A1AT8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | P01 | sing | 1.61Å | 1.69Å | |
| O01 | C11 | sing | 1.43Å | 1.43Å | |
| P01 | O02 | sing | 1.61Å | 1.68Å | |
| P01 | O06 | sing | 1.61Å | 1.52Å | |
| P01 | O07 | doub | 1.48Å | 1.51Å | |
| O02 | P02 | sing | 1.61Å | 1.69Å | |
| P02 | O03 | sing | 1.61Å | 1.67Å | |
| P02 | O04 | doub | 1.48Å | 1.51Å | |
| P02 | O05 | sing | 1.61Å | 1.51Å | |
| O03 | C01 | sing | 1.43Å | 1.42Å | |
| C01 | C02 | sing | 1.53Å | 1.48Å | |
| C02 | O08 | sing | 1.44Å | 1.54Å | |
| C02 | C05 | sing | 1.54Å | 1.47Å | |
| O08 | C03 | sing | 1.44Å | 1.56Å | |
| C03 | C04 | sing | 1.55Å | 1.44Å | |
| C03 | N01 | sing | 1.47Å | 1.44Å | |
| C04 | C05 | sing | 1.55Å | 1.46Å | |
| C04 | O09 | sing | 1.43Å | 1.45Å | |
| C05 | O10 | sing | 1.43Å | 1.47Å | |
| O10 | P03 | sing | 1.61Å | 1.67Å | |
| P03 | O11 | doub | 1.48Å | 1.51Å | |
| P03 | O12 | sing | 1.61Å | 1.51Å | |
| P03 | O13 | sing | 1.61Å | 1.52Å | |
| N01 | C06 | sing | 1.36Å | 1.43Å | Aromatic |
| N01 | C08 | sing | 1.37Å | 1.39Å | Aromatic |
| C06 | N02 | doub | 1.30Å | 1.41Å | Aromatic |
| N02 | C07 | sing | 1.35Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.41Å | 1.46Å | Aromatic |
| C07 | C09 | sing | 1.41Å | 1.43Å | Aromatic |
| C08 | N04 | sing | 1.33Å | 1.37Å | Aromatic |
| C09 | N03 | doub | 1.33Å | 1.26Å | Aromatic |
| C09 | N05 | sing | 1.38Å | 1.47Å | |
| N03 | C10 | sing | 1.32Å | 1.25Å | Aromatic |
| C10 | N04 | doub | 1.32Å | 1.29Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C12 | C13 | sing | 1.53Å | 1.58Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | C16 | sing | 1.51Å | 1.54Å | |
| C13 | O15 | sing | 1.43Å | 1.38Å | |
| C16 | N06 | sing | 1.35Å | 1.51Å | |
| C16 | O14 | doub | 1.21Å | 1.17Å | |
| N06 | C17 | sing | 1.47Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.58Å | |
| C19 | N07 | sing | 1.35Å | 1.46Å | |
| C19 | O16 | doub | 1.21Å | 1.19Å | |
| N07 | C20 | sing | 1.46Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| C21 | N08 | sing | 1.46Å | 1.47Å | |
| N08 | C22 | sing | 1.35Å | 1.49Å | |
| C22 | C23 | sing | 1.51Å | 1.57Å | |
| C22 | O17 | doub | 1.21Å | 1.19Å | |
| C23 | C24 | sing | 1.51Å | 1.57Å | |
| C24 | C25 | sing | 1.47Å | 1.58Å | |
| C24 | O18 | doub | 1.21Å | 1.18Å | |
| C25 | C26 | doub | 1.40Å | 1.34Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.55Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.56Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.32Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.56Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.34Å | Aromatic |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H05 | sing | 1.09Å | 1.10Å | |
