A1IKT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | C31 | sing | 1.43Å | 1.42Å | |
| O35 | C30 | sing | 1.43Å | 1.42Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| O33 | C32 | sing | 1.43Å | 1.42Å | |
| C32 | C27 | sing | 1.53Å | 1.52Å | |
| O36 | C29 | sing | 1.43Å | 1.42Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | O37 | sing | 1.43Å | 1.42Å | |
| C27 | O26 | sing | 1.43Å | 1.44Å | |
| O26 | P23 | sing | 1.61Å | 1.63Å | |
| O22 | P23 | sing | 1.61Å | 1.59Å | |
| O22 | C21 | sing | 1.43Å | 1.44Å | |
| P23 | O24 | doub | 1.48Å | 1.48Å | |
| P23 | O25 | sing | 1.61Å | 1.48Å | |
| O38 | C20 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | O18 | sing | 1.45Å | 1.45Å | |
| O18 | C16 | sing | 1.34Å | 1.33Å | |
| C16 | O17 | doub | 1.21Å | 1.20Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| O25 | H43 | sing | 0.97Å | 0.95Å | |
| O33 | H44 | sing | 0.97Å | 0.95Å | |
| O34 | H45 | sing | 0.97Å | 0.95Å | |
| O35 | H46 | sing | 0.97Å | 0.95Å | |
| O36 | H47 | sing | 0.97Å | 0.95Å | |
| O37 | H48 | sing | 0.97Å | 0.95Å | |
| O38 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C31 | C30 | 110.1° | 109.5° |
| O34 | C31 | C32 | 110.2° | 109.5° |
| O34 | C31 | H41 | 109.5° | 109.5° |
| C31 | O34 | H45 | 109.5° | 114.0° |
| O35 | C30 | C31 | 110.0° | 109.5° |
| O35 | C30 | C29 | 109.9° | 109.5° |
| O35 | C30 | H40 | 109.6° | 109.5° |
| C30 | O35 | H46 | 109.5° | 114.0° |
| C31 | C30 | C29 | 110.7° | 109.5° |
| C30 | C31 | C32 | 110.7° | 109.5° |
| C31 | C30 | H40 | 108.3° | 109.5° |
| C30 | C31 | H41 | 108.1° | 109.5° |
| C30 | C29 | O36 | 110.1° | 109.5° |
| C30 | C29 | C28 | 110.7° | 109.5° |
| C30 | C29 | H39 | 108.2° | 109.5° |
| C29 | C30 | H40 | 108.3° | 109.5° |
| C31 | C32 | O33 | 110.1° | 109.5° |
| C31 | C32 | C27 | 110.0° | 109.4° |
| C32 | C31 | H41 | 108.2° | 109.4° |
| C31 | C32 | H42 | 108.4° | 109.5° |
| O33 | C32 | C27 | 110.2° | 109.4° |
| O33 | C32 | H42 | 109.7° | 109.5° |
| C32 | O33 | H44 | 109.5° | 114.0° |
| C32 | C27 | C28 | 111.0° | 109.5° |
| C32 | C27 | O26 | 108.9° | 109.5° |
| C32 | C27 | H8 | 109.0° | 109.5° |
| C27 | C32 | H42 | 108.4° | 109.5° |
| O36 | C29 | C28 | 110.1° | 109.5° |
| O36 | C29 | H39 | 109.5° | 109.4° |
| C29 | O36 | H47 | 109.5° | 114.0° |
| C29 | C28 | C27 | 110.1° | 109.5° |
| C29 | C28 | O37 | 109.9° | 109.5° |
| C29 | C28 | H7 | 108.4° | 109.5° |
| C28 | C29 | H39 | 108.1° | 109.5° |
| C27 | C28 | O37 | 110.3° | 109.5° |
| C28 | C27 | O26 | 108.9° | 109.5° |
| C27 | C28 | H7 | 108.4° | 109.5° |
| C28 | C27 | H8 | 109.0° | 109.5° |
| O37 | C28 | H7 | 109.7° | 109.5° |
| C28 | O37 | H48 | 109.5° | 114.0° |
| C27 | O26 | P23 | 115.7° | 123.0° |
| O26 | C27 | H8 | 110.0° | 109.4° |
