A1JBS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | P | doub | 1.48Å | 1.54Å | |
| O61 | C61 | sing | 1.43Å | 1.44Å | |
| O22 | P | sing | 1.61Å | 1.50Å | |
| C71 | C61 | sing | 1.53Å | 1.55Å | |
| C71 | O71 | sing | 1.43Å | 1.43Å | |
| C61 | C51 | sing | 1.53Å | 1.52Å | |
| P | O41 | sing | 1.61Å | 1.54Å | |
| P | O42 | sing | 1.61Å | 1.57Å | |
| O41 | C41 | sing | 1.43Å | 1.41Å | |
| C51 | C41 | sing | 1.53Å | 1.53Å | |
| C51 | O51 | sing | 1.43Å | 1.45Å | |
| C41 | C31 | sing | 1.53Å | 1.51Å | |
| O51 | C11 | sing | 1.43Å | 1.43Å | |
| O21 | C21 | sing | 1.43Å | 1.43Å | |
| C31 | O31 | sing | 1.43Å | 1.43Å | |
| C31 | C21 | sing | 1.53Å | 1.53Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C11 | C21 | sing | 1.53Å | 1.52Å | |
| C11 | O3 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| O3 | C3 | sing | 1.43Å | 1.34Å | |
| O1 | C72 | sing | 1.43Å | 1.44Å | |
| C72 | C62 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C62 | C52 | sing | 1.51Å | 1.51Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C8 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C9 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C42 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | O7 | sing | 1.43Å | 1.45Å | |
| C22 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | N1 | sing | 1.40Å | 1.42Å | |
| F1 | C10 | sing | 1.40Å | 1.34Å | |
| O12 | C12 | doub | 1.21Å | 1.22Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å | |
| C12 | C10 | sing | 1.51Å | 1.55Å | |
| C10 | F2 | sing | 1.40Å | 1.34Å | |
| C10 | F3 | sing | 1.40Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| O7 | H15 | sing | 0.97Å | 0.95Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.09Å | 1.10Å | |
| C51 | H18 | sing | 1.09Å | 1.10Å | |
| C61 | H19 | sing | 1.09Å | 1.10Å | |
| C71 | H20 | sing | 1.09Å | 1.10Å | |
| C71 | H21 | sing | 1.09Å | 1.10Å | |
| O21 | H22 | sing | 0.97Å | 0.95Å | |
| O31 | H23 | sing | 0.97Å | 0.95Å | |
| O61 | H24 | sing | 0.97Å | 0.95Å | |
| O71 | H25 | sing | 0.97Å | 0.95Å | |
| O22 | H26 | sing | 0.97Å | 0.95Å | |
| O42 | H27 | sing | 0.97Å | 0.95Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C42 | H30 | sing | 1.08Å | 1.08Å | |
| C62 | H31 | sing | 1.09Å | 1.10Å | |
| C62 | H32 | sing | 1.09Å | 1.10Å | |
| C72 | H33 | sing | 1.09Å | 1.10Å | |
| C72 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | P | O22 | 113.1° | 109.4° |
| O11 | P | O41 | 109.8° | 109.5° |
| O11 | P | O42 | 108.7° | 109.5° |
| O61 | C61 | C71 | 110.6° | 109.5° |