| C01 | H06 | sing | 1.09Å | 1.10Å | |
| C01 | H07 | sing | 1.09Å | 1.10Å | |
| C02 | H01 | sing | 1.09Å | 1.10Å | |
| C03 | H02 | sing | 1.09Å | 1.10Å | |
| C04 | H03 | sing | 1.09Å | 1.10Å | |
| C05 | H04 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.08Å | 1.08Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| C28 | H41 | sing | 1.08Å | 1.08Å | |
| C29 | H42 | sing | 1.08Å | 1.08Å | |
| C30 | H43 | sing | 1.08Å | 1.08Å | |
| N05 | H15 | sing | 0.97Å | 1.00Å | |
| N05 | H16 | sing | 0.97Å | 1.00Å | |
| N06 | H25 | sing | 0.97Å | 1.00Å | |
| N07 | H31 | sing | 0.97Å | 1.00Å | |
| N08 | H36 | sing | 0.97Å | 1.00Å | |
| O05 | H1 | sing | 0.97Å | 0.95Å | |
| O06 | H2 | sing | 0.97Å | 0.95Å | |
| O09 | H10 | sing | 0.97Å | 0.95Å | |
| O12 | H3 | sing | 0.97Å | 0.95Å | |
| O13 | H4 | sing | 0.97Å | 0.95Å | |
| O15 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P01 | O01 | C11 | 120.6° | 123.0° |
| O01 | P01 | O02 | 111.0° | 109.5° |
| O01 | P01 | O06 | 108.9° | 109.5° |
| O01 | P01 | O07 | 110.0° | 109.5° |
| O01 | C11 | C12 | 110.1° | 109.4° |
| O01 | C11 | H17 | 109.3° | 109.5° |
| O01 | C11 | H18 | 109.3° | 109.5° |
| O02 | P01 | O06 | 108.5° | 109.5° |
| O02 | P01 | O07 | 109.5° | 109.5° |
| P01 | O02 | P02 | 124.8° | 134.0° |
| O06 | P01 | O07 | 108.8° | 109.4° |
| P01 | O06 | H2 | 109.5° | 114.0° |
| O02 | P02 | O03 | 109.9° | 109.4° |
| O02 | P02 | O04 | 108.8° | 109.5° |
| O02 | P02 | O05 | 109.7° | 109.5° |
| O03 | P02 | O04 | 110.7° | 109.5° |
| O03 | P02 | O05 | 109.3° | 109.5° |
| P02 | O03 | C01 | 120.6° | 123.0° |
| O04 | P02 | O05 | 108.5° | 109.5° |
| P02 | O05 | H1 | 109.5° | 114.0° |
| O03 | C01 | C02 | 110.5° | 109.5° |
| O03 | C01 | H06 | 109.2° | 109.4° |
| O03 | C01 | H07 | 109.2° | 109.5° |
| C01 | C02 | O08 | 111.8° | 109.9° |
| C01 | C02 | C05 | 110.8° | 109.9° |
| C02 | C01 | H06 | 109.2° | 109.5° |
| C02 | C01 | H07 | 109.2° | 109.5° |
| C01 | C02 | H01 | 109.4° | 109.9° |
| O08 | C02 | C05 | 106.6° | 107.3° |
| C02 | O08 | C03 | 103.4° | 107.0° |
| O08 | C02 | H01 | 108.6° | 109.9° |
| C02 | C05 | C04 | 106.8° | 104.2° |
| C02 | C05 | O10 | 108.6° | 110.5° |
| C05 | C02 | H01 | 109.6° | 110.0° |
| C02 | C05 | H04 | 110.4° | 110.5° |
| O08 | C03 | C04 | 106.1° | 103.5° |
| O08 | C03 | N01 | 106.6° | 110.6° |
| O08 | C03 | H02 | 108.3° | 110.7° |
| C04 | C03 | N01 | 115.8° | 110.6° |
| C03 | C04 | C05 | 106.5° | 102.1° |
| C03 | C04 | O09 | 109.6° | 110.9° |
| C04 | C03 | H02 | 109.8° | 110.6° |
| C03 | C04 | H03 | 110.3° | 110.9° |
