.10Å | |
| C51 | H40 | sing | 1.09Å | 1.10Å | |
| C52 | H41 | sing | 1.09Å | 1.10Å | |
| C52 | H42 | sing | 1.09Å | 1.10Å | |
| C53 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | H44 | sing | 1.09Å | 1.10Å | |
| C54 | H46 | sing | 1.08Å | 1.08Å | |
| C55 | H47 | sing | 1.08Å | 1.08Å | |
| C56 | H49 | sing | 1.09Å | 1.10Å | |
| C56 | H50 | sing | 1.09Å | 1.10Å | |
| C57 | H51 | sing | 1.08Å | 1.08Å | |
| C58 | H53 | sing | 1.08Å | 1.08Å | |
| C59 | H55 | sing | 1.09Å | 1.10Å | |
| C59 | H56 | sing | 1.09Å | 1.10Å | |
| C60 | H57 | sing | 1.08Å | 1.08Å | |
| C61 | H59 | sing | 1.08Å | 1.08Å | |
| C62 | H60 | sing | 1.09Å | 1.10Å | |
| C63 | H61 | sing | 1.08Å | 1.08Å | |
| C64 | H63 | sing | 1.08Å | 1.08Å | |
| O27 | H67 | sing | 0.97Å | 0.95Å | |
| O35 | H68 | sing | 0.97Å | 0.95Å | |
| O38 | H69 | sing | 0.97Å | 0.95Å | |
| O39 | H70 | sing | 0.97Å | 0.95Å | |
| O43 | H71 | sing | 0.97Å | 0.95Å | |
| O44 | H72 | sing | 0.97Å | 0.95Å | |
| O46 | H73 | sing | 0.97Å | 0.95Å | |
| O47 | H74 | sing | 0.97Å | 0.95Å | |
| C64 | C1 | sing | 1.51Å | 83.25Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C1 | H85 | sing | 1.09Å | 0.00Å | |
| C1 | H86 | sing | 1.09Å | 0.00Å | |
| C2 | H84 | sing | 1.09Å | 0.00Å | |
| C2 | H83 | sing | 1.09Å | 0.00Å | |
| C3 | H82 | sing | 1.09Å | 0.00Å | |
| C3 | H81 | sing | 1.09Å | 0.00Å | |
| C4 | H80 | sing | 1.09Å | 0.00Å | |
| C4 | H79 | sing | 1.09Å | 0.00Å | |
| C5 | H78 | sing | 1.09Å | 0.00Å | |
| C5 | H76 | sing | 1.09Å | 0.00Å | |
| C5 | H77 | sing | 1.09Å | 0.00Å | |
| C62 | H38 | sing | 1.09Å | 1.10Å | |
| C07 | H54 | sing | 1.09Å | 1.10Å | |
| C09 | H58 | sing | 1.09Å | 1.10Å | |
| C11 | H65 | sing | 1.09Å | 1.10Å | |
| C12 | H75 | sing | 1.09Å | 1.10Å | |
| C13 | H87 | sing | 1.09Å | 1.10Å | |
| C06 | H52 | sing | 1.09Å | 1.10Å | |
| C08 | H62 | sing | 1.09Å | 1.10Å | |
| C10 | H64 | sing | 1.09Å | 1.10Å | |
| C16 | H88 | sing | 1.09Å | 1.10Å | |
| C17 | H89 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C64 | C63 | C62 | 116.1° | 120.0° |
| C64 | C63 | H61 | 121.9° | 120.0° |
| C63 | C64 | H63 | 166.9° | 120.0° |
| C63 | C64 | C1 | 26.3° | 120.0° |
| C63 | C62 | C61 | 117.4° | 109.5° |
| C63 | C62 | H60 | 107.5° | 109.5° |
| C62 | C63 | H61 | 121.9° | 120.1° |
| C63 | C62 | H38 | 107.4° | 109.4° |
| C62 | C61 | C60 | 116.7° | 120.0° |
| C62 | C61 | H59 | 121.6° | 120.0° |
| C61 | C62 | H60 | 107.5° | 109.5° |
| C61 | C62 | H38 | 107.5° | 109.5° |
| C61 | C60 | C59 | 118.6° | 120.0° |
| C61 | C60 | H57 | 120.7° | 120.0° |
| C60 | C61 | H59 | 121.6° | 120.0° |
| C60 | C59 | C58 | 117.1° | 109.5° |
| C60 | C59 | H55 | 107.5° | 109.5° |
| C60 | C59 | H56 | 107.5° | 109.5° |
| C59 | C60 | H57 | 120.7° | 120.0° |
| C59 | C58 | C57 | 118.4° | 120.0° |
| C59 | C58 | H53 | 120.8° | 120.0° |
| C58 | C59 | H55 | 107.5° | 109.5° |
| C58 | C59 | H56 | 107.5° | 109.5° |
| C58 | C57 | C56 | 118.3° | 120.0° |
| C58 | C57 | H51 | 120.9° | 120.0° |
| C57 | C58 | H53 | 120.8° | 120.1° |
| O40 | P37 | O39 | 111.5° | 109.5° |
| O40 | P37 | O38 | 99.4° | 109.5° |
| O40 | P37 | O36 | 106.9° | 109.5° |
| O39 | P37 | O38 | 112.9° | 109.5° |
| O39 | P37 | O36 | 113.1° | 109.5° |
| P37 | O39 | H70 | 109.5° | 114.0° |
| C57 | C56 | C55 | 118.8° | 109.5° |
| C57 | C56 | H49 | 107.1° | 109.5° |
| C57 | C56 | H50 | 107.1° | 109.5° |
| C56 | C57 | H51 | 120.9° | 120.0° |
| O45 | P42 | O41 | 109.6° | 109.5° |
| O45 | P42 | O44 | 111.7° | 109.4° |
| O45 | P42 | O43 | 101.9° | 109.5° |
| O38 | P37 | O36 | 112.0° | 109.4° |
| P37 | O38 | H69 | 109.5° | 114.0° |
| P37 | O36 | C33 | 135.8° | 123.0° |
| C56 | C55 | C54 | 117.4° | 120.0° |
| C56 | C55 | H47 | 121.3° | 120.0° |
| C55 | C56 | H49 | 107.1° | 109.5° |
| C55 | C56 | H50 | 107.1° | 109.5° |
| O41 | P42 | O44 | 107.5° | 109.4° |
| O41 | P42 | O43 | 113.4° | 109.5° |
| P42 | O41 | C32 | 125.8° | 123.0° |
| O44 | P42 | O43 | 112.8° | 109.5° |
| P42 | O44 | H72 | 109.5° | 114.1° |
| P42 | O43 | H71 | 109.5° | 114.1° |
| C55 | C54 | C53 | 116.6° | 120.0° |
| C55 | C54 | H46 | 121.7° | 120.0° |
| C54 | C55 | H47 | 121.3° | 120.0° |
| C54 | C53 | C52 | 120.0° | 109.5° |
| C54 | C53 | H43 | 106.8° | 109.5° |
| C54 | C53 | H44 | 106.8° | 109.4° |
| C53 | C54 | H46 | 121.7° | 120.0° |
| O41 | C32 | C33 | 124.7° | 109.4° |
| O41 | C32 | C31 | 118.7° | 109.5° |
| O41 | C32 | H35 | 100.8° | 109.5° |
| O36 | C33 | C32 | 117.2° | 109.5° |
| O36 | C33 | C34 | 115.5° | 109.5° |
| O36 | C33 | H36 | 100.6° | 109.5° |
| C51 | C52 | C53 | 119.1° | 109.4° |
| C52 | C51 | C49 | 117.9° | 109.5° |
| C52 | C51 | H39 | 107.3° | 109.5° |