| O26 | P23 | O22 | 99.3° | 109.5° |
| O26 | P23 | O24 | 108.8° | 109.5° |
| O26 | P23 | O25 | 108.3° | 109.5° |
| P23 | O22 | C21 | 120.0° | 123.0° |
| O22 | P23 | O24 | 110.2° | 109.5° |
| O22 | P23 | O25 | 108.7° | 109.5° |
| O22 | C21 | C20 | 109.0° | 109.5° |
| O22 | C21 | H37 | 109.6° | 109.5° |
| O22 | C21 | H38 | 109.6° | 109.5° |
| O24 | P23 | O25 | 119.6° | 109.5° |
| P23 | O25 | H43 | 109.5° | 114.0° |
| O38 | C20 | C21 | 109.7° | 109.5° |
| O38 | C20 | C19 | 109.7° | 109.5° |
| O38 | C20 | H36 | 108.8° | 109.4° |
| C20 | O38 | H49 | 109.5° | 114.0° |
| C21 | C20 | C19 | 113.0° | 109.5° |
| C21 | C20 | H36 | 107.8° | 109.5° |
| C20 | C21 | H37 | 109.6° | 109.5° |
| C20 | C21 | H38 | 109.6° | 109.4° |
| C20 | C19 | O18 | 108.8° | 109.5° |
| C20 | C19 | H5 | 109.7° | 109.5° |
| C20 | C19 | H6 | 109.7° | 109.4° |
| C19 | C20 | H36 | 107.8° | 109.5° |
| C19 | O18 | C16 | 117.0° | 117.0° |
| O18 | C19 | H5 | 109.6° | 109.5° |
| O18 | C19 | H6 | 109.6° | 109.5° |
| O18 | C16 | O17 | 123.8° | 120.0° |
| O18 | C16 | C15 | 111.2° | 120.0° |
| O17 | C16 | C15 | 124.9° | 120.0° |
| C16 | C15 | C14 | 113.5° | 109.5° |
| C16 | C15 | H3 | 108.4° | 109.5° |
| C16 | C15 | H4 | 108.5° | 109.5° |
| C15 | C14 | C13 | 112.3° | 109.5° |
| C14 | C15 | H3 | 108.4° | 109.5° |
| C14 | C15 | H4 | 108.4° | 109.4° |
| C15 | C14 | H34 | 108.8° | 109.4° |
| C15 | C14 | H35 | 108.7° | 109.4° |
| C14 | C13 | C12 | 113.8° | 109.4° |
| C14 | C13 | H32 | 108.4° | 109.5° |
| C14 | C13 | H33 | 108.4° | 109.5° |
| C13 | C14 | H34 | 108.7° | 109.5° |
| C13 | C14 | H35 | 108.7° | 109.5° |
| C13 | C12 | C11 | 114.3° | 109.4° |
| C13 | C12 | H30 | 108.2° | 109.5° |
| C13 | C12 | H31 | 108.2° | 109.5° |
| C12 | C13 | H32 | 108.4° | 109.5° |
| C12 | C13 | H33 | 108.4° | 109.5° |
| C12 | C11 | C10 | 113.8° | 109.4° |
| C12 | C11 | H28 | 108.4° | 109.4° |
| C12 | C11 | H29 | 108.4° | 109.4° |
| C11 | C12 | H30 | 108.3° | 109.5° |
| C11 | C12 | H31 | 108.3° | 109.4° |
| C11 | C10 | C09 | 114.3° | 109.4° |
| C11 | C10 | H1 | 108.3° | 109.5° |
| C11 | C10 | H2 | 108.3° | 109.5° |
| C10 | C11 | H28 | 108.4° | 109.5° |
| C10 | C11 | H29 | 108.4° | 109.5° |
| C10 | C09 | C08 | 113.3° | 109.5° |
| C09 | C10 | H1 | 108.2° | 109.4° |
| C09 | C10 | H2 | 108.2° | 109.5° |
| C10 | C09 | H26 | 108.5° | 109.5° |
| C10 | C09 | H27 | 108.5° | 109.5° |
| C09 | C08 | C07 | 114.7° | 109.5° |
| C09 | C08 | H24 | 108.1° | 109.5° |
| C09 | C08 | H25 | 108.2° | 109.4° |
| C08 | C09 | H26 | 108.5° | 109.4° |
| C08 | C09 | H27 | 108.5° | 109.4° |
| C08 | C07 | C06 | 114.5° | 109.5° |
| C08 | C07 | H22 | 108.2° | 109.5° |
| C08 | C07 | H23 | 108.2° | 109.5° |
| C07 | C08 | H24 | 108.2° | 109.5° |
| C07 | C08 | H25 | 108.2° | 109.5° |