| C03 | N01 | C06 | 124.1° | 126.3° |
| C03 | N01 | C08 | 126.7° | 126.3° |
| N01 | C03 | H02 | 109.9° | 110.5° |
| C05 | C04 | O09 | 110.1° | 110.9° |
| C04 | C05 | O10 | 110.1° | 110.5° |
| C05 | C04 | H03 | 110.0° | 110.9° |
| C04 | C05 | H04 | 110.5° | 110.5° |
| O09 | C04 | H03 | 110.2° | 110.8° |
| C04 | O09 | H10 | 109.5° | 114.0° |
| C05 | O10 | P03 | 119.7° | 123.0° |
| O10 | C05 | H04 | 110.4° | 110.6° |
| O10 | P03 | O11 | 110.7° | 109.5° |
| O10 | P03 | O12 | 109.4° | 109.5° |
| O10 | P03 | O13 | 108.8° | 109.5° |
| O11 | P03 | O12 | 109.3° | 109.4° |
| O11 | P03 | O13 | 109.1° | 109.5° |
| O12 | P03 | O13 | 109.6° | 109.5° |
| P03 | O12 | H3 | 109.5° | 114.0° |
| P03 | O13 | H4 | 109.5° | 114.0° |
| C06 | N01 | C08 | 109.2° | 107.5° |
| N01 | C06 | N02 | 108.7° | 110.0° |
| N01 | C06 | H13 | 125.6° | 125.0° |
| N01 | C08 | C07 | 105.7° | 106.0° |
| N01 | C08 | N04 | 137.9° | 135.0° |
| C06 | N02 | C07 | 106.6° | 109.5° |
| N02 | C06 | H13 | 125.7° | 125.1° |
| N02 | C07 | C08 | 109.9° | 107.1° |
| N02 | C07 | C09 | 133.6° | 134.8° |
| C08 | C07 | C09 | 116.6° | 118.1° |
| C07 | C08 | N04 | 116.4° | 119.1° |
| C07 | C09 | N03 | 119.8° | 118.5° |
| C07 | C09 | N05 | 118.7° | 120.7° |
| C08 | N04 | C10 | 117.4° | 120.7° |
| N03 | C09 | N05 | 121.5° | 120.8° |
| C09 | N03 | C10 | 120.8° | 121.2° |
| C09 | N05 | H15 | 109.5° | 120.0° |
| C09 | N05 | H16 | 109.5° | 120.0° |
| N03 | C10 | N04 | 129.1° | 122.5° |
| N03 | C10 | H14 | 115.5° | 118.8° |
| N04 | C10 | H14 | 115.5° | 118.8° |
| C11 | C12 | C13 | 108.7° | 109.5° |
| C11 | C12 | C14 | 108.3° | 109.5° |
| C11 | C12 | C15 | 109.3° | 109.5° |
| C12 | C11 | H17 | 109.3° | 109.5° |
| C12 | C11 | H18 | 109.3° | 109.5° |
| C13 | C12 | C14 | 110.0° | 109.5° |
| C13 | C12 | C15 | 112.5° | 109.5° |
| C12 | C13 | C16 | 113.2° | 109.4° |
| C12 | C13 | O15 | 110.8° | 109.5° |
| C12 | C13 | H05 | 107.3° | 109.5° |
| C14 | C12 | C15 | 108.0° | 109.4° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C12 | C14 | H21 | 109.5° | 109.5° |
| C12 | C14 | H20 | 109.4° | 109.4° |
| C12 | C15 | H24 | 109.5° | 109.4° |
| C12 | C15 | H22 | 109.5° | 109.5° |
| C12 | C15 | H23 | 109.5° | 109.5° |
| C16 | C13 | O15 | 107.7° | 109.5° |
| C13 | C16 | N06 | 121.3° | 120.0° |
| C13 | C16 | O14 | 117.6° | 120.0° |
| C16 | C13 | H05 | 107.8° | 109.5° |
| O15 | C13 | H05 | 109.9° | 109.5° |
| C13 | O15 | H26 | 109.5° | 114.0° |
| N06 | C16 | O14 | 121.1° | 120.0° |
| C16 | N06 | C17 | 122.5° | 120.0° |
| C16 | N06 | H25 | 118.7° | 120.0° |
| N06 | C17 | C18 | 108.5° | 109.5° |
| N06 | C17 | H28 | 109.7° | 109.5° |