| C52 | C51 | H40 | 107.3° | 109.5° |
| C51 | C52 | H41 | 107.0° | 109.5° |
| C51 | C52 | H42 | 107.0° | 109.5° |
| C53 | C52 | H41 | 107.0° | 109.5° |
| C53 | C52 | H42 | 107.0° | 109.5° |
| C52 | C53 | H43 | 106.8° | 109.5° |
| C52 | C53 | H44 | 106.8° | 109.5° |
| C51 | C49 | O50 | 112.5° | 120.0° |
| C51 | C49 | O48 | 115.6° | 120.1° |
| C49 | C51 | H39 | 107.3° | 109.4° |
| C49 | C51 | H40 | 107.3° | 109.4° |
| C33 | C32 | C31 | 106.9° | 109.5° |
| C32 | C33 | C34 | 119.0° | 109.4° |
| C33 | C32 | H35 | 100.3° | 109.5° |
| C32 | C33 | H36 | 99.3° | 109.5° |
| C32 | C31 | O46 | 106.4° | 109.5° |
| C32 | C31 | C30 | 110.9° | 109.5° |
| C32 | C31 | H34 | 109.6° | 109.4° |
| C31 | C32 | H35 | 100.0° | 109.5° |
| C33 | C34 | O35 | 108.4° | 109.5° |
| C33 | C34 | C29 | 116.2° | 109.5° |
| C34 | C33 | H36 | 99.1° | 109.5° |
| C33 | C34 | H37 | 105.8° | 109.4° |
| O35 | C34 | C29 | 113.0° | 109.5° |
| O35 | C34 | H37 | 107.1° | 109.5° |
| C34 | O35 | H68 | 109.5° | 114.0° |
| O50 | C49 | O48 | 105.0° | 119.9° |
| C49 | O48 | C22 | 112.8° | 117.0° |
| O46 | C31 | C30 | 109.5° | 109.5° |
| O46 | C31 | H34 | 111.3° | 109.4° |
| C31 | O46 | H73 | 109.5° | 114.0° |
| C31 | C30 | C29 | 119.1° | 109.5° |
| C31 | C30 | O47 | 113.5° | 109.5° |
| C31 | C30 | H33 | 104.1° | 109.5° |
| C30 | C31 | H34 | 109.2° | 109.4° |
| C34 | C29 | C30 | 115.6° | 109.4° |
| C34 | C29 | O28 | 107.9° | 109.5° |
| C34 | C29 | H32 | 106.7° | 109.5° |
| C29 | C34 | H37 | 105.6° | 109.4° |
| O48 | C22 | C21 | 107.7° | 109.4° |
| O48 | C22 | C23 | 119.3° | 109.5° |
| O48 | C22 | H29 | 103.2° | 109.4° |
| C15 | C16 | C17 | 122.4° | 109.5° |
| C16 | C15 | C14 | 121.8° | 109.5° |
| C16 | C15 | H22 | 106.3° | 109.5° |
| C16 | C15 | H23 | 106.3° | 109.5° |
| C15 | C16 | H24 | 106.1° | 109.5° |
| C15 | C16 | H88 | 106.1° | 109.5° |
| C16 | C17 | C18 | 119.1° | 109.5° |
| C17 | C16 | H24 | 106.1° | 109.4° |
| C16 | C17 | H25 | 107.0° | 109.4° |
| C17 | C16 | H88 | 106.1° | 109.5° |
| C16 | C17 | H89 | 107.0° | 109.5° |
| O19 | C18 | C17 | 109.0° | 120.0° |
| O19 | C18 | O20 | 108.3° | 120.0° |
| C15 | C14 | C13 | 121.1° | 109.5° |
| C15 | C14 | H20 | 106.5° | 109.4° |
| C15 | C14 | H21 | 106.5° | 109.5° |
| C14 | C15 | H22 | 106.3° | 109.4° |
| C14 | C15 | H23 | 106.3° | 109.4° |
| C17 | C18 | O20 | 115.8° | 120.0° |
| C18 | C17 | H25 | 107.0° | 109.5° |
| C18 | C17 | H89 | 107.0° | 109.5° |
| C18 | O20 | C21 | 124.4° | 117.0° |
| C29 | C30 | O47 | 108.7° | 109.5° |
| C30 | C29 | O28 | 111.5° | 109.5° |
| C30 | C29 | H32 | 106.7° | 109.5° |
| C29 | C30 | H33 | 104.3° | 109.5° |
| O47 | C30 | H33 | 105.7° | 109.5° |
| C30 | O47 | H74 | 109.5° | 114.0° |
| C29 | O28 | P25 | 126.2° | 123.0° |
| O28 | C29 | H32 | 108.0° | 109.5° |
| C14 | C13 | C12 | 120.0° | 109.5° |
| C14 | C13 | H19 | 106.8° | 109.4° |
| C13 | C14 | H20 | 106.5° | 109.5° |
| C13 | C14 | H21 | 106.5° | 109.5° |
| C14 | C13 | H87 | 106.8° | 109.5° |
| C21 | C22 | C23 | 119.1° | 109.5° |
| C22 | C21 | O20 | 112.7° | 109.5° |
| C22 | C21 | H27 | 108.7° | 109.4° |
| C22 | C21 | H28 | 108.6° | 109.5° |
| C21 | C22 | H29 | 102.3° | 109.5° |
| C22 | C23 | O24 | 111.5° | 109.5° |
| C23 | C22 | H29 | 102.3° | 109.5° |
| C22 | C23 | H30 | 108.9° | 109.5° |
| C22 | C23 | H31 | 109.0° | 109.5° |
| O20 | C21 | H27 | 108.7° | 109.5° |
| O20 | C21 | H28 | 108.7° | 109.5° |
| O28 | P25 | O24 | 118.4° | 109.4° |
| O28 | P25 | O26 | 109.4° | 109.4° |
| O28 | P25 | O27 | 112.5° | 109.5° |
| C13 | C12 | C11 | 117.8° | 109.5° |
| C13 | C12 | H18 | 107.4° | 109.5° |
| C12 | C13 | H19 | 106.8° | 109.5° |
| C13 | C12 | H75 | 107.4° | 109.5° |
| C12 | C13 | H87 | 106.8° | 109.5° |
| C23 | O24 | P25 | 118.1° | 123.0° |
| O24 | C23 | H30 | 109.0° | 109.5° |
| O24 | C23 | H31 | 109.0° | 109.5° |
| O24 | P25 | O26 | 105.3° | 109.5° |
| O24 | P25 | O27 | 112.1° | 109.5° |
| O26 | P25 | O27 | 96.5° | 109.5° |
| P25 | O27 | H67 | 109.5° | 114.0° |
| C12 | C11 | C10 | 118.8° | 109.5° |
| C12 | C11 | H17 | 107.1° | 109.5° |
| C11 | C12 | H18 | 107.4° | 109.5° |
| C12 | C11 | H65 | 107.1° | 109.5° |
| C11 | C12 | H75 | 107.4° | 109.5° |
| C11 | C10 | C09 | 118.6° | 109.5° |
| C11 | C10 | H16 | 107.1° | 109.4° |
| C10 | C11 | H17 | 107.1° | 109.4° |
| C10 | C11 | H65 | 107.1° | 109.4° |
| C11 | C10 | H64 | 107.1° | 109.5° |
| C10 | C09 | C08 | 116.3° | 109.5° |
| C10 | C09 | H15 | 107.8° | 109.5° |
| C09 | C10 | H16 | 107.1° | 109.5° |
| C10 | C09 | H58 | 107.7° | 109.5° |
| C09 | C10 | H64 | 107.1° | 109.5° |
| C09 | C08 | C07 | 117.4° | 109.5° |
| C09 | C08 | H14 | 107.5° | 109.5° |
| C08 | C09 | H15 | 107.7° | 109.5° |