| C07 | C06 | C05 | 113.3° | 109.5° |
| C07 | C06 | H20 | 108.5° | 109.5° |
| C07 | C06 | H21 | 108.5° | 109.5° |
| C06 | C07 | H22 | 108.2° | 109.5° |
| C06 | C07 | H23 | 108.2° | 109.5° |
| C06 | C05 | C04 | 112.5° | 109.5° |
| C06 | C05 | H18 | 108.7° | 109.5° |
| C06 | C05 | H19 | 108.7° | 109.4° |
| C05 | C06 | H20 | 108.5° | 109.5° |
| C05 | C06 | H21 | 108.5° | 109.4° |
| C03 | C02 | C01 | 113.3° | 109.4° |
| C02 | C03 | C04 | 114.0° | 109.4° |
| C03 | C02 | H12 | 108.5° | 109.5° |
| C03 | C02 | H13 | 108.5° | 109.5° |
| C02 | C03 | H14 | 108.3° | 109.5° |
| C02 | C03 | H15 | 108.3° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C01 | C02 | H12 | 108.5° | 109.4° |
| C01 | C02 | H13 | 108.5° | 109.5° |
| C05 | C04 | C03 | 113.7° | 109.5° |
| C05 | C04 | H16 | 108.4° | 109.5° |
| C05 | C04 | H17 | 108.4° | 109.5° |
| C04 | C05 | H18 | 108.7° | 109.5° |
| C04 | C05 | H19 | 108.7° | 109.5° |
| C04 | C03 | H14 | 108.4° | 109.4° |
| C04 | C03 | H15 | 108.3° | 109.4° |
| C03 | C04 | H16 | 108.4° | 109.5° |
| C03 | C04 | H17 | 108.4° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H5 | C19 | H6 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.4° | 109.5° |
| H12 | C02 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H18 | C05 | H19 | 109.5° | 109.4° |
| H20 | C06 | H21 | 109.4° | 109.4° |
| H22 | C07 | H23 | 109.5° | 109.5° |
| H24 | C08 | H25 | 109.5° | 109.4° |
| H26 | C09 | H27 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.4° | 109.5° |
| H30 | C12 | H31 | 109.5° | 109.5° |
| H32 | C13 | H33 | 109.5° | 109.5° |
| H34 | C14 | H35 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C31 | C30 | O35 | 59.2° | 60.0° |
| O34 | C31 | C30 | C32 | 122.1° | 120.0° |
| O34 | C31 | C30 | H41 | 119.6° | 120.0° |
| O34 | C31 | C30 | C29 | 179.1° | 180.0° |
| O34 | C31 | C32 | H41 | 119.6° | 120.0° |
| O34 | C31 | C32 | O33 | 57.7° | 60.0° |
| O34 | C31 | C32 | C27 | 179.3° | 180.0° |
| O34 | C31 | C30 | H40 | 60.5° | 60.0° |
| O34 | C31 | C32 | H42 | 62.4° | 60.0° |
| O35 | C30 | C31 | C29 | 121.6° | 120.0° |
| O35 | C30 | C31 | H40 | 119.8° | 120.0° |
| O35 | C30 | C29 | H40 | 119.7° | 120.0° |
| O35 | C30 | C31 | C32 | 178.7° | 180.0° |
| O35 | C30 | C29 | O36 | 59.4° | 60.0° |
| O35 | C30 | C29 | C28 | 178.6° | 180.0° |
| O35 | C30 | C29 | H39 | 60.2° | 60.0° |
| O35 | C30 | C31 | H41 | 60.3° | 60.0° |
| C31 | C30 | C29 | H40 | 118.6° | 120.0° |
| C30 | C31 | C32 | H41 | 118.3° | 120.0° |
| C30 | C31 | C32 | O33 | 64.4° | 60.0° |
| C30 | C31 | C32 | C27 | 57.2° | 60.0° |
| C31 | C30 | C29 | O36 | 178.9° | 180.0° |
| C31 | C30 | C29 | C28 | 56.9° | 60.0° |
| C31 | C30 | C29 | H39 | 61.5° | 60.0° |
| C30 | C31 | C32 | H42 | 175.6° | 180.0° |
| C30 | C31 | O34 | H45 | 180.0° | 60.0° |