| N06 | C17 | H27 | 109.7° | 109.4° |
| C17 | N06 | H25 | 118.7° | 120.0° |
| C17 | C18 | C19 | 112.1° | 109.5° |
| C18 | C17 | H28 | 109.7° | 109.5° |
| C18 | C17 | H27 | 109.7° | 109.5° |
| C17 | C18 | H30 | 108.8° | 109.4° |
| C17 | C18 | H29 | 108.8° | 109.4° |
| C18 | C19 | N07 | 121.4° | 120.0° |
| C18 | C19 | O16 | 119.8° | 120.0° |
| C19 | C18 | H30 | 108.8° | 109.5° |
| C19 | C18 | H29 | 108.8° | 109.5° |
| N07 | C19 | O16 | 118.9° | 120.0° |
| C19 | N07 | C20 | 120.1° | 120.0° |
| C19 | N07 | H31 | 119.9° | 120.0° |
| N07 | C20 | C21 | 110.4° | 109.5° |
| N07 | C20 | H33 | 109.2° | 109.5° |
| N07 | C20 | H32 | 109.3° | 109.5° |
| C20 | N07 | H31 | 120.0° | 120.0° |
| C20 | C21 | N08 | 111.4° | 109.5° |
| C21 | C20 | H33 | 109.3° | 109.5° |
| C21 | C20 | H32 | 109.2° | 109.4° |
| C20 | C21 | H35 | 109.0° | 109.4° |
| C20 | C21 | H34 | 109.0° | 109.5° |
| C21 | N08 | C22 | 123.4° | 120.0° |
| N08 | C21 | H35 | 109.0° | 109.5° |
| N08 | C21 | H34 | 109.0° | 109.5° |
| C21 | N08 | H36 | 118.3° | 120.0° |
| N08 | C22 | C23 | 122.8° | 120.0° |
| N08 | C22 | O17 | 117.7° | 120.0° |
| C22 | N08 | H36 | 118.3° | 120.0° |
| C23 | C22 | O17 | 119.4° | 119.9° |
| C22 | C23 | C24 | 112.8° | 109.5° |
| C22 | C23 | H37 | 108.6° | 109.5° |
| C22 | C23 | H38 | 108.7° | 109.5° |
| C23 | C24 | C25 | 121.1° | 120.1° |
| C23 | C24 | O18 | 120.0° | 120.0° |
| C24 | C23 | H37 | 108.7° | 109.5° |
| C24 | C23 | H38 | 108.6° | 109.5° |
| C25 | C24 | O18 | 118.8° | 120.0° |
| C24 | C25 | C26 | 122.1° | 120.2° |
| C24 | C25 | C30 | 119.2° | 120.1° |
| C26 | C25 | C30 | 118.7° | 119.7° |
| C25 | C26 | C27 | 120.4° | 119.8° |
| C25 | C26 | H39 | 119.8° | 120.1° |
| C25 | C30 | C29 | 120.9° | 119.8° |
| C25 | C30 | H43 | 119.5° | 120.1° |
| C26 | C27 | C28 | 120.3° | 120.2° |
| C27 | C26 | H39 | 119.8° | 120.1° |
| C26 | C27 | H40 | 119.8° | 119.9° |
| C27 | C28 | C29 | 119.6° | 120.4° |
| C28 | C27 | H40 | 119.8° | 119.9° |
| C27 | C28 | H41 | 120.1° | 119.8° |
| C28 | C29 | C30 | 120.0° | 120.1° |
| C29 | C28 | H41 | 120.2° | 119.8° |
| C28 | C29 | H42 | 120.0° | 120.0° |
| C30 | C29 | H42 | 120.0° | 119.9° |
| C29 | C30 | H43 | 119.6° | 120.1° |
| H19 | C14 | H21 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H21 | C14 | H20 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H06 | C01 | H07 | 109.5° | 109.5° |
| H24 | C15 | H22 | 109.5° | 109.5° |
| H24 | C15 | H23 | 109.4° | 109.4° |
| H22 | C15 | H23 | 109.4° | 109.5° |
| H28 | C17 | H27 | 109.5° | 109.6° |
| H30 | C18 | H29 | 109.5° | 109.5° |
| H33 | C20 | H32 | 109.5° | 109.5° |