| C08 | C09 | H58 | 107.7° | 109.5° |
| C09 | C08 | H62 | 107.5° | 109.5° |
| C08 | C07 | C06 | 118.4° | 109.4° |
| C08 | C07 | H13 | 107.2° | 109.5° |
| C07 | C08 | H14 | 107.4° | 109.4° |
| C08 | C07 | H54 | 107.2° | 109.5° |
| C07 | C08 | H62 | 107.4° | 109.5° |
| C07 | C06 | C05 | 117.6° | 109.4° |
| C07 | C06 | H12 | 107.4° | 109.5° |
| C06 | C07 | H13 | 107.2° | 109.5° |
| C06 | C07 | H54 | 107.2° | 109.5° |
| C07 | C06 | H52 | 107.4° | 109.5° |
| C06 | C05 | C04 | 121.2° | 109.5° |
| C06 | C05 | H10 | 106.5° | 109.4° |
| C06 | C05 | H11 | 106.5° | 109.5° |
| C05 | C06 | H12 | 107.4° | 109.4° |
| C05 | C06 | H52 | 107.4° | 109.4° |
| C01 | C02 | C03 | 120.8° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 106.6° | 109.4° |
| C01 | C02 | H5 | 106.6° | 109.4° |
| C02 | C03 | C04 | 117.2° | 109.5° |
| C03 | C02 | H4 | 106.6° | 109.5° |
| C03 | C02 | H5 | 106.6° | 109.5° |
| C02 | C03 | H6 | 107.5° | 109.4° |
| C02 | C03 | H7 | 107.5° | 109.4° |
| C05 | C04 | C03 | 118.7° | 109.5° |
| C05 | C04 | H8 | 107.1° | 109.5° |
| C05 | C04 | H9 | 107.1° | 109.5° |
| C04 | C05 | H10 | 106.5° | 109.5° |
| C04 | C05 | H11 | 106.4° | 109.5° |
| C04 | C03 | H6 | 107.5° | 109.5° |
| C04 | C03 | H7 | 107.5° | 109.5° |
| C03 | C04 | H8 | 107.1° | 109.5° |
| C03 | C04 | H9 | 107.1° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H52 | 109.5° | 109.5° |
| H13 | C07 | H54 | 109.5° | 109.5° |
| H14 | C08 | H62 | 109.5° | 109.5° |
| H15 | C09 | H58 | 109.5° | 109.4° |
| H16 | C10 | H64 | 109.5° | 109.4° |
| H17 | C11 | H65 | 109.5° | 109.5° |
| H18 | C12 | H75 | 109.4° | 109.4° |
| H19 | C13 | H87 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C16 | H88 | 109.5° | 109.5° |
| H25 | C17 | H89 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.4° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H39 | C51 | H40 | 109.4° | 109.5° |
| H41 | C52 | H42 | 109.5° | 109.5° |
| H43 | C53 | H44 | 109.5° | 109.5° |
| H49 | C56 | H50 | 109.5° | 109.5° |
| H55 | C59 | H56 | 109.5° | 109.5° |
| H60 | C62 | H38 | 109.5° | 109.5° |
| H63 | C64 | C1 | 166.8° | 120.0° |
| C64 | C1 | C2 | 90.0° | 109.5° |
| C64 | C1 | H85 | 90.0° | 109.5° |
| C64 | C1 | H86 | 90.0° | 109.5° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | H85 | 90.0° | 109.5° |
| C2 | C1 | H86 | 90.0° | 109.5° |
| C1 | C2 | H84 | 90.0° | 109.5° |
| C1 | C2 | H83 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C3 | C2 | H84 | 90.0° | 109.5° |
| C3 | C2 | H83 | 90.0° | 109.5° |
| C2 | C3 | H82 | 90.0° | 109.5° |
| C2 | C3 | H81 | 90.0° | 109.5° |
| C3 | C4 | C5 | 90.0° | 109.5° |
| C4 | C3 | H82 | 90.0° | 109.5° |
| C4 | C3 | H81 | 90.0° | 109.4° |
| C3 | C4 | H80 | 90.0° | 109.5° |
| C3 | C4 | H79 | 90.0° | 109.5° |
| C5 | C4 | H80 | 90.0° | 109.5° |
| C5 | C4 | H79 | 90.0° | 109.5° |
| C4 | C5 | H78 | 90.0° | 109.4° |
| C4 | C5 | H76 | 90.0° | 109.5° |
| C4 | C5 | H77 | 90.0° | 109.5° |
| H85 | C1 | H86 | 90.0° | 109.4° |
| H84 | C2 | H83 | 90.0° | 109.4° |
| H82 | C3 | H81 | 90.0° | 109.4° |
| H80 | C4 | H79 | 90.0° | 109.4° |
| H78 | C5 | H76 | 90.0° | 109.5° |
| H78 | C5 | H77 | 90.0° | 109.5° |
| H76 | C5 | H77 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C64 | C63 | C62 | H61 | 180.0° | 180.0° |
| C64 | C63 | C62 | C61 | 176.1° | 124.0° |
| C64 | C63 | C62 | H60 | 62.7° | 3.9° |
| C63 | C64 | H63 | C1 | 180.0° | 180.0° |
| C63 | C64 | C1 | C2 | 90.0° | 124.0° |
| C63 | C64 | C1 | H85 | 90.0° | 116.1° |
| C63 | C64 | C1 | H86 | 90.0° | 3.9° |
| C64 | C63 | C62 | H38 | 54.9° | 116.0° |
| C63 | C62 | C61 | H60 | 121.2° | 120.0° |
| C63 | C62 | C61 | H38 | 121.1° | 119.9° |
| C63 | C62 | C61 | C60 | 170.9° | 125.0° |
| C63 | C62 | C61 | H59 | 9.1° | 55.1° |
| C63 | C62 | H60 | H38 | 116.4° | 120.0° |
| C62 | C63 | C64 | H63 | 139.8° | 171.4° |
| C62 | C63 | C64 | C1 | 40.2° | 8.6° |
| C62 | C61 | C60 | H59 | 180.0° | 179.9° |
| C62 | C61 | C60 | C59 | 125.3° | 180.0° |
| C62 | C61 | C60 | H57 | 54.7° | 0.1° |
| C61 | C62 | H60 | H38 | 116.4° | 120.0° |
| C61 | C62 | C63 | H61 | 3.9° | 56.0° |
| C61 | C60 | C59 | H57 | 180.0° | 179.9° |
| C61 | C60 | C59 | C58 | 125.0° | 125.0° |
| C61 | C60 | C59 | H55 | 113.9° | 5.0° |
| C61 | C60 | C59 | H56 | 3.9° | 115.0° |
| C60 | C61 | C62 | H60 | 67.9° | 115.0° |
| C60 | C61 | C62 | H38 | 49.8° | 5.0° |
| C60 | C59 | C58 | H55 | 121.1° | 120.0° |
| C60 | C59 | C58 | H56 | 121.1° | 120.0° |
| C60 | C59 | C58 | C57 | 34.3° | 125.0° |
| C60 | C59 | C58 | H53 | 145.7° | 55.0° |
| C60 | C59 | H55 | H56 | 116.5° | 120.0° |
| C59 | C60 | C61 | H59 | 54.7° | 0.1° |
| C59 | C58 | C57 | H53 | 180.0° | 180.0° |