| O61 | C61 | C51 | 108.8° | 109.5° |
| O61 | C61 | H19 | 110.4° | 109.5° |
| C61 | O61 | H24 | 109.5° | 114.0° |
| O22 | P | O41 | 111.4° | 109.5° |
| O22 | P | O42 | 110.7° | 109.5° |
| P | O22 | H26 | 109.5° | 114.0° |
| C61 | C71 | O71 | 112.5° | 109.4° |
| C71 | C61 | C51 | 108.7° | 109.5° |
| C71 | C61 | H19 | 108.9° | 109.5° |
| C61 | C71 | H20 | 108.7° | 109.5° |
| C61 | C71 | H21 | 108.7° | 109.5° |
| O71 | C71 | H20 | 108.7° | 109.4° |
| O71 | C71 | H21 | 108.7° | 109.5° |
| C71 | O71 | H25 | 109.5° | 114.0° |
| C61 | C51 | C41 | 114.2° | 109.5° |
| C61 | C51 | O51 | 107.9° | 109.5° |
| C61 | C51 | H18 | 107.8° | 109.5° |
| C51 | C61 | H19 | 109.3° | 109.5° |
| O41 | P | O42 | 102.6° | 109.5° |
| P | O41 | C41 | 130.5° | 123.0° |
| P | O42 | H27 | 109.5° | 114.0° |
| O41 | C41 | C51 | 116.6° | 109.5° |
| O41 | C41 | C31 | 107.8° | 109.5° |
| O41 | C41 | H17 | 108.5° | 109.5° |
| C41 | C51 | O51 | 110.7° | 109.4° |
| C51 | C41 | C31 | 109.5° | 109.2° |
| C51 | C41 | H17 | 106.9° | 109.5° |
| C41 | C51 | H18 | 107.5° | 109.5° |
| C51 | O51 | C11 | 115.0° | 114.1° |
| O51 | C51 | H18 | 108.6° | 109.5° |
| C41 | C31 | O31 | 108.2° | 109.6° |
| C41 | C31 | C21 | 110.1° | 109.0° |
| C41 | C31 | H16 | 109.9° | 109.6° |
| C31 | C41 | H17 | 107.2° | 109.5° |
| O51 | C11 | C21 | 109.8° | 109.4° |
| O51 | C11 | O3 | 112.9° | 109.5° |
| O51 | C11 | H10 | 109.4° | 109.5° |
| O21 | C21 | C31 | 110.2° | 109.5° |
| O21 | C21 | C11 | 105.0° | 109.5° |
| O21 | C21 | H11 | 110.5° | 109.5° |
| C21 | O21 | H22 | 109.5° | 114.0° |
| O31 | C31 | C21 | 107.7° | 109.5° |
| O31 | C31 | H16 | 111.1° | 109.5° |
| C31 | O31 | H23 | 109.5° | 114.0° |
| C31 | C21 | C11 | 112.7° | 109.2° |
| C31 | C21 | H11 | 109.1° | 109.6° |
| C21 | C31 | H16 | 109.7° | 109.5° |
| O2 | C2 | C1 | 108.3° | 109.5° |
| O2 | C2 | C3 | 113.1° | 109.5° |
| O2 | C2 | H2 | 109.6° | 109.6° |
| C2 | O2 | H13 | 109.5° | 114.0° |
| C21 | C11 | O3 | 107.3° | 109.5° |
| C21 | C11 | H10 | 108.2° | 109.5° |
| C11 | C21 | H11 | 109.2° | 109.5° |
| C11 | O3 | C3 | 117.5° | 114.0° |
| O3 | C11 | H10 | 109.1° | 109.4° |
| C1 | C2 | C3 | 109.1° | 109.1° |
| C2 | C1 | O1 | 105.0° | 109.5° |
| C2 | C1 | O5 | 109.5° | 109.4° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C2 | C3 | O3 | 110.5° | 109.5° |
| C2 | C3 | C4 | 109.0° | 109.0° |
| C3 | C2 | H2 | 108.4° | 109.6° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| O1 | C1 | O5 | 113.7° | 109.5° |
| C1 | O1 | C72 | 114.4° | 114.0° |
| O1 | C1 | H1 | 110.4° | 109.5° |
| C1 | O5 | C5 | 113.4° | 114.1° |