| H35 | C21 | H34 | 109.5° | 109.5° |
| H37 | C23 | H38 | 109.4° | 109.4° |
| H15 | N05 | H16 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | P01 | O02 | O06 | 119.6° | 120.0° |
| O01 | P01 | O02 | O07 | 121.7° | 120.0° |
| O01 | P01 | O06 | O07 | 119.9° | 120.0° |
| O01 | P01 | O02 | P02 | 56.4° | 164.9° |
| P01 | O01 | C11 | C12 | 105.6° | 180.0° |
| P01 | O01 | C11 | H17 | 14.5° | 60.0° |
| P01 | O01 | C11 | H18 | 134.3° | 60.0° |
| O01 | P01 | O06 | H2 | 119.9° | 60.0° |
| C11 | O01 | P01 | O02 | 76.4° | 175.0° |
| C11 | O01 | P01 | O06 | 164.2° | 65.0° |
| C11 | O01 | P01 | O07 | 45.0° | 55.0° |
| O01 | C11 | C12 | H17 | 120.1° | 120.0° |
| O01 | C11 | C12 | H18 | 120.1° | 120.0° |
| O01 | C11 | C12 | C13 | 73.5° | 180.0° |
| O01 | C11 | C12 | C14 | 46.0° | 60.0° |
| O01 | C11 | C12 | C15 | 163.4° | 60.0° |
| O01 | C11 | H17 | H18 | 119.7° | 120.0° |
| O02 | P01 | O06 | O07 | 119.1° | 120.0° |
| P01 | O02 | P02 | O03 | 66.4° | 165.0° |
| P01 | O02 | P02 | O04 | 172.3° | 45.1° |
| P01 | O02 | P02 | O05 | 53.8° | 75.0° |
| O02 | P01 | O06 | H2 | 119.1° | 60.0° |
| O06 | P01 | O02 | P02 | 176.0° | 75.0° |
| O07 | P01 | O02 | P02 | 65.4° | 44.9° |
| O07 | P01 | O06 | H2 | 0.0° | 180.0° |
| O02 | P02 | O03 | O04 | 120.2° | 119.9° |
| O02 | P02 | O03 | O05 | 120.4° | 120.0° |
| O02 | P02 | O04 | O05 | 119.3° | 120.1° |
| O02 | P02 | O03 | C01 | 95.4° | 175.0° |
| O02 | P02 | O05 | H1 | 118.7° | 60.0° |
| O03 | P02 | O04 | O05 | 119.9° | 120.0° |
| P02 | O03 | C01 | C02 | 113.0° | 180.0° |
| P02 | O03 | C01 | H06 | 7.2° | 60.0° |
| P02 | O03 | C01 | H07 | 126.9° | 59.9° |
| O03 | P02 | O05 | H1 | 120.8° | 59.9° |
| O04 | P02 | O03 | C01 | 24.8° | 55.1° |
| O04 | P02 | O05 | H1 | 0.0° | 180.0° |
| O05 | P02 | O03 | C01 | 144.2° | 65.0° |
| O03 | C01 | C02 | H06 | 120.1° | 119.9° |
| O03 | C01 | C02 | H07 | 120.2° | 120.0° |
| O03 | C01 | C02 | O08 | 45.7° | 66.5° |
| O03 | C01 | C02 | C05 | 73.1° | 175.7° |
| O03 | C01 | H06 | H07 | 119.5° | 120.0° |
| O03 | C01 | C02 | H01 | 166.0° | 54.5° |
| C01 | C02 | O08 | C05 | 121.2° | 119.4° |
| C01 | C02 | O08 | H01 | 120.8° | 121.0° |
| C01 | C02 | C05 | H01 | 120.8° | 121.1° |
| C01 | C02 | O08 | C03 | 116.9° | 145.9° |
| C01 | C02 | C05 | C04 | 99.1° | 121.5° |
| C01 | C02 | C05 | O10 | 142.3° | 119.9° |
| C02 | C01 | H06 | H07 | 119.6° | 120.0° |
| C01 | C02 | C05 | H04 | 21.1° | 2.8° |
| O08 | C02 | C05 | H01 | 117.4° | 119.5° |
| C02 | O08 | C03 | C04 | 15.6° | 40.0° |
| C02 | O08 | C03 | N01 | 139.6° | 158.6° |
| O08 | C02 | C05 | C04 | 22.8° | 2.0° |
| O08 | C02 | C05 | O10 | 95.9° | 120.7° |