| C59 | C58 | C57 | C56 | 147.9° | 180.0° |
| C59 | C58 | C57 | H51 | 32.1° | 0.0° |
| C58 | C59 | H55 | H56 | 116.6° | 120.0° |
| C58 | C59 | C60 | H57 | 55.0° | 55.0° |
| C58 | C57 | C56 | H51 | 180.0° | 180.0° |
| C58 | C57 | C56 | C55 | 140.3° | 125.0° |
| C58 | C57 | C56 | H49 | 19.0° | 5.0° |
| C58 | C57 | C56 | H50 | 98.3° | 115.0° |
| C57 | C58 | C59 | H55 | 86.8° | 115.0° |
| C57 | C58 | C59 | H56 | 155.4° | 5.0° |
| O40 | P37 | O39 | O38 | 110.9° | 120.0° |
| O40 | P37 | O39 | O36 | 120.5° | 120.0° |
| O40 | P37 | O38 | O36 | 112.7° | 120.0° |
| O40 | P37 | O36 | C33 | 175.2° | 51.1° |
| O40 | P37 | O38 | H69 | 0.0° | 180.0° |
| O40 | P37 | O39 | H70 | 0.0° | 60.1° |
| O39 | P37 | O38 | O36 | 129.1° | 120.0° |
| O39 | P37 | O36 | C33 | 61.8° | 171.0° |
| O39 | P37 | O38 | H69 | 118.2° | 60.0° |
| C57 | C56 | C55 | H49 | 121.3° | 120.0° |
| C57 | C56 | C55 | H50 | 121.3° | 120.0° |
| C57 | C56 | C55 | C54 | 69.8° | 125.0° |
| C57 | C56 | C55 | H47 | 110.2° | 55.0° |
| C57 | C56 | H49 | H50 | 115.8° | 120.0° |
| C56 | C57 | C58 | H53 | 32.1° | 0.0° |
| O45 | P42 | O41 | O44 | 121.6° | 120.0° |
| O45 | P42 | O41 | O43 | 113.1° | 120.0° |
| O45 | P42 | O44 | O43 | 114.1° | 120.0° |
| O45 | P42 | O41 | C32 | 159.3° | 55.0° |
| O45 | P42 | O43 | H71 | 0.0° | 180.0° |
| O45 | P42 | O44 | H72 | 0.0° | 60.0° |
| O38 | P37 | O36 | C33 | 67.2° | 68.9° |
| O38 | P37 | O39 | H70 | 110.9° | 60.0° |
| P37 | O36 | C33 | C32 | 7.9° | 119.2° |
| P37 | O36 | C33 | C34 | 140.3° | 120.8° |
| P37 | O36 | C33 | H36 | 114.2° | 0.8° |
| O36 | P37 | O38 | H69 | 112.7° | 60.0° |
| O36 | P37 | O39 | H70 | 120.5° | 180.0° |
| C56 | C55 | C54 | H47 | 180.0° | 180.0° |
| C56 | C55 | C54 | C53 | 148.7° | 180.0° |
| C56 | C55 | C54 | H46 | 31.3° | 0.0° |
| C55 | C56 | H49 | H50 | 115.8° | 120.0° |
| C55 | C56 | C57 | H51 | 39.7° | 55.0° |
| O41 | P42 | O44 | O43 | 125.7° | 120.0° |
| P42 | O41 | C32 | C33 | 110.6° | 120.0° |
| P42 | O41 | C32 | C31 | 30.8° | 120.0° |
| P42 | O41 | C32 | H35 | 138.7° | 0.0° |
| O41 | P42 | O43 | H71 | 117.7° | 59.9° |
| O41 | P42 | O44 | H72 | 120.2° | 180.0° |
| O44 | P42 | O41 | C32 | 37.7° | 175.0° |
| O44 | P42 | O43 | H71 | 119.9° | 60.0° |
| O43 | P42 | O41 | C32 | 87.6° | 65.1° |
| O43 | P42 | O44 | H72 | 114.1° | 60.0° |
| C55 | C54 | C53 | H46 | 180.0° | 179.9° |
| C55 | C54 | C53 | C52 | 144.8° | 125.0° |
| C55 | C54 | C53 | H43 | 93.8° | 4.9° |
| C55 | C54 | C53 | H44 | 23.3° | 115.0° |
| C54 | C55 | C56 | H49 | 51.5° | 115.0° |
| C54 | C55 | C56 | H50 | 168.9° | 5.0° |
| C54 | C53 | C52 | C51 | 104.5° | 180.0° |
| C54 | C53 | C52 | H43 | 121.5° | 120.1° |
| C54 | C53 | C52 | H44 | 121.5° | 119.9° |
| C54 | C53 | C52 | H41 | 134.2° | 60.0° |
| C54 | C53 | C52 | H42 | 16.9° | 60.0° |
| C54 | C53 | H43 | H44 | 115.2° | 119.9° |
| C53 | C54 | C55 | H47 | 31.3° | 0.1° |
| O41 | C32 | C33 | O36 | 10.3° | 60.0° |
| O41 | C32 | C33 | C31 | 145.2° | 120.0° |
| O41 | C32 | C33 | H35 | 111.0° | 120.0° |
| O41 | C32 | C31 | H35 | 108.3° | 120.0° |
| O41 | C32 | C33 | C34 | 157.5° | 180.0° |
| O41 | C32 | C31 | O46 | 88.1° | 59.9° |
| O41 | C32 | C31 | C30 | 152.9° | 180.0° |
| O41 | C32 | C31 | H34 | 32.3° | 60.0° |
| O41 | C32 | C33 | H36 | 96.7° | 60.0° |
| O36 | C33 | C32 | C34 | 147.1° | 119.9° |
| O36 | C33 | C32 | H36 | 107.0° | 120.1° |
| O36 | C33 | C32 | C31 | 155.5° | 180.0° |
| O36 | C33 | C34 | H36 | 106.4° | 120.0° |
| O36 | C33 | C34 | O35 | 53.2° | 59.9° |
| O36 | C33 | C34 | C29 | 178.2° | 180.0° |
| O36 | C33 | C32 | H35 | 100.6° | 59.9° |
| O36 | C33 | C34 | H37 | 61.4° | 60.1° |
| C51 | C52 | C53 | H41 | 121.4° | 119.9° |
| C51 | C52 | C53 | H42 | 121.3° | 120.0° |
| C52 | C51 | C49 | H39 | 121.2° | 120.0° |
| C52 | C51 | C49 | H40 | 121.2° | 120.0° |
| C52 | C51 | C49 | O50 | 165.0° | 0.0° |
| C52 | C51 | C49 | O48 | 44.5° | 180.0° |
| C52 | C51 | H39 | H40 | 116.2° | 120.1° |
| C51 | C52 | H41 | H42 | 115.6° | 120.1° |
| C51 | C52 | C53 | H43 | 134.1° | 60.0° |
| C51 | C52 | C53 | H44 | 17.0° | 60.0° |
| C53 | C52 | C51 | C49 | 59.3° | 180.0° |
| C53 | C52 | C51 | H39 | 62.0° | 60.1° |
| C53 | C52 | C51 | H40 | 179.5° | 60.0° |
| C53 | C52 | H41 | H42 | 115.6° | 120.0° |
| C52 | C53 | H43 | H44 | 115.3° | 120.0° |
| C52 | C53 | C54 | H46 | 35.2° | 55.0° |
| C51 | C49 | O50 | O48 | 126.5° | 180.0° |
| C51 | C49 | O48 | C22 | 156.8° | 180.0° |
| C49 | C51 | H39 | H40 | 116.2° | 119.9° |
| C49 | C51 | C52 | H41 | 62.1° | 60.1° |
| C49 | C51 | C52 | H42 | 179.4° | 60.0° |
| C33 | C32 | C31 | H35 | 104.1° | 120.0° |
| C32 | C33 | C34 | H36 | 106.0° | 120.0° |