| C31 | C30 | O35 | H46 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 57.0° | 60.0° |
| C30 | C29 | O36 | C28 | 122.4° | 120.0° |
| C30 | C29 | O36 | H39 | 118.8° | 120.0° |
| C30 | C29 | C28 | H39 | 118.4° | 120.1° |
| C30 | C29 | C28 | C27 | 57.0° | 60.0° |
| C30 | C29 | C28 | O37 | 178.7° | 180.0° |
| C30 | C29 | C28 | H7 | 61.4° | 60.0° |
| C29 | C30 | C31 | H41 | 61.3° | 60.0° |
| C29 | C30 | O35 | H46 | 57.9° | 60.0° |
| C30 | C29 | O36 | H47 | 180.0° | 60.0° |
| C31 | C32 | O33 | C27 | 121.5° | 120.0° |
| C31 | C32 | O33 | H42 | 119.2° | 120.1° |
| C31 | C32 | C27 | H42 | 118.3° | 120.0° |
| C31 | C32 | C27 | C28 | 57.9° | 60.0° |
| C31 | C32 | C27 | O26 | 177.8° | 180.0° |
| C31 | C32 | C27 | H8 | 62.1° | 60.1° |
| C32 | C31 | C30 | H40 | 61.6° | 60.0° |
| C31 | C32 | O33 | H44 | 180.0° | 60.0° |
| C32 | C31 | O34 | H45 | 57.6° | 180.0° |
| O33 | C32 | C27 | H42 | 120.1° | 120.0° |
| O33 | C32 | C27 | C28 | 63.6° | 60.0° |
| O33 | C32 | C27 | O26 | 56.2° | 60.0° |
| O33 | C32 | C27 | H8 | 176.3° | 180.0° |
| O33 | C32 | C31 | H41 | 177.3° | 180.0° |
| C32 | C27 | C28 | C29 | 57.8° | 60.0° |
| C32 | C27 | C28 | O26 | 119.9° | 120.0° |
| C32 | C27 | C28 | H8 | 120.1° | 120.0° |
| C32 | C27 | C28 | O37 | 179.3° | 180.0° |
| C32 | C27 | O26 | H8 | 119.4° | 120.0° |
| C32 | C27 | O26 | P23 | 136.3° | 119.9° |
| C32 | C27 | C28 | H7 | 60.6° | 60.0° |
| C27 | C32 | C31 | H41 | 61.1° | 60.0° |
| C27 | C32 | O33 | H44 | 58.5° | 180.0° |
| O36 | C29 | C28 | H39 | 119.6° | 119.9° |
| O36 | C29 | C28 | C27 | 179.0° | 180.0° |
| O36 | C29 | C28 | O37 | 59.3° | 60.0° |
| O36 | C29 | C28 | H7 | 60.7° | 60.0° |
| O36 | C29 | C30 | H40 | 60.3° | 60.0° |
| C29 | C28 | C27 | O37 | 121.5° | 120.0° |
| C29 | C28 | C27 | H7 | 118.4° | 120.0° |
| C29 | C28 | O37 | H7 | 119.1° | 120.0° |
| C29 | C28 | C27 | O26 | 177.7° | 180.0° |
| C29 | C28 | C27 | H8 | 62.3° | 60.0° |
| C28 | C29 | C30 | H40 | 61.7° | 60.0° |
| C28 | C29 | O36 | H47 | 57.6° | 180.0° |
| C29 | C28 | O37 | H48 | 180.0° | 60.0° |
| C27 | C28 | O37 | H7 | 119.3° | 120.0° |
| C28 | C27 | O26 | H8 | 119.4° | 120.0° |
| C28 | C27 | O26 | P23 | 102.6° | 120.0° |
| C27 | C28 | C29 | H39 | 61.4° | 60.1° |
| C28 | C27 | C32 | H42 | 176.3° | 180.0° |
| C27 | C28 | O37 | H48 | 58.5° | 180.0° |
| O37 | C28 | C27 | O26 | 60.9° | 60.0° |
| O37 | C28 | C27 | H8 | 59.2° | 59.9° |
| O37 | C28 | C29 | H39 | 60.3° | 59.9° |
| C27 | O26 | P23 | O22 | 1.4° | 175.0° |
| C27 | O26 | P23 | O24 | 113.8° | 55.0° |
| C27 | O26 | P23 | O25 | 114.7° | 65.0° |
| O26 | C27 | C28 | H7 | 59.3° | 60.0° |
| O26 | C27 | C32 | H42 | 63.9° | 59.9° |
| O26 | P23 | O22 | O24 | 114.1° | 120.0° |
| O26 | P23 | O22 | O25 | 113.1° | 120.0° |