| O08 | C02 | C01 | H06 | 165.8° | 173.6° |
| O08 | C02 | C01 | H07 | 74.5° | 53.6° |
| C02 | O08 | C03 | H02 | 102.2° | 78.5° |
| O08 | C02 | C05 | H04 | 142.9° | 116.7° |
| C05 | C02 | O08 | C03 | 4.4° | 26.5° |
| C02 | C05 | C04 | C03 | 33.7° | 20.9° |
| C02 | C05 | C04 | O10 | 117.7° | 118.6° |
| C02 | C05 | C04 | H04 | 120.1° | 118.7° |
| C02 | C05 | C04 | O09 | 152.4° | 139.1° |
| C02 | C05 | O10 | H04 | 121.2° | 122.6° |
| C02 | C05 | O10 | P03 | 80.2° | 120.0° |
| C05 | C02 | C01 | H06 | 47.0° | 55.7° |
| C05 | C02 | C01 | H07 | 166.8° | 64.3° |
| C02 | C05 | C04 | H03 | 85.9° | 97.3° |
| O08 | C03 | C04 | N01 | 118.0° | 118.5° |
| O08 | C03 | C04 | H02 | 116.8° | 118.7° |
| O08 | C03 | N01 | H02 | 117.1° | 123.0° |
| O08 | C03 | C04 | C05 | 30.2° | 37.0° |
| O08 | C03 | C04 | O09 | 149.3° | 155.2° |
| O08 | C03 | N01 | C06 | 57.6° | 19.1° |
| O08 | C03 | N01 | C08 | 120.0° | 160.9° |
| C03 | O08 | C02 | H01 | 122.4° | 93.1° |
| O08 | C03 | C04 | H03 | 89.2° | 81.2° |
| C04 | C03 | N01 | H02 | 125.2° | 122.9° |
| C03 | C04 | C05 | O09 | 118.8° | 118.2° |
| C03 | C04 | C05 | H03 | 119.6° | 118.2° |
| C03 | C04 | O09 | H03 | 121.6° | 123.7° |
| C03 | C04 | C05 | O10 | 84.0° | 97.8° |
| C04 | C03 | N01 | C06 | 60.1° | 95.0° |
| C04 | C03 | N01 | C08 | 122.4° | 85.0° |
| C03 | C04 | C05 | H04 | 153.8° | 139.6° |
| C03 | C04 | O09 | H10 | 180.0° | 61.4° |
| N01 | C03 | C04 | C05 | 148.2° | 155.5° |
| N01 | C03 | C04 | O09 | 92.7° | 86.3° |
| C03 | N01 | C06 | C08 | 177.9° | 179.9° |
| C03 | N01 | C06 | N02 | 178.8° | 180.0° |
| C03 | N01 | C08 | C07 | 178.8° | 180.0° |
| C03 | N01 | C08 | N04 | 2.0° | 0.5° |
| N01 | C03 | C04 | H03 | 28.8° | 37.4° |
| C03 | N01 | C06 | H13 | 1.2° | 0.1° |
| C05 | C04 | O09 | H03 | 121.5° | 123.6° |
| C04 | C05 | O10 | H04 | 122.3° | 122.6° |
| C04 | C05 | O10 | P03 | 163.3° | 125.2° |
| C04 | C05 | C02 | H01 | 140.2° | 117.5° |
| C05 | C04 | C03 | H02 | 86.6° | 81.6° |
| C05 | C04 | O09 | H10 | 63.1° | 174.1° |
| O09 | C04 | C05 | O10 | 34.8° | 20.5° |
| O09 | C04 | C03 | H02 | 32.5° | 36.6° |
| O09 | C04 | C05 | H04 | 87.4° | 102.2° |
| C05 | O10 | P03 | O11 | 33.5° | 54.9° |
| C05 | O10 | P03 | O12 | 87.0° | 65.0° |
| C05 | O10 | P03 | O13 | 153.3° | 175.0° |
| O10 | C05 | C02 | H01 | 21.5° | 1.2° |
| O10 | C05 | C04 | H03 | 156.4° | 144.0° |
| O10 | P03 | O11 | O12 | 120.6° | 120.0° |
| O10 | P03 | O11 | O13 | 119.6° | 120.0° |
| O10 | P03 | O12 | O13 | 119.2° | 120.0° |
| P03 | O10 | C05 | H04 | 41.0° | 2.6° |
| O10 | P03 | O12 | H3 | 121.3° | 60.0° |
| O10 | P03 | O13 | H4 | 120.8° | 180.0° |