| C32 | C33 | C34 | O35 | 94.5° | 60.0° |
| C33 | C32 | C31 | O46 | 59.5° | 60.0° |
| C33 | C32 | C31 | C30 | 59.5° | 60.1° |
| C32 | C33 | C34 | C29 | 34.1° | 60.0° |
| C33 | C32 | C31 | H34 | 180.0° | 180.0° |
| C32 | C33 | C34 | H37 | 150.9° | 180.0° |
| C31 | C32 | C33 | C34 | 57.4° | 60.0° |
| C32 | C31 | O46 | C30 | 119.9° | 120.1° |
| C32 | C31 | O46 | H34 | 119.3° | 120.0° |
| C32 | C31 | C30 | H34 | 120.8° | 120.0° |
| C32 | C31 | C30 | C29 | 44.3° | 60.1° |
| C32 | C31 | C30 | O47 | 174.2° | 180.0° |
| C32 | C31 | C30 | H33 | 71.4° | 60.0° |
| C31 | C32 | C33 | H36 | 48.5° | 60.0° |
| C32 | C31 | O46 | H73 | 180.0° | 180.0° |
| C33 | C34 | O35 | C29 | 130.4° | 120.1° |
| C33 | C34 | O35 | H37 | 113.7° | 120.0° |
| C33 | C34 | C29 | H37 | 116.9° | 120.0° |
| C33 | C34 | C29 | C30 | 13.1° | 60.1° |
| C33 | C34 | C29 | O28 | 112.5° | 59.9° |
| C33 | C34 | C29 | H32 | 131.6° | 180.0° |
| C34 | C33 | C32 | H35 | 46.5° | 60.0° |
| C33 | C34 | O35 | H68 | 180.0° | 179.9° |
| O35 | C34 | C29 | H37 | 116.8° | 120.0° |
| O35 | C34 | C29 | C30 | 113.2° | 60.0° |
| O35 | C34 | C29 | O28 | 121.2° | 180.0° |
| O35 | C34 | C29 | H32 | 5.3° | 60.0° |
| O35 | C34 | C33 | H36 | 159.6° | 180.0° |
| O50 | C49 | O48 | C22 | 78.6° | 0.0° |
| O50 | C49 | C51 | H39 | 43.8° | 120.0° |
| O50 | C49 | C51 | H40 | 73.7° | 120.0° |
| C49 | O48 | C22 | C21 | 57.0° | 150.0° |
| C49 | O48 | C22 | C23 | 163.2° | 90.0° |
| C49 | O48 | C22 | H29 | 50.7° | 30.0° |
| O48 | C49 | C51 | H39 | 76.7° | 60.0° |
| O48 | C49 | C51 | H40 | 165.7° | 60.0° |
| O46 | C31 | C30 | H34 | 122.1° | 120.0° |
| O46 | C31 | C30 | C29 | 72.9° | 60.0° |
| O46 | C31 | C30 | O47 | 57.0° | 60.0° |
| O46 | C31 | C30 | H33 | 171.5° | 179.9° |
| O46 | C31 | C32 | H35 | 163.6° | 180.0° |
| C31 | C30 | C29 | C34 | 19.8° | 60.0° |
| C31 | C30 | C29 | O47 | 132.1° | 120.0° |
| C31 | C30 | C29 | H33 | 115.5° | 120.0° |
| C31 | C30 | O47 | H33 | 113.5° | 120.0° |
| C31 | C30 | C29 | O28 | 104.0° | 60.0° |
| C31 | C30 | C29 | H32 | 138.3° | 180.0° |
| C30 | C31 | C32 | H35 | 44.6° | 59.9° |
| C30 | C31 | O46 | H73 | 60.1° | 60.0° |
| C31 | C30 | O47 | H74 | 180.0° | 60.0° |
| C34 | C29 | C30 | O28 | 123.7° | 120.0° |
| C34 | C29 | C30 | H32 | 118.5° | 120.0° |
| C34 | C29 | C30 | O47 | 151.9° | 180.0° |
| C34 | C29 | O28 | H32 | 115.0° | 120.0° |
| C34 | C29 | O28 | P25 | 130.9° | 114.6° |
| C34 | C29 | C30 | H33 | 95.7° | 60.0° |
| C29 | C34 | C33 | H36 | 71.8° | 60.0° |
| C29 | C34 | O35 | H68 | 49.6° | 60.0° |
| O48 | C22 | C21 | C23 | 139.9° | 120.0° |
| O48 | C22 | C21 | H29 | 108.3° | 120.0° |
| O48 | C22 | C23 | H29 | 113.0° | 120.0° |
| O48 | C22 | C21 | O20 | 94.5° | 62.9° |
| O48 | C22 | C23 | O24 | 130.3° | 62.5° |
| O48 | C22 | C21 | H27 | 26.0° | 177.1° |
| O48 | C22 | C21 | H28 | 145.0° | 57.2° |
| O48 | C22 | C23 | H30 | 109.4° | 57.5° |
| O48 | C22 | C23 | H31 | 10.0° | 177.5° |
| C15 | C16 | C17 | H24 | 121.8° | 120.0° |
| C15 | C16 | C17 | H88 | 121.8° | 120.0° |
| C16 | C15 | C14 | H22 | 121.7° | 120.0° |
| C16 | C15 | C14 | H23 | 121.7° | 120.0° |
| C15 | C16 | C17 | C18 | 170.0° | 177.9° |
| C16 | C15 | C14 | C13 | 35.4° | 180.0° |
| C16 | C15 | C14 | H20 | 157.0° | 60.0° |
| C16 | C15 | C14 | H21 | 86.2° | 60.0° |
| C16 | C15 | H22 | H23 | 114.4° | 120.1° |
| C15 | C16 | H24 | H88 | 114.2° | 120.0° |
| C15 | C16 | C17 | H25 | 48.6° | 58.0° |
| C15 | C16 | C17 | H89 | 68.6° | 62.0° |
| C16 | C17 | C18 | O19 | 53.4° | 7.8° |
| C17 | C16 | C15 | C14 | 56.0° | 176.1° |
| C16 | C17 | C18 | H25 | 121.4° | 119.9° |
| C16 | C17 | C18 | H89 | 121.4° | 120.0° |
| C16 | C17 | C18 | O20 | 175.7° | 172.2° |
| C17 | C16 | C15 | H22 | 65.7° | 56.1° |
| C17 | C16 | C15 | H23 | 177.7° | 63.9° |
| C17 | C16 | H24 | H88 | 114.2° | 120.0° |
| C16 | C17 | H25 | H89 | 115.6° | 120.0° |
| O19 | C18 | C17 | O20 | 122.3° | 180.0° |
| O19 | C18 | O20 | C21 | 123.9° | 4.5° |
| O19 | C18 | C17 | H25 | 67.9° | 112.1° |
| O19 | C18 | C17 | H89 | 174.8° | 127.8° |
| C15 | C14 | C13 | H20 | 121.6° | 119.9° |
| C15 | C14 | C13 | H21 | 121.6° | 120.0° |
| C15 | C14 | C13 | C12 | 70.0° | 180.0° |
| C15 | C14 | C13 | H19 | 168.5° | 60.0° |
| C15 | C14 | H20 | H21 | 114.8° | 120.0° |
| C14 | C15 | H22 | H23 | 114.4° | 119.9° |
| C14 | C15 | C16 | H24 | 65.8° | 64.0° |
| C15 | C14 | C13 | H87 | 51.5° | 60.0° |
| C14 | C15 | C16 | H88 | 177.8° | 56.0° |
| C17 | C18 | O20 | C21 | 113.4° | 175.5° |
| C18 | C17 | C16 | H24 | 68.2° | 62.1° |
| C18 | C17 | H25 | H89 | 115.6° | 120.0° |
| C18 | C17 | C16 | H88 | 48.2° | 57.9° |
| C18 | O20 | C21 | C22 | 107.9° | 173.0° |