| O5 | C1 | H1 | 109.5° | 109.5° |
| O3 | C3 | C4 | 108.2° | 109.6° |
| O3 | C3 | H3 | 111.5° | 109.6° |
| O1 | C72 | C62 | 110.8° | 109.5° |
| O1 | C72 | H33 | 109.1° | 109.5° |
| O1 | C72 | H34 | 109.2° | 109.5° |
| C72 | C62 | C52 | 113.0° | 109.5° |
| C72 | C62 | H31 | 108.6° | 109.4° |
| C72 | C62 | H32 | 108.6° | 109.4° |
| C62 | C72 | H33 | 109.1° | 109.4° |
| C62 | C72 | H34 | 109.1° | 109.5° |
| C3 | C4 | C5 | 111.9° | 109.2° |
| C3 | C4 | O4 | 111.6° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C3 | C4 | H4 | 107.7° | 109.5° |
| C62 | C52 | C8 | 120.1° | 119.9° |
| C62 | C52 | C42 | 121.8° | 119.9° |
| C52 | C62 | H31 | 108.6° | 109.5° |
| C52 | C62 | H32 | 108.6° | 109.5° |
| O5 | C5 | C4 | 108.9° | 109.4° |
| O5 | C5 | C6 | 106.4° | 109.5° |
| O5 | C5 | H5 | 111.0° | 109.5° |
| C5 | C4 | O4 | 108.5° | 109.5° |
| C4 | C5 | C6 | 110.7° | 109.5° |
| C5 | C4 | H4 | 107.9° | 109.6° |
| C4 | C5 | H5 | 109.9° | 109.5° |
| O4 | C4 | H4 | 109.0° | 109.5° |
| C4 | O4 | H14 | 109.5° | 114.0° |
| C52 | C8 | C9 | 121.2° | 120.0° |
| C8 | C52 | C42 | 118.1° | 120.1° |
| C52 | C8 | H35 | 119.4° | 120.0° |
| C8 | C9 | C22 | 120.2° | 119.9° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C9 | C8 | H35 | 119.4° | 120.0° |
| C52 | C42 | C32 | 121.7° | 120.1° |
| C52 | C42 | H30 | 119.1° | 119.9° |
| C5 | C6 | O6 | 113.6° | 109.5° |
| C5 | C6 | C7 | 108.1° | 109.5° |
| C6 | C5 | H5 | 109.9° | 109.5° |
| C5 | C6 | H12 | 108.3° | 109.5° |
| C9 | C22 | C32 | 119.4° | 119.8° |
| C9 | C22 | N1 | 118.6° | 120.1° |
| C22 | C9 | H9 | 119.9° | 120.1° |
| O6 | C6 | C7 | 109.0° | 109.4° |
| C6 | O6 | H6 | 109.5° | 114.0° |
| O6 | C6 | H12 | 109.4° | 109.5° |
| C42 | C32 | C22 | 119.6° | 119.9° |
| C42 | C32 | H29 | 120.2° | 120.1° |
| C32 | C42 | H30 | 119.2° | 120.0° |
| C6 | C7 | O7 | 114.1° | 109.5° |
| C6 | C7 | H7 | 108.3° | 109.5° |
| C6 | C7 | H8 | 108.3° | 109.5° |
| C7 | C6 | H12 | 108.3° | 109.4° |
| O7 | C7 | H7 | 108.3° | 109.4° |
| O7 | C7 | H8 | 108.3° | 109.4° |
| C7 | O7 | H15 | 109.5° | 114.0° |
| C32 | C22 | N1 | 122.0° | 120.1° |
| C22 | C32 | H29 | 120.2° | 120.0° |
| C22 | N1 | C12 | 126.5° | 120.0° |
| C22 | N1 | H28 | 116.7° | 120.0° |
| F1 | C10 | C12 | 111.1° | 109.5° |
| F1 | C10 | F2 | 107.0° | 109.5° |
| F1 | C10 | F3 | 107.1° | 109.5° |
| O12 | C12 | N1 | 126.6° | 120.0° |
| O12 | C12 | C10 | 118.0° | 120.0° |
| N1 | C12 | C10 | 115.4° | 120.0° |
| C12 | N1 | H28 | 116.7° | 120.0° |
| C12 | C10 | F2 | 114.1° | 109.5° |
| C12 | C10 | F3 | 111.3° | 109.5° |