| O26 | P23 | O22 | C21 | 160.8° | 175.0° |
| O26 | P23 | O24 | O25 | 125.1° | 120.0° |
| P23 | O26 | C27 | H8 | 16.8° | 0.0° |
| O26 | P23 | O25 | H43 | 125.3° | 60.0° |
| O22 | P23 | O24 | O25 | 127.0° | 120.0° |
| P23 | O22 | C21 | C20 | 118.2° | 180.0° |
| P23 | O22 | C21 | H37 | 121.9° | 60.0° |
| P23 | O22 | C21 | H38 | 1.7° | 60.0° |
| O22 | P23 | O25 | H43 | 127.7° | 59.9° |
| C21 | O22 | P23 | O24 | 46.7° | 55.0° |
| C21 | O22 | P23 | O25 | 86.1° | 65.0° |
| O22 | C21 | C20 | O38 | 33.1° | 65.0° |
| O22 | C21 | C20 | H37 | 119.9° | 120.0° |
| O22 | C21 | C20 | H38 | 119.9° | 120.0° |
| O22 | C21 | C20 | C19 | 89.7° | 175.0° |
| O22 | C21 | C20 | H36 | 151.4° | 55.0° |
| O22 | C21 | H37 | H38 | 120.2° | 120.0° |
| O24 | P23 | O25 | H43 | 0.0° | 180.0° |
| O38 | C20 | C21 | C19 | 122.7° | 120.0° |
| O38 | C20 | C21 | H36 | 118.3° | 120.0° |
| O38 | C20 | C19 | H36 | 118.3° | 120.0° |
| O38 | C20 | C19 | O18 | 179.0° | 65.0° |
| O38 | C20 | C19 | H5 | 59.1° | 175.0° |
| O38 | C20 | C19 | H6 | 61.1° | 55.0° |
| O38 | C20 | C21 | H37 | 86.9° | 55.0° |
| O38 | C20 | C21 | H38 | 153.0° | 175.0° |
| C21 | C20 | C19 | H36 | 119.0° | 120.0° |
| C21 | C20 | C19 | O18 | 56.3° | 175.0° |
| C21 | C20 | C19 | H5 | 63.6° | 55.0° |
| C21 | C20 | C19 | H6 | 176.2° | 65.0° |
| C20 | C21 | H37 | H38 | 120.2° | 119.9° |
| C21 | C20 | O38 | H49 | 180.0° | 60.0° |
| C20 | C19 | O18 | H5 | 119.9° | 120.0° |
| C20 | C19 | O18 | H6 | 119.9° | 120.0° |
| C20 | C19 | O18 | C16 | 137.8° | 180.0° |
| C20 | C19 | H5 | H6 | 120.3° | 119.9° |
| C19 | C20 | C21 | H37 | 150.4° | 65.0° |
| C19 | C20 | C21 | H38 | 30.3° | 55.0° |
| C19 | C20 | O38 | H49 | 55.4° | 60.0° |
| C19 | O18 | C16 | O17 | 0.2° | 0.0° |
| C19 | O18 | C16 | C15 | 179.8° | 180.0° |
| O18 | C19 | H5 | H6 | 120.3° | 120.0° |
| O18 | C19 | C20 | H36 | 62.7° | 55.0° |
| O18 | C16 | O17 | C15 | 179.9° | 180.0° |
| O18 | C16 | C15 | C14 | 97.8° | 180.0° |
| O18 | C16 | C15 | H3 | 141.6° | 59.9° |
| O18 | C16 | C15 | H4 | 22.8° | 60.0° |
| C16 | O18 | C19 | H5 | 102.3° | 60.0° |
| C16 | O18 | C19 | H6 | 17.9° | 60.0° |
| O17 | C16 | C15 | C14 | 82.3° | 0.0° |
| O17 | C16 | C15 | H3 | 38.3° | 120.0° |
| O17 | C16 | C15 | H4 | 157.1° | 120.0° |
| C16 | C15 | C14 | H3 | 120.6° | 120.0° |
| C16 | C15 | C14 | H4 | 120.6° | 120.0° |
| C16 | C15 | C14 | C13 | 177.0° | 180.0° |
| C16 | C15 | H3 | H4 | 118.2° | 120.0° |
| C16 | C15 | C14 | H34 | 56.6° | 60.0° |
| C16 | C15 | C14 | H35 | 62.6° | 59.9° |
| C15 | C14 | C13 | H34 | 120.4° | 119.9° |
| C15 | C14 | C13 | H35 | 120.4° | 120.0° |
| C15 | C14 | C13 | C12 | 60.9° | 180.0° |
| C14 | C15 | H3 | H4 | 118.1° | 120.0° |
| C15 | C14 | C13 | H32 | 59.7° | 60.0° |
| C15 | C14 | C13 | H33 | 178.5° | 60.1° |