| O20 | C18 | C17 | H25 | 54.3° | 67.9° |
| C18 | O20 | C21 | H27 | 12.6° | 67.0° |
| C18 | O20 | C21 | H28 | 131.6° | 53.0° |
| O20 | C18 | C17 | H89 | 62.9° | 52.1° |
| C29 | C30 | O47 | H33 | 111.5° | 120.0° |
| C30 | C29 | O28 | H32 | 117.0° | 120.0° |
| C30 | C29 | O28 | P25 | 101.1° | 125.5° |
| C29 | C30 | C31 | H34 | 165.0° | 180.0° |
| C30 | C29 | C34 | H37 | 129.9° | 180.0° |
| C29 | C30 | O47 | H74 | 45.0° | 179.9° |
| O47 | C30 | C29 | O28 | 28.1° | 60.0° |
| O47 | C30 | C29 | H32 | 89.6° | 60.0° |
| O47 | C30 | C31 | H34 | 65.0° | 60.0° |
| C29 | O28 | P25 | O24 | 79.8° | 172.7° |
| C29 | O28 | P25 | O26 | 159.5° | 52.8° |
| C29 | O28 | P25 | O27 | 53.5° | 67.2° |
| O28 | C29 | C30 | H33 | 140.5° | 180.0° |
| O28 | C29 | C34 | H37 | 4.3° | 60.0° |
| C14 | C13 | C12 | H19 | 121.5° | 120.0° |
| C14 | C13 | C12 | H87 | 121.5° | 120.0° |
| C14 | C13 | C12 | C11 | 166.8° | 180.0° |
| C14 | C13 | C12 | H18 | 45.6° | 60.0° |
| C14 | C13 | H19 | H87 | 115.3° | 120.0° |
| C13 | C14 | H20 | H21 | 114.7° | 120.1° |
| C13 | C14 | C15 | H22 | 86.3° | 60.0° |
| C13 | C14 | C15 | H23 | 157.1° | 60.0° |
| C14 | C13 | C12 | H75 | 72.0° | 60.0° |
| C21 | C22 | C23 | H29 | 111.7° | 120.0° |
| C22 | C21 | O20 | H27 | 120.5° | 120.0° |
| C22 | C21 | O20 | H28 | 120.5° | 120.0° |
| C21 | C22 | C23 | O24 | 94.4° | 57.5° |
| C22 | C21 | H27 | H28 | 118.5° | 120.0° |
| C21 | C22 | C23 | H30 | 25.9° | 177.5° |
| C21 | C22 | C23 | H31 | 145.3° | 62.5° |
| C23 | C22 | C21 | O20 | 125.5° | 57.1° |
| C22 | C23 | O24 | H30 | 120.3° | 120.0° |
| C22 | C23 | O24 | H31 | 120.3° | 120.0° |
| C22 | C23 | O24 | P25 | 87.6° | 172.9° |
| C23 | C22 | C21 | H27 | 114.0° | 62.9° |
| C23 | C22 | C21 | H28 | 5.0° | 177.2° |
| C22 | C23 | H30 | H31 | 119.1° | 120.0° |
| O20 | C21 | H27 | H28 | 118.6° | 120.1° |
| O20 | C21 | C22 | H29 | 13.8° | 177.1° |
| O28 | P25 | O24 | C23 | 22.3° | 174.0° |
| O28 | P25 | O24 | O26 | 122.7° | 119.9° |
| O28 | P25 | O24 | O27 | 133.6° | 120.1° |
| O28 | P25 | O26 | O27 | 116.7° | 120.0° |
| P25 | O28 | C29 | H32 | 15.8° | 5.5° |
| O28 | P25 | O27 | H67 | 114.2° | 60.0° |
| C13 | C12 | C11 | H18 | 121.2° | 120.0° |
| C13 | C12 | C11 | H75 | 121.2° | 120.0° |
| C13 | C12 | C11 | C10 | 159.3° | 180.0° |
| C13 | C12 | C11 | H17 | 38.0° | 60.0° |
| C13 | C12 | H18 | H75 | 116.2° | 120.0° |
| C12 | C13 | H19 | H87 | 115.2° | 120.0° |
| C12 | C13 | C14 | H20 | 51.6° | 60.1° |
| C12 | C13 | C14 | H21 | 168.4° | 60.0° |
| C13 | C12 | C11 | H65 | 79.3° | 60.0° |
| C23 | O24 | P25 | O26 | 145.0° | 54.1° |
| C23 | O24 | P25 | O27 | 111.3° | 65.9° |
| O24 | C23 | C22 | H29 | 17.3° | 177.6° |
| O24 | C23 | H30 | H31 | 119.1° | 120.0° |
| O24 | P25 | O26 | O27 | 115.0° | 120.0° |
| P25 | O24 | C23 | H30 | 152.1° | 52.9° |
| P25 | O24 | C23 | H31 | 32.7° | 67.1° |
| O24 | P25 | O27 | H67 | 109.4° | 60.0° |
| O26 | P25 | O27 | H67 | 0.0° | 180.0° |
| C12 | C11 | C10 | H17 | 121.3° | 120.0° |
| C12 | C11 | C10 | H65 | 121.3° | 120.0° |
| C12 | C11 | C10 | C09 | 174.9° | 180.0° |
| C12 | C11 | C10 | H16 | 53.6° | 60.0° |
| C12 | C11 | H17 | H65 | 115.8° | 120.1° |
| C11 | C12 | H18 | H75 | 116.2° | 120.0° |
| C11 | C12 | C13 | H19 | 71.8° | 60.0° |
| C11 | C12 | C13 | H87 | 45.3° | 60.0° |
| C12 | C11 | C10 | H64 | 63.8° | 60.0° |
| C11 | C10 | C09 | H16 | 121.3° | 120.0° |
| C11 | C10 | C09 | H64 | 121.3° | 120.0° |
| C11 | C10 | C09 | C08 | 131.7° | 180.0° |
| C11 | C10 | C09 | H15 | 10.7° | 60.0° |
| C11 | C10 | H16 | H64 | 115.9° | 119.9° |
| C10 | C11 | H17 | H65 | 115.8° | 120.0° |
| C10 | C11 | C12 | H18 | 79.5° | 60.0° |
| C11 | C10 | C09 | H58 | 107.3° | 60.0° |
| C10 | C11 | C12 | H75 | 38.1° | 60.0° |
| C10 | C09 | C08 | H15 | 121.0° | 120.0° |
| C10 | C09 | C08 | H58 | 121.0° | 120.0° |
| C10 | C09 | C08 | C07 | 167.7° | 180.0° |
| C10 | C09 | C08 | H14 | 46.6° | 60.0° |
| C10 | C09 | H15 | H58 | 116.9° | 120.0° |
| C09 | C10 | H16 | H64 | 115.8° | 120.0° |
| C09 | C10 | C11 | H17 | 63.7° | 60.0° |
| C09 | C10 | C11 | H65 | 53.6° | 60.0° |
| C10 | C09 | C08 | H62 | 71.2° | 60.0° |
| C09 | C08 | C07 | H14 | 121.1° | 120.0° |
| C09 | C08 | C07 | H62 | 121.2° | 120.0° |
| C09 | C08 | C07 | C06 | 81.3° | 180.0° |
| C09 | C08 | C07 | H13 | 40.0° | 60.1° |
| C09 | C08 | H14 | H62 | 116.4° | 120.0° |
| C08 | C09 | H15 | H58 | 116.9° | 120.0° |
| C08 | C09 | C10 | H16 | 107.0° | 60.0° |
| C09 | C08 | C07 | H54 | 157.4° | 60.0° |
| C08 | C09 | C10 | H64 | 10.3° | 60.0° |
| C08 | C07 | C06 | H13 | 121.3° | 119.9° |
| C08 | C07 | C06 | H54 | 121.3° | 120.0° |
| C08 | C07 | C06 | C05 | 176.4° | 180.0° |
| C08 | C07 | C06 | H12 | 62.4° | 60.0° |