| F2 | C10 | F3 | 105.8° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H20 | C71 | H21 | 109.5° | 109.5° |
| H31 | C62 | H32 | 109.5° | 109.5° |
| H33 | C72 | H34 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | P | O22 | O41 | 124.2° | 120.0° |
| O11 | P | O22 | O42 | 122.3° | 120.0° |
| O11 | P | O41 | O42 | 115.5° | 120.0° |
| O11 | P | O41 | C41 | 38.6° | 55.0° |
| O11 | P | O22 | H26 | 0.0° | 180.0° |
| O11 | P | O42 | H27 | 0.0° | 60.0° |
| O61 | C61 | C71 | C51 | 119.4° | 120.0° |
| O61 | C61 | C71 | H19 | 121.5° | 120.0° |
| O61 | C61 | C71 | O71 | 177.2° | 65.0° |
| O61 | C61 | C51 | H19 | 120.7° | 120.0° |
| O61 | C61 | C51 | C41 | 62.9° | 55.0° |
| O61 | C61 | C51 | O51 | 60.7° | 64.9° |
| O61 | C61 | C51 | H18 | 177.7° | 175.0° |
| O61 | C61 | C71 | H20 | 56.8° | 55.0° |
| O61 | C61 | C71 | H21 | 62.3° | 175.0° |
| O22 | P | O41 | O42 | 118.5° | 120.0° |
| O22 | P | O41 | C41 | 164.6° | 65.0° |
| O22 | P | O42 | H27 | 124.8° | 60.0° |
| C61 | C71 | O71 | H20 | 120.5° | 120.0° |
| C61 | C71 | O71 | H21 | 120.5° | 120.0° |
| C71 | C61 | C51 | H19 | 118.8° | 120.0° |
| C71 | C61 | C51 | C41 | 176.6° | 175.0° |
| C71 | C61 | C51 | O51 | 59.9° | 55.1° |
| C71 | C61 | C51 | H18 | 57.2° | 65.0° |
| C61 | C71 | H20 | H21 | 118.6° | 120.0° |
| C71 | C61 | O61 | H24 | 180.0° | 60.0° |
| C61 | C71 | O71 | H25 | 180.0° | 180.0° |
| O71 | C71 | C61 | C51 | 63.3° | 175.0° |
| O71 | C71 | C61 | H19 | 55.7° | 55.0° |
| O71 | C71 | H20 | H21 | 118.6° | 120.0° |
| C61 | C51 | C41 | O41 | 58.9° | 62.5° |
| C61 | C51 | C41 | O51 | 122.0° | 120.0° |
| C61 | C51 | C41 | H18 | 119.5° | 120.1° |
| C61 | C51 | O51 | H18 | 116.5° | 120.1° |
| C61 | C51 | C41 | C31 | 178.5° | 177.6° |
| C61 | C51 | O51 | C11 | 175.8° | 178.9° |
| C61 | C51 | C41 | H17 | 62.6° | 57.6° |
| C51 | C61 | C71 | H20 | 176.2° | 65.0° |
| C51 | C61 | C71 | H21 | 57.1° | 55.0° |
| C51 | C61 | O61 | H24 | 60.7° | 60.0° |
| P | O41 | C41 | C51 | 131.9° | 120.3° |
| P | O41 | C41 | C31 | 104.6° | 120.0° |
| P | O41 | C41 | H17 | 11.2° | 0.1° |
| O41 | P | O22 | H26 | 124.2° | 60.0° |
| O41 | P | O42 | H27 | 116.3° | 180.0° |
| O42 | P | O41 | C41 | 76.9° | 175.0° |
| O42 | P | O22 | H26 | 122.3° | 60.0° |
| O41 | C41 | C51 | C31 | 122.7° | 119.9° |
| O41 | C41 | C51 | H17 | 121.5° | 120.1° |
| O41 | C41 | C51 | O51 | 179.1° | 177.6° |
| O41 | C41 | C31 | H17 | 116.6° | 120.1° |
| O41 | C41 | C31 | O31 | 60.3° | 63.2° |
| O41 | C41 | C31 | C21 | 177.8° | 176.9° |
| O41 | C41 | C31 | H16 | 61.2° | 57.0° |