| C15 | C14 | H34 | H35 | 118.7° | 120.0° |
| C14 | C13 | C12 | H32 | 120.6° | 120.0° |
| C14 | C13 | C12 | H33 | 120.6° | 120.0° |
| C14 | C13 | C12 | C11 | 77.2° | 180.0° |
| C13 | C14 | C15 | H3 | 62.4° | 60.0° |
| C13 | C14 | C15 | H4 | 56.4° | 60.0° |
| C14 | C13 | C12 | H30 | 43.5° | 60.0° |
| C14 | C13 | C12 | H31 | 162.1° | 60.0° |
| C14 | C13 | H32 | H33 | 118.1° | 120.0° |
| C13 | C14 | H34 | H35 | 118.7° | 120.1° |
| C13 | C12 | C11 | H30 | 120.7° | 120.0° |
| C13 | C12 | C11 | H31 | 120.7° | 120.0° |
| C13 | C12 | C11 | C10 | 167.2° | NaN° |
| C13 | C12 | C11 | H28 | 72.1° | 60.0° |
| C13 | C12 | C11 | H29 | 46.6° | 60.0° |
| C13 | C12 | H30 | H31 | 117.8° | 120.1° |
| C12 | C13 | H32 | H33 | 118.0° | 120.0° |
| C12 | C13 | C14 | H34 | 178.7° | 60.0° |
| C12 | C13 | C14 | H35 | 59.5° | 60.0° |
| C12 | C11 | C10 | H28 | 120.7° | 120.0° |
| C12 | C11 | C10 | H29 | 120.6° | 119.9° |
| C12 | C11 | C10 | C09 | 160.2° | 180.0° |
| C12 | C11 | C10 | H1 | 79.1° | 60.1° |
| C12 | C11 | C10 | H2 | 39.5° | 60.0° |
| C12 | C11 | H28 | H29 | 118.0° | 120.0° |
| C11 | C12 | H30 | H31 | 117.8° | 120.0° |
| C11 | C12 | C13 | H32 | 162.2° | 60.0° |
| C11 | C12 | C13 | H33 | 43.4° | 60.0° |
| C11 | C10 | C09 | H1 | 120.7° | 119.9° |
| C11 | C10 | C09 | H2 | 120.7° | 120.0° |
| C11 | C10 | C09 | C08 | 69.7° | 180.0° |
| C11 | C10 | H1 | H2 | 117.9° | 120.0° |
| C11 | C10 | C09 | H26 | 50.9° | 60.0° |
| C11 | C10 | C09 | H27 | 169.8° | 60.0° |
| C10 | C11 | H28 | H29 | 118.0° | 120.1° |
| C10 | C11 | C12 | H30 | 46.5° | 60.0° |
| C10 | C11 | C12 | H31 | 72.1° | 60.0° |
| C10 | C09 | C08 | H26 | 120.6° | 120.0° |
| C10 | C09 | C08 | H27 | 120.6° | 120.0° |
| C10 | C09 | C08 | C07 | 174.9° | 180.0° |
| C09 | C10 | H1 | H2 | 117.8° | 120.1° |
| C10 | C09 | C08 | H24 | 54.1° | 60.0° |
| C10 | C09 | C08 | H25 | 64.4° | 60.0° |
| C10 | C09 | H26 | H27 | 118.3° | 120.1° |
| C09 | C10 | C11 | H28 | 39.6° | 60.1° |
| C09 | C10 | C11 | H29 | 79.1° | 60.0° |
| C09 | C08 | C07 | H24 | 120.7° | 120.0° |
| C09 | C08 | C07 | H25 | 120.8° | 120.0° |
| C09 | C08 | C07 | C06 | 52.7° | 180.0° |
| C08 | C09 | C10 | H1 | 169.6° | 60.1° |
| C08 | C09 | C10 | H2 | 51.1° | 60.0° |
| C09 | C08 | C07 | H22 | 173.5° | 60.0° |
| C09 | C08 | C07 | H23 | 68.0° | 60.0° |
| C09 | C08 | H24 | H25 | 117.6° | 120.0° |
| C08 | C09 | H26 | H27 | 118.2° | 119.9° |
| C08 | C07 | C06 | H22 | 120.7° | 120.0° |
| C08 | C07 | C06 | H23 | 120.7° | 120.0° |
| C08 | C07 | C06 | C05 | 162.4° | 180.0° |
| C08 | C07 | C06 | H20 | 77.0° | 60.0° |
| C08 | C07 | C06 | H21 | 41.9° | 60.0° |
| C08 | C07 | H22 | H23 | 117.7° | 120.0° |
| C07 | C08 | H24 | H25 | 117.6° | 120.0° |
| C07 | C08 | C09 | H26 | 64.6° | 60.0° |