| C08 | C07 | H13 | H54 | 115.9° | 120.1° |
| C07 | C08 | H14 | H62 | 116.4° | 120.0° |
| C07 | C08 | C09 | H15 | 71.3° | 60.0° |
| C07 | C08 | C09 | H58 | 46.7° | 60.0° |
| C08 | C07 | C06 | H52 | 55.3° | 60.1° |
| C07 | C06 | C05 | H12 | 121.2° | 120.0° |
| C07 | C06 | C05 | H52 | 121.1° | 120.0° |
| C07 | C06 | C05 | C04 | 150.0° | 180.0° |
| C07 | C06 | C05 | H10 | 88.4° | 60.0° |
| C07 | C06 | C05 | H11 | 28.4° | 60.0° |
| C07 | C06 | H12 | H52 | 116.3° | 120.1° |
| C06 | C07 | H13 | H54 | 115.9° | 120.0° |
| C06 | C07 | C08 | H14 | 157.6° | 60.0° |
| C06 | C07 | C08 | H62 | 39.8° | 60.0° |
| C06 | C05 | C04 | H10 | 121.6° | 119.9° |
| C06 | C05 | C04 | H11 | 121.6° | 120.0° |
| C06 | C05 | C04 | C03 | 147.0° | 180.0° |
| C06 | C05 | C04 | H8 | 91.7° | 60.0° |
| C06 | C05 | C04 | H9 | 25.7° | 60.0° |
| C06 | C05 | H10 | H11 | 114.8° | 120.0° |
| C05 | C06 | H12 | H52 | 116.3° | 119.9° |
| C05 | C06 | C07 | H13 | 55.1° | 60.1° |
| C05 | C06 | C07 | H54 | 62.3° | 60.0° |
| C01 | C02 | C03 | H4 | 121.6° | 120.0° |
| C01 | C02 | C03 | H5 | 121.6° | 120.0° |
| C01 | C02 | C03 | C04 | 155.1° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | H4 | H5 | 114.9° | 119.9° |
| C01 | C02 | C03 | H6 | 34.0° | 60.0° |
| C01 | C02 | C03 | H7 | 83.8° | 60.0° |
| C02 | C03 | C04 | C05 | 64.0° | 180.0° |
| C02 | C03 | C04 | H6 | 121.1° | 120.0° |
| C02 | C03 | C04 | H7 | 121.1° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 59.9° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 114.9° | 120.1° |
| C02 | C03 | H6 | H7 | 116.5° | 119.9° |
| C02 | C03 | C04 | H8 | 174.7° | 60.0° |
| C02 | C03 | C04 | H9 | 57.3° | 60.0° |
| C05 | C04 | C03 | H8 | 121.3° | 120.0° |
| C05 | C04 | C03 | H9 | 121.3° | 120.0° |
| C05 | C04 | C03 | H6 | 174.9° | 60.0° |
| C05 | C04 | C03 | H7 | 57.1° | 60.0° |
| C05 | C04 | H8 | H9 | 115.9° | 120.0° |
| C04 | C05 | H10 | H11 | 114.7° | 120.1° |
| C04 | C05 | C06 | H12 | 28.8° | 60.0° |
| C04 | C05 | C06 | H52 | 88.9° | 60.0° |
| C04 | C03 | C02 | H4 | 83.3° | 60.0° |
| C04 | C03 | C02 | H5 | 33.5° | 60.0° |
| C04 | C03 | H6 | H7 | 116.5° | 120.1° |
| C03 | C04 | H8 | H9 | 115.8° | 120.0° |
| C03 | C04 | C05 | H10 | 25.4° | 60.1° |
| C03 | C04 | C05 | H11 | 91.3° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 58.4° | 60.0° |
| H1 | C01 | C02 | H5 | 58.4° | 180.0° |
| H2 | C01 | C02 | H4 | 61.6° | 180.0° |
| H2 | C01 | C02 | H5 | 178.4° | 60.1° |
| H3 | C01 | C02 | H4 | 178.4° | 60.0° |
| H3 | C01 | C02 | H5 | 61.6° | 59.9° |
| H4 | C02 | C03 | H6 | 155.6° | 179.9° |
| H4 | C02 | C03 | H7 | 37.8° | 60.0° |
| H5 | C02 | C03 | H6 | 87.6° | 60.0° |
| H5 | C02 | C03 | H7 | 154.7° | 180.0° |
| H6 | C03 | C04 | H8 | 53.6° | 180.0° |
| H6 | C03 | C04 | H9 | 63.8° | 60.0° |
| H7 | C03 | C04 | H8 | 64.2° | 60.0° |
| H7 | C03 | C04 | H9 | 178.4° | 180.0° |
| H8 | C04 | C05 | H10 | 146.7° | 179.9° |
| H8 | C04 | C05 | H11 | 30.0° | 60.0° |
| H9 | C04 | C05 | H10 | 95.9° | 60.0° |
| H9 | C04 | C05 | H11 | 147.4° | 180.0° |
| H10 | C05 | C06 | H12 | 150.4° | 180.0° |
| H10 | C05 | C06 | H52 | 32.7° | 60.0° |
| H11 | C05 | C06 | H12 | 92.8° | 60.1° |
| H11 | C05 | C06 | H52 | 149.5° | 179.9° |
| H12 | C06 | C07 | H13 | 176.3° | 180.0° |
| H12 | C06 | C07 | H54 | 58.9° | 60.0° |
| H13 | C07 | C08 | H14 | 81.2° | 179.9° |
| H13 | C07 | C06 | H52 | 66.0° | 59.9° |
| H13 | C07 | C08 | H62 | 161.1° | 59.9° |
| H14 | C08 | C09 | H15 | 167.6° | 180.0° |
| H14 | C08 | C07 | H54 | 36.3° | 60.0° |
| H14 | C08 | C09 | H58 | 74.4° | 60.0° |
| H15 | C09 | C10 | H16 | 132.0° | 180.0° |
| H15 | C09 | C08 | H62 | 49.8° | 60.0° |
| H15 | C09 | C10 | H64 | 110.6° | 60.0° |
| H16 | C10 | C11 | H17 | 174.9° | 179.9° |
| H16 | C10 | C09 | H58 | 14.0° | 60.0° |
| H16 | C10 | C11 | H65 | 67.7° | 60.0° |
| H17 | C11 | C12 | H18 | 159.2° | 179.9° |
| H17 | C11 | C12 | H75 | 83.2° | 60.0° |
| H17 | C11 | C10 | H64 | 57.6° | 60.0° |
| H18 | C12 | C13 | H19 | 167.0° | 180.0° |
| H18 | C12 | C11 | H65 | 41.9° | 60.0° |
| H18 | C12 | C13 | H87 | 75.9° | 60.0° |
| H19 | C13 | C14 | H20 | 69.8° | 179.9° |
| H19 | C13 | C14 | H21 | 46.9° | 60.0° |
| H19 | C13 | C12 | H75 | 49.5° | 60.0° |
| H20 | C14 | C15 | H22 | 35.3° | 179.9° |
| H20 | C14 | C15 | H23 | 81.3° | 60.0° |
| H20 | C14 | C13 | H87 | 173.1° | 59.9° |
| H21 | C14 | C15 | H22 | 152.1° | 60.1° |
| H21 | C14 | C15 | H23 | 35.5° | 180.0° |
| H21 | C14 | C13 | H87 | 70.2° | 180.0° |
| H22 | C15 | C16 | H24 | 172.5° | 176.1° |
| H22 | C15 | C16 | H88 | 56.1° | 63.9° |
| H23 | C15 | C16 | H24 | 55.9° | 56.0° |
| H23 | C15 | C16 | H88 | 60.5° | 176.0° |