| O41 | C41 | C51 | H18 | 60.7° | 57.6° |
| C41 | C51 | O51 | H18 | 117.8° | 119.9° |
| C51 | C41 | C31 | H17 | 115.6° | 120.0° |
| C41 | C51 | O51 | C11 | 58.5° | 61.2° |
| C51 | C41 | C31 | O31 | 171.9° | 176.9° |
| C51 | C41 | C31 | C21 | 54.5° | 57.0° |
| C51 | C41 | C31 | H16 | 66.5° | 62.9° |
| C41 | C51 | C61 | H19 | 57.8° | 65.0° |
| O51 | C51 | C41 | C31 | 56.4° | 57.6° |
| C51 | O51 | C11 | C21 | 55.5° | 61.2° |
| C51 | O51 | C11 | O3 | 64.2° | 58.8° |
| C51 | O51 | C11 | H10 | 174.1° | 178.8° |
| O51 | C51 | C41 | H17 | 59.4° | 62.3° |
| O51 | C51 | C61 | H19 | 178.6° | 175.0° |
| C41 | C31 | C21 | O21 | 63.2° | 63.0° |
| C41 | C31 | O31 | C21 | 119.0° | 119.6° |
| C41 | C31 | O31 | H16 | 120.8° | 120.3° |
| C41 | C31 | C21 | H16 | 121.1° | 119.9° |
| C41 | C31 | C21 | C11 | 53.8° | 56.9° |
| C41 | C31 | C21 | H11 | 175.3° | 176.9° |
| C31 | C41 | C51 | H18 | 62.0° | 62.3° |
| C41 | C31 | O31 | H23 | 180.0° | 179.5° |
| O51 | C11 | C21 | O21 | 67.5° | 62.3° |
| O51 | C11 | C21 | C31 | 52.5° | 57.6° |
| O51 | C11 | C21 | O3 | 123.1° | 120.0° |
| O51 | C11 | C21 | H10 | 119.3° | 120.0° |
| O51 | C11 | O3 | H10 | 121.9° | 120.0° |
| O51 | C11 | O3 | C3 | 87.8° | 70.1° |
| O51 | C11 | C21 | H11 | 173.9° | 177.5° |
| C11 | O51 | C51 | H18 | 59.3° | 58.8° |
| O21 | C21 | C31 | O31 | 54.6° | 56.9° |
| O21 | C21 | C31 | C11 | 117.0° | 119.9° |
| O21 | C21 | C31 | H11 | 121.5° | 120.2° |
| O21 | C21 | C11 | H11 | 118.6° | 120.1° |
| O21 | C21 | C11 | O3 | 169.4° | 177.6° |
| O21 | C21 | C11 | H10 | 51.8° | 57.7° |
| O21 | C21 | C31 | H16 | 175.7° | 177.1° |
| O31 | C31 | C21 | H16 | 121.1° | 120.2° |
| O31 | C31 | C21 | C11 | 171.6° | 176.8° |
| O31 | C31 | C21 | H11 | 66.9° | 63.3° |
| O31 | C31 | C41 | H17 | 56.3° | 56.9° |
| C31 | C21 | C11 | H11 | 121.4° | 120.0° |
| C31 | C21 | C11 | O3 | 70.6° | 62.4° |
| C31 | C21 | C11 | H10 | 171.8° | 177.6° |
| C21 | C31 | C41 | H17 | 61.1° | 63.0° |
| C31 | C21 | O21 | H22 | 180.0° | 179.7° |
| C21 | C31 | O31 | H23 | 61.0° | 60.0° |
| O2 | C2 | C1 | C3 | 123.4° | 119.9° |
| O2 | C2 | C1 | H2 | 118.7° | 120.2° |
| O2 | C2 | C3 | H2 | 121.7° | 120.2° |
| O2 | C2 | C1 | O1 | 171.9° | 177.7° |
| O2 | C2 | C1 | O5 | 65.7° | 62.3° |
| O2 | C2 | C3 | O3 | 53.9° | 57.0° |
| O2 | C2 | C3 | C4 | 64.8° | 62.9° |
| O2 | C2 | C1 | H1 | 53.9° | 57.7° |
| O2 | C2 | C3 | H3 | 176.6° | 177.2° |
| C21 | C11 | O3 | H10 | 117.0° | 120.0° |
| C21 | C11 | O3 | C3 | 151.0° | 170.0° |
| C11 | C21 | C31 | H16 | 67.3° | 63.0° |
| C11 | C21 | O21 | H22 | 58.3° | 60.0° |