| C07 | C08 | C09 | H27 | 54.3° | 60.0° |
| C07 | C06 | C05 | H20 | 120.6° | 120.0° |
| C07 | C06 | C05 | H21 | 120.6° | 120.0° |
| C07 | C06 | C05 | C04 | 67.6° | 180.0° |
| C07 | C06 | C05 | H18 | 52.9° | 60.0° |
| C07 | C06 | C05 | H19 | 172.0° | 60.0° |
| C07 | C06 | H20 | H21 | 118.2° | 120.0° |
| C06 | C07 | H22 | H23 | 117.7° | 120.0° |
| C06 | C07 | C08 | H24 | 68.0° | 60.0° |
| C06 | C07 | C08 | H25 | 173.5° | 60.0° |
| C06 | C05 | C04 | H18 | 120.4° | 120.0° |
| C06 | C05 | C04 | H19 | 120.4° | 120.0° |
| C06 | C05 | C04 | C03 | 74.1° | 180.0° |
| C06 | C05 | C04 | H16 | 46.5° | 60.0° |
| C06 | C05 | C04 | H17 | 165.3° | 60.0° |
| C06 | C05 | H18 | H19 | 118.6° | 119.9° |
| C05 | C06 | H20 | H21 | 118.2° | 119.9° |
| C05 | C06 | C07 | H22 | 41.7° | 60.0° |
| C05 | C06 | C07 | H23 | 76.8° | 60.0° |
| C03 | C02 | C01 | H12 | 120.6° | 119.9° |
| C03 | C02 | C01 | H13 | 120.6° | 120.0° |
| C02 | C03 | C04 | C05 | 143.6° | 180.0° |
| C02 | C03 | C04 | H14 | 120.6° | 120.0° |
| C02 | C03 | C04 | H15 | 120.7° | 120.0° |
| C03 | C02 | C01 | H9 | 180.0° | 60.0° |
| C03 | C02 | C01 | H10 | 60.0° | 180.0° |
| C03 | C02 | C01 | H11 | 60.0° | 60.0° |
| C03 | C02 | H12 | H13 | 118.3° | 120.0° |
| C02 | C03 | H14 | H15 | 117.9° | 120.1° |
| C02 | C03 | C04 | H16 | 23.0° | 60.0° |
| C02 | C03 | C04 | H17 | 95.8° | 60.0° |
| C01 | C02 | C03 | C04 | 42.6° | 180.0° |
| C02 | C01 | H9 | H10 | 120.0° | 119.9° |
| C02 | C01 | H9 | H11 | 120.0° | 120.1° |
| C02 | C01 | H10 | H11 | 120.0° | 120.1° |
| C01 | C02 | H12 | H13 | 118.2° | 120.1° |
| C01 | C02 | C03 | H14 | 163.3° | 60.1° |
| C01 | C02 | C03 | H15 | 78.0° | 60.0° |
| C05 | C04 | C03 | H16 | 120.6° | 120.0° |
| C05 | C04 | C03 | H17 | 120.6° | 120.0° |
| C05 | C04 | C03 | H14 | 22.9° | 60.0° |
| C05 | C04 | C03 | H15 | 95.8° | 60.0° |
| C05 | C04 | H16 | H17 | 118.1° | 120.1° |
| C04 | C05 | H18 | H19 | 118.6° | 120.0° |
| C04 | C05 | C06 | H20 | 171.9° | 60.0° |
| C04 | C05 | C06 | H21 | 53.0° | 60.0° |
| C04 | C03 | C02 | H12 | 163.2° | 60.1° |
| C04 | C03 | C02 | H13 | 77.9° | 60.0° |
| C04 | C03 | H14 | H15 | 118.0° | 120.0° |
| C03 | C04 | H16 | H17 | 118.1° | 120.0° |
| C03 | C04 | C05 | H18 | 165.5° | 60.0° |
| C03 | C04 | C05 | H19 | 46.4° | 60.0° |
| H1 | C10 | C09 | H26 | 69.8° | 59.9° |
| H1 | C10 | C09 | H27 | 49.1° | 180.0° |
| H1 | C10 | C11 | H28 | 160.3° | 180.0° |
| H1 | C10 | C11 | H29 | 41.6° | 59.9° |
| H2 | C10 | C09 | H26 | 171.6° | 180.0° |
| H2 | C10 | C09 | H27 | 69.5° | 60.0° |
| H2 | C10 | C11 | H28 | 81.1° | 60.0° |
| H2 | C10 | C11 | H29 | 160.2° | 179.9° |
| H3 | C15 | C14 | H34 | 177.2° | 60.0° |
| H3 | C15 | C14 | H35 | 58.0° | 180.0° |
| H4 | C15 | C14 | H34 | 64.0° | 180.0° |