| H24 | C16 | C17 | H25 | 170.4° | 178.0° |
| H24 | C16 | C17 | H89 | 53.1° | 57.9° |
| H25 | C17 | C16 | H88 | 73.2° | 62.0° |
| H27 | C21 | C22 | H29 | 134.3° | 57.2° |
| H28 | C21 | C22 | H29 | 106.7° | 62.8° |
| H29 | C22 | C23 | H30 | 137.6° | 62.4° |
| H29 | C22 | C23 | H31 | 103.0° | 57.6° |
| H32 | C29 | C30 | H33 | 22.8° | 60.0° |
| H32 | C29 | C34 | H37 | 111.5° | 60.0° |
| H33 | C30 | C31 | H34 | 49.4° | 60.0° |
| H33 | C30 | O47 | H74 | 66.5° | 60.0° |
| H34 | C31 | C32 | H35 | 76.0° | 60.0° |
| H34 | C31 | O46 | H73 | 60.7° | 60.0° |
| H35 | C32 | C33 | H36 | 152.3° | 180.0° |
| H36 | C33 | C34 | H37 | 45.0° | 60.0° |
| H37 | C34 | O35 | H68 | 66.3° | 60.0° |
| H39 | C51 | C52 | H41 | 176.7° | 180.0° |
| H39 | C51 | C52 | H42 | 59.4° | 59.9° |
| H40 | C51 | C52 | H41 | 59.1° | 59.9° |
| H40 | C51 | C52 | H42 | 58.2° | 180.0° |
| H41 | C52 | C53 | H43 | 12.7° | 179.9° |
| H41 | C52 | C53 | H44 | 104.4° | 59.9° |
| H42 | C52 | C53 | H43 | 104.6° | 60.0° |
| H42 | C52 | C53 | H44 | 138.3° | 180.0° |
| H43 | C53 | C54 | H46 | 86.2° | 175.0° |
| H44 | C53 | C54 | H46 | 156.7° | 65.0° |
| H46 | C54 | C55 | H47 | 148.7° | NaN° |
| H47 | C55 | C56 | H49 | 128.5° | 65.0° |
| H47 | C55 | C56 | H50 | 11.1° | 175.0° |
| H49 | C56 | C57 | H51 | 161.0° | 175.0° |
| H50 | C56 | C57 | H51 | 81.6° | 65.0° |
| H51 | C57 | C58 | H53 | 147.9° | 180.0° |
| H53 | C58 | C59 | H55 | 93.2° | 65.0° |
| H53 | C58 | C59 | H56 | 24.7° | 175.0° |
| H55 | C59 | C60 | H57 | 66.1° | 175.0° |
| H56 | C59 | C60 | H57 | 176.1° | 65.0° |
| H57 | C60 | C61 | H59 | 125.3° | 180.0° |
| H59 | C61 | C62 | H60 | 112.1° | 65.0° |
| H59 | C61 | C62 | H38 | 130.2° | 175.0° |
| H60 | C62 | C63 | H61 | 117.3° | 176.1° |
| H61 | C63 | C64 | H63 | 40.2° | 8.6° |
| H61 | C63 | C64 | C1 | 139.8° | 171.4° |
| H61 | C63 | C62 | H38 | 125.0° | 64.0° |
| H63 | C64 | C1 | C2 | 90.0° | 56.0° |
| H63 | C64 | C1 | H85 | 90.0° | 63.9° |
| H63 | C64 | C1 | H86 | 90.0° | 176.1° |
| C64 | C1 | C2 | H85 | 90.0° | 120.0° |
| C64 | C1 | C2 | H86 | 90.0° | 120.0° |
| C64 | C1 | C2 | C3 | 90.0° | 180.0° |
| C64 | C1 | H85 | H86 | 90.0° | 120.0° |
| C64 | C1 | C2 | H84 | 90.0° | 60.0° |
| C64 | C1 | C2 | H83 | 90.0° | 59.9° |
| C1 | C2 | C3 | H84 | 90.0° | 120.0° |
| C1 | C2 | C3 | H83 | 90.0° | 120.1° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C2 | C1 | H85 | H86 | 90.0° | 120.0° |
| C1 | C2 | H84 | H83 | 90.0° | 120.0° |
| C1 | C2 | C3 | H82 | 90.0° | 60.0° |
| C1 | C2 | C3 | H81 | 90.0° | 60.0° |
| C2 | C3 | C4 | H82 | 90.0° | 120.1° |
| C2 | C3 | C4 | H81 | 90.0° | 120.0° |
| C2 | C3 | C4 | C5 | 90.0° | 180.0° |
| C3 | C2 | C1 | H85 | 90.0° | 60.0° |
| C3 | C2 | C1 | H86 | 90.0° | 60.0° |
| C3 | C2 | H84 | H83 | 90.0° | 120.0° |
| C2 | C3 | H82 | H81 | 90.0° | 120.0° |
| C2 | C3 | C4 | H80 | 90.0° | 59.9° |
| C2 | C3 | C4 | H79 | 90.0° | 60.0° |
| C3 | C4 | C5 | H80 | 90.0° | 120.1° |
| C3 | C4 | C5 | H79 | 90.0° | 120.0° |
| C4 | C3 | C2 | H84 | 90.0° | 60.0° |
| C4 | C3 | C2 | H83 | 90.0° | 60.0° |
| C4 | C3 | H82 | H81 | 90.0° | 119.9° |
| C3 | C4 | H80 | H79 | 90.0° | 120.0° |
| C3 | C4 | C5 | H78 | 90.0° | 60.0° |
| C3 | C4 | C5 | H76 | 90.0° | 60.0° |
| C3 | C4 | C5 | H77 | 90.0° | 180.0° |
| C5 | C4 | C3 | H82 | 90.0° | 59.9° |
| C5 | C4 | C3 | H81 | 90.0° | 60.0° |
| C5 | C4 | H80 | H79 | 90.0° | 120.0° |
| C4 | C5 | H78 | H76 | 90.0° | 120.0° |
| C4 | C5 | H78 | H77 | 90.0° | 120.0° |
| C4 | C5 | H76 | H77 | 90.0° | 120.0° |
| H85 | C1 | C2 | H84 | 90.0° | 180.0° |
| H85 | C1 | C2 | H83 | 90.0° | 60.1° |
| H86 | C1 | C2 | H84 | 90.0° | 60.0° |
| H86 | C1 | C2 | H83 | 90.0° | 180.0° |
| H84 | C2 | C3 | H82 | 90.0° | 180.0° |
| H84 | C2 | C3 | H81 | 90.0° | 60.0° |
| H83 | C2 | C3 | H82 | 90.0° | 60.1° |
| H83 | C2 | C3 | H81 | 90.0° | 179.9° |
| H82 | C3 | C4 | H80 | 90.0° | 180.0° |
| H82 | C3 | C4 | H79 | 90.0° | 60.0° |
| H81 | C3 | C4 | H80 | 90.0° | 60.0° |
| H81 | C3 | C4 | H79 | 90.0° | 180.0° |
| H80 | C4 | C5 | H78 | 90.0° | 180.0° |
| H80 | C4 | C5 | H76 | 90.0° | 60.0° |
| H80 | C4 | C5 | H77 | 90.0° | 60.0° |
| H79 | C4 | C5 | H78 | 90.0° | 60.0° |
| H79 | C4 | C5 | H76 | 90.0° | 180.0° |
| H79 | C4 | C5 | H77 | 90.0° | 60.0° |
| H78 | C5 | H76 | H77 | 90.0° | 120.0° |
| H54 | C07 | C06 | H52 | 176.6° | 179.9° |
| H54 | C07 | C08 | H62 | 81.4° | 180.0° |
| H58 | C09 | C08 | H62 | 167.8° | 180.0° |
| H58 | C09 | C10 | H64 | 131.3° | 180.0° |
| H65 | C11 | C12 | H75 | 159.4° | 179.9° |
| H65 | C11 | C10 | H64 | 174.9° | 180.0° |
| H75 | C12 | C13 | H87 | 166.5° | 180.0° |
| H88 | C16 | C17 | H89 | 169.6° | 178.0° |