| C11 | O3 | C3 | C2 | 88.4° | 90.0° |
| C11 | O3 | C3 | C4 | 152.3° | 150.5° |
| C11 | O3 | C3 | H3 | 32.7° | 30.2° |
| O3 | C11 | C21 | H11 | 50.9° | 57.5° |
| C1 | C2 | C3 | H2 | 117.7° | 119.9° |
| C2 | C1 | O1 | O5 | 119.6° | 120.0° |
| C2 | C1 | O1 | H1 | 116.8° | 120.0° |
| C2 | C1 | O5 | H1 | 118.9° | 119.9° |
| C1 | C2 | C3 | O3 | 174.4° | 176.8° |
| C2 | C1 | O1 | C72 | 164.8° | 170.1° |
| C1 | C2 | C3 | C4 | 55.7° | 57.0° |
| C2 | C1 | O5 | C5 | 61.3° | 61.2° |
| C1 | C2 | C3 | H3 | 62.8° | 62.9° |
| C1 | C2 | O2 | H13 | 180.0° | 60.1° |
| C3 | C2 | C1 | O1 | 64.6° | 62.4° |
| C3 | C2 | C1 | O5 | 57.8° | 57.6° |
| C2 | C3 | O3 | C4 | 119.3° | 119.5° |
| C2 | C3 | O3 | H3 | 121.1° | 120.2° |
| C2 | C3 | C4 | H3 | 118.5° | 119.9° |
| C2 | C3 | C4 | C5 | 56.2° | 57.0° |
| C2 | C3 | C4 | O4 | 178.2° | 176.9° |
| C3 | C2 | C1 | H1 | 177.3° | 177.6° |
| C2 | C3 | C4 | H4 | 62.2° | 63.0° |
| C3 | C2 | O2 | H13 | 59.0° | 179.7° |
| O1 | C1 | O5 | H1 | 124.0° | 120.0° |
| C1 | O1 | C72 | C62 | 161.4° | 180.0° |
| O1 | C1 | O5 | C5 | 55.8° | 58.8° |
| O1 | C1 | C2 | H2 | 53.2° | 57.6° |
| C1 | O1 | C72 | H33 | 41.2° | 60.0° |
| C1 | O1 | C72 | H34 | 78.4° | 60.0° |
| O5 | C1 | O1 | C72 | 75.5° | 70.0° |
| C1 | O5 | C5 | C4 | 59.8° | 61.2° |
| C1 | O5 | C5 | C6 | 179.2° | 178.9° |
| O5 | C1 | C2 | H2 | 175.6° | 177.6° |
| C1 | O5 | C5 | H5 | 61.3° | 58.8° |
| O3 | C3 | C4 | H3 | 121.3° | 120.3° |
| O3 | C3 | C4 | C5 | 176.5° | 176.8° |
| O3 | C3 | C4 | O4 | 61.6° | 63.3° |
| O3 | C3 | C2 | H2 | 67.8° | 63.2° |
| O3 | C3 | C4 | H4 | 58.0° | 56.9° |
| C3 | O3 | C11 | H10 | 34.0° | 50.0° |
| O1 | C72 | C62 | H33 | 120.2° | 120.0° |
| O1 | C72 | C62 | H34 | 120.2° | 120.0° |
| O1 | C72 | C62 | C52 | 52.5° | 180.0° |
| C72 | O1 | C1 | H1 | 48.0° | 50.1° |
| O1 | C72 | C62 | H31 | 173.0° | 60.0° |
| O1 | C72 | C62 | H32 | 68.0° | 60.0° |
| O1 | C72 | H33 | H34 | 119.4° | 120.0° |
| C72 | C62 | C52 | H31 | 120.5° | 119.9° |
| C72 | C62 | C52 | H32 | 120.5° | 120.0° |
| C72 | C62 | C52 | C8 | 94.7° | 89.9° |
| C72 | C62 | C52 | C42 | 83.1° | 90.0° |
| C72 | C62 | H31 | H32 | 118.4° | 120.0° |
| C62 | C72 | H33 | H34 | 119.4° | 120.0° |
| C3 | C4 | C5 | O5 | 56.9° | 57.6° |
| C3 | C4 | C5 | O4 | 123.7° | 119.9° |
| C3 | C4 | C5 | H4 | 118.3° | 119.9° |
| C3 | C4 | O4 | H4 | 118.9° | 120.1° |
| C3 | C4 | C5 | C6 | 173.6° | 177.6° |
| C4 | C3 | C2 | H2 | 173.4° | 176.9° |
| C3 | C4 | C5 | H5 | 64.9° | 62.4° |
| C3 | C4 | O4 | H14 | 180.0° | 180.0° |
| C62 | C52 | C8 | C42 | 177.9° | 180.0° |