| H4 | C15 | C14 | H35 | 176.8° | 60.1° |
| H5 | C19 | C20 | H36 | 177.4° | 65.1° |
| H6 | C19 | C20 | H36 | 57.2° | 175.0° |
| H7 | C28 | C27 | H8 | 179.4° | 179.9° |
| H7 | C28 | C29 | H39 | 179.7° | 179.9° |
| H7 | C28 | O37 | H48 | 60.8° | 60.0° |
| H8 | C27 | C32 | H42 | 56.2° | 60.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H9 | C01 | C02 | H12 | 59.4° | 180.0° |
| H9 | C01 | C02 | H13 | 59.5° | 60.0° |
| H10 | C01 | C02 | H12 | 179.4° | 60.1° |
| H10 | C01 | C02 | H13 | 60.6° | 60.0° |
| H11 | C01 | C02 | H12 | 60.6° | 59.9° |
| H11 | C01 | C02 | H13 | 179.5° | NaN° |
| H12 | C02 | C03 | H14 | 76.1° | 180.0° |
| H12 | C02 | C03 | H15 | 42.5° | 59.9° |
| H13 | C02 | C03 | H14 | 42.8° | 60.0° |
| H13 | C02 | C03 | H15 | 161.4° | 179.9° |
| H14 | C03 | C04 | H16 | 97.7° | 180.0° |
| H14 | C03 | C04 | H17 | 143.6° | 60.0° |
| H15 | C03 | C04 | H16 | 143.7° | 60.0° |
| H15 | C03 | C04 | H17 | 24.9° | 180.0° |
| H16 | C04 | C05 | H18 | 73.9° | 180.0° |
| H16 | C04 | C05 | H19 | 167.0° | 60.0° |
| H17 | C04 | C05 | H18 | 44.9° | 60.0° |
| H17 | C04 | C05 | H19 | 74.2° | 180.0° |
| H18 | C05 | C06 | H20 | 67.7° | 180.0° |
| H18 | C05 | C06 | H21 | 173.5° | 60.1° |
| H19 | C05 | C06 | H20 | 51.4° | 60.1° |
| H19 | C05 | C06 | H21 | 67.4° | 180.0° |
| H20 | C06 | C07 | H22 | 162.3° | 180.0° |
| H20 | C06 | C07 | H23 | 43.8° | 60.0° |
| H21 | C06 | C07 | H22 | 78.9° | 60.0° |
| H21 | C06 | C07 | H23 | 162.6° | 180.0° |
| H22 | C07 | C08 | H24 | 52.8° | 180.0° |
| H22 | C07 | C08 | H25 | 65.7° | 60.0° |
| H23 | C07 | C08 | H24 | 171.3° | 60.0° |
| H23 | C07 | C08 | H25 | 52.8° | 180.0° |
| H24 | C08 | C09 | H26 | 174.7° | 60.0° |
| H24 | C08 | C09 | H27 | 66.5° | 180.0° |
| H25 | C08 | C09 | H26 | 56.2° | 180.0° |
| H25 | C08 | C09 | H27 | 175.1° | 60.0° |
| H28 | C11 | C12 | H30 | 167.2° | 180.0° |
| H28 | C11 | C12 | H31 | 48.6° | 60.0° |
| H29 | C11 | C12 | H30 | 74.1° | 60.0° |
| H29 | C11 | C12 | H31 | 167.3° | 180.0° |
| H30 | C12 | C13 | H32 | 77.1° | 180.0° |
| H30 | C12 | C13 | H33 | 164.2° | 59.9° |
| H31 | C12 | C13 | H32 | 41.4° | 59.9° |
| H31 | C12 | C13 | H33 | 77.3° | 180.0° |
| H32 | C13 | C14 | H34 | 60.7° | 59.9° |
| H32 | C13 | C14 | H35 | 179.8° | 180.0° |
| H33 | C13 | C14 | H34 | 58.1° | 180.0° |
| H33 | C13 | C14 | H35 | 61.1° | 59.9° |
| H36 | C20 | C21 | H37 | 31.4° | 175.0° |
| H36 | C20 | C21 | H38 | 88.7° | 65.0° |
| H36 | C20 | O38 | H49 | 62.3° | 180.0° |
| H39 | C29 | C30 | H40 | 180.0° | 180.0° |
| H39 | C29 | O36 | H47 | 61.1° | 60.0° |
| H40 | C30 | C31 | H41 | 179.9° | 180.0° |
| H40 | C30 | O35 | H46 | 61.0° | 60.0° |
| H41 | C31 | C32 | H42 | 57.3° | 60.0° |
| H41 | C31 | O34 | H45 | 61.2° | 60.0° |
| H42 | C32 | O33 | H44 | 60.8° | 60.0° |