| C62 | C52 | C8 | C9 | 178.0° | 179.7° |
| C62 | C52 | C42 | C32 | 178.3° | 180.0° |
| C62 | C52 | C42 | H30 | 1.7° | 0.0° |
| C52 | C62 | H31 | H32 | 118.4° | 120.1° |
| C52 | C62 | C72 | H33 | 67.7° | 60.0° |
| C52 | C62 | C72 | H34 | 172.7° | 60.0° |
| C62 | C52 | C8 | H35 | 2.0° | 0.0° |
| O5 | C5 | C4 | C6 | 116.6° | 120.0° |
| O5 | C5 | C4 | H5 | 121.8° | 120.0° |
| O5 | C5 | C4 | O4 | 179.4° | 177.5° |
| O5 | C5 | C6 | H5 | 120.2° | 120.1° |
| O5 | C5 | C6 | O6 | 52.6° | 64.9° |
| O5 | C5 | C6 | C7 | 68.5° | 55.1° |
| C5 | O5 | C1 | H1 | 179.8° | 178.8° |
| O5 | C5 | C4 | H4 | 61.4° | 62.3° |
| O5 | C5 | C6 | H12 | 174.4° | 175.1° |
| C5 | C4 | O4 | H4 | 117.2° | 120.2° |
| C4 | C5 | C6 | H5 | 121.6° | 120.0° |
| C4 | C5 | C6 | O6 | 65.6° | 55.0° |
| C4 | C5 | C6 | C7 | 173.3° | 175.0° |
| C5 | C4 | C3 | H3 | 62.2° | 62.9° |
| C4 | C5 | C6 | H12 | 56.2° | 65.0° |
| C5 | C4 | O4 | H14 | 56.1° | 60.3° |
| O4 | C4 | C5 | C6 | 62.8° | 62.5° |
| O4 | C4 | C3 | H3 | 59.7° | 57.1° |
| O4 | C4 | C5 | H5 | 58.8° | 57.6° |
| C52 | C8 | C9 | H35 | 180.0° | 179.7° |
| C52 | C8 | C9 | C22 | 0.2° | 0.5° |
| C8 | C52 | C42 | C32 | 0.5° | 0.0° |
| C52 | C8 | C9 | H9 | 179.8° | 180.0° |
| C8 | C52 | C42 | H30 | 179.5° | 180.0° |
| C8 | C52 | C62 | H31 | 144.8° | 30.0° |
| C8 | C52 | C62 | H32 | 25.9° | 150.1° |
| C9 | C8 | C52 | C42 | 0.2° | 0.3° |
| C8 | C9 | C22 | H9 | 180.0° | 179.5° |
| C8 | C9 | C22 | C32 | 0.5° | 0.5° |
| C8 | C9 | C22 | N1 | 179.5° | 179.7° |
| C52 | C42 | C32 | H30 | 180.0° | 180.0° |
| C52 | C42 | C32 | C22 | 0.8° | 0.0° |
| C52 | C42 | C32 | H29 | 179.3° | 180.0° |
| C42 | C52 | C62 | H31 | 37.4° | 150.0° |
| C42 | C52 | C62 | H32 | 156.4° | 29.9° |
| C42 | C52 | C8 | H35 | 179.8° | 180.0° |
| C5 | C6 | O6 | C7 | 120.6° | 120.0° |
| C5 | C6 | O6 | H12 | 121.2° | 120.1° |
| C5 | C6 | C7 | H12 | 117.1° | 120.1° |
| C5 | C6 | C7 | O7 | 165.4° | 175.0° |
| C6 | C5 | C4 | H4 | 55.2° | 57.7° |
| C5 | C6 | O6 | H6 | 180.0° | 59.9° |
| C5 | C6 | C7 | H7 | 44.7° | 65.0° |
| C5 | C6 | C7 | H8 | 74.0° | 55.0° |
| C9 | C22 | C32 | C42 | 0.8° | 0.2° |
| C9 | C22 | C32 | N1 | 179.0° | 179.8° |
| C9 | C22 | N1 | C12 | 5.6° | 145.2° |
| C9 | C22 | N1 | H28 | 174.4° | 34.8° |
| C9 | C22 | C32 | H29 | 179.3° | 179.7° |
| C22 | C9 | C8 | H35 | 179.8° | 179.7° |
| O6 | C6 | C7 | H12 | 118.9° | 119.9° |
| O6 | C6 | C7 | O7 | 41.4° | 65.0° |
| O6 | C6 | C5 | H5 | 172.8° | 175.1° |
| O6 | C6 | C7 | H7 | 79.2° | 55.0° |
| O6 | C6 | C7 | H8 | 162.1° | 175.0° |
| C42 | C32 | C22 | H29 | 180.0° | 180.0° |
| C42 | C32 | C22 | N1 | 179.8° | 180.0° |
| C6 | C7 | O7 | H7 | 120.7° | 120.1° |
| C6 | C7 | O7 | H8 | 120.7° | 120.0° |
| C7 | C6 | C5 | H5 | 51.7° | 65.0° |
| C7 | C6 | O6 | H6 | 59.4° | 60.0° |
| C6 | C7 | H7 | H8 | 117.9° | 120.0° |
| C6 | C7 | O7 | H15 | 180.0° | 180.0° |
| O7 | C7 | H7 | H8 | 117.9° | 119.9° |
| O7 | C7 | C6 | H12 | 77.5° | 54.9° |
| C32 | C22 | N1 | C12 | 173.5° | 35.0° |
| C32 | C22 | C9 | H9 | 179.5° | 180.0° |
| C32 | C22 | N1 | H28 | 6.5° | 144.9° |
| C22 | C32 | C42 | H30 | 179.2° | 179.9° |
| C22 | N1 | C12 | O12 | 85.3° | 4.6° |
| C22 | N1 | C12 | H28 | 180.0° | 180.0° |
| C22 | N1 | C12 | C10 | 93.8° | 175.4° |
| N1 | C22 | C9 | H9 | 0.5° | 0.2° |
| N1 | C22 | C32 | H29 | 0.2° | 0.1° |
| F1 | C10 | C12 | O12 | 56.9° | 120.0° |
| F1 | C10 | C12 | N1 | 122.2° | 60.0° |
| F1 | C10 | C12 | F2 | 121.1° | 120.0° |
| F1 | C10 | C12 | F3 | 119.3° | 120.0° |
| F1 | C10 | F2 | F3 | 114.0° | 120.0° |
| O12 | C12 | N1 | C10 | 179.0° | 180.0° |
| O12 | C12 | C10 | F2 | 178.0° | 0.0° |
| O12 | C12 | C10 | F3 | 62.4° | 120.0° |
| O12 | C12 | N1 | H28 | 94.7° | 175.4° |
| N1 | C12 | C10 | F2 | 1.1° | 180.0° |
| N1 | C12 | C10 | F3 | 118.5° | 60.0° |
| C12 | C10 | F2 | F3 | 122.7° | 120.0° |
| C10 | C12 | N1 | H28 | 86.2° | 4.6° |
| H1 | C1 | C2 | H2 | 64.9° | 62.5° |
| H2 | C2 | C3 | H3 | 54.9° | 57.0° |
| H2 | C2 | O2 | H13 | 62.1° | 60.1° |
| H3 | C3 | C4 | H4 | 179.3° | 177.2° |
| H4 | C4 | C5 | H5 | 176.8° | 177.7° |
| H4 | C4 | O4 | H14 | 61.1° | 59.9° |
| H5 | C5 | C6 | H12 | 65.4° | 55.0° |
| H6 | O6 | C6 | H12 | 58.8° | 180.0° |
| H7 | C7 | C6 | H12 | 161.8° | 174.9° |
| H7 | C7 | O7 | H15 | 59.3° | 60.0° |
| H8 | C7 | C6 | H12 | 43.2° | 65.0° |
| H8 | C7 | O7 | H15 | 59.3° | 60.0° |
| H9 | C9 | C8 | H35 | 0.2° | 0.2° |
| H10 | C11 | C21 | H11 | 66.8° | 62.4° |
| H11 | C21 | C31 | H16 | 54.2° | 56.9° |
| H11 | C21 | O21 | H22 | 59.3° | 60.1° |
| H16 | C31 | C41 | H17 | 177.9° | 177.1° |
| H16 | C31 | O31 | H23 | 59.2° | 60.2° |
| H17 | C41 | C51 | H18 | 177.8° | 177.7° |
| H18 | C51 | C61 | H19 | 61.6° | 55.0° |
| H19 | C61 | C71 | H20 | 64.8° | 175.0° |
| H19 | C61 | C71 | H21 | 176.1° | 65.0° |
| H19 | C61 | O61 | H24 | 59.3° | 180.0° |
| H20 | C71 | O71 | H25 | 59.5° | 60.0° |
| H21 | C71 | O71 | H25 | 59.5° | 60.0° |
| H29 | C32 | C42 | H30 | 0.7° | 0.0° |
| H31 | C62 | C72 | H33 | 52.8° | NaN° |
| H31 | C62 | C72 | H34 | 66.8° | 60.0° |
| H32 | C62 | C72 | H33 | 171.8° | 60.0° |
| H32 | C62 | C72 | H34 | 52.2° | 180.0° |