| O11 | P03 | O12 | O13 | 119.5° | 120.0° |
| O11 | P03 | O12 | H3 | 0.0° | 180.0° |
| O11 | P03 | O13 | H4 | 0.0° | 60.0° |
| O12 | P03 | O13 | H4 | 119.7° | 60.0° |
| O13 | P03 | O12 | H3 | 119.5° | 60.0° |
| N01 | C06 | N02 | H13 | 180.0° | 180.0° |
| N01 | C06 | N02 | C07 | 0.5° | 0.0° |
| C06 | N01 | C08 | C07 | 1.0° | 0.0° |
| C06 | N01 | C08 | N04 | 179.9° | 179.5° |
| C06 | N01 | C03 | H02 | 174.7° | 142.2° |
| C08 | N01 | C06 | N02 | 0.9° | 0.0° |
| N01 | C08 | C07 | N02 | 0.7° | 0.0° |
| N01 | C08 | C07 | N04 | 179.4° | 179.6° |
| N01 | C08 | C07 | C09 | 179.6° | 180.0° |
| N01 | C08 | N04 | C10 | 179.2° | 179.4° |
| C08 | N01 | C03 | H02 | 2.8° | 37.9° |
| C08 | N01 | C06 | H13 | 179.1° | 180.0° |
| C06 | N02 | C07 | C08 | 0.1° | 0.0° |
| C06 | N02 | C07 | C09 | 179.8° | 180.0° |
| N02 | C07 | C08 | C09 | 179.7° | 180.0° |
| N02 | C07 | C08 | N04 | 179.9° | 179.6° |
| N02 | C07 | C09 | N03 | 179.9° | 179.3° |
| N02 | C07 | C09 | N05 | 0.1° | 0.0° |
| C07 | N02 | C06 | H13 | 179.6° | 180.0° |
| C08 | C07 | C09 | N03 | 0.3° | 0.7° |
| C08 | C07 | C09 | N05 | 179.7° | 180.0° |
| C07 | C08 | N04 | C10 | 0.1° | 0.1° |
| C09 | C07 | C08 | N04 | 0.2° | 0.4° |
| C07 | C09 | N03 | N05 | 180.0° | 179.3° |
| C07 | C09 | N03 | C10 | 0.2° | 0.4° |
| C07 | C09 | N05 | H15 | 179.9° | 0.0° |
| C07 | C09 | N05 | H16 | 60.0° | 180.0° |
| C08 | N04 | C10 | N03 | 0.1° | 0.4° |
| C08 | N04 | C10 | H14 | 179.9° | 180.0° |
| C09 | N03 | C10 | N04 | 0.1° | 0.1° |
| C09 | N03 | C10 | H14 | 179.9° | 179.7° |
| N03 | C09 | N05 | H15 | 0.0° | 179.3° |
| N03 | C09 | N05 | H16 | 120.0° | 0.7° |
| N05 | C09 | N03 | C10 | 179.7° | 179.7° |
| C09 | N05 | H15 | H16 | 120.0° | 180.0° |
| N03 | C10 | N04 | H14 | 180.0° | 179.6° |
| C11 | C12 | C13 | C14 | 118.4° | 120.0° |
| C11 | C12 | C13 | C15 | 121.2° | 120.0° |
| C11 | C12 | C14 | C15 | 118.3° | 120.0° |
| C11 | C12 | C13 | C16 | 168.1° | 54.3° |
| C11 | C12 | C13 | O15 | 47.0° | 65.7° |
| C11 | C12 | C14 | H19 | 180.0° | 66.4° |
| C11 | C12 | C14 | H21 | 60.0° | 173.5° |
| C11 | C12 | C14 | H20 | 60.0° | 53.6° |
| C12 | C11 | H17 | H18 | 119.7° | 120.0° |
| C11 | C12 | C13 | H05 | 73.0° | 174.3° |
| C11 | C12 | C15 | H24 | 180.0° | 63.3° |
| C11 | C12 | C15 | H22 | 60.0° | 176.6° |
| C11 | C12 | C15 | H23 | 60.0° | 56.5° |
| C13 | C12 | C14 | C15 | 123.1° | 120.0° |
| C12 | C13 | C16 | O15 | 122.8° | 120.0° |
| C12 | C13 | C16 | H05 | 118.6° | 120.0° |
| C12 | C13 | O15 | H05 | 118.4° | 120.0° |
| C12 | C13 | C16 | N06 | 86.7° | 68.2° |
| C12 | C13 | C16 | O14 | 95.3° | 111.9° |
| C13 | C12 | C14 | H19 | 61.4° | 173.6° |
| C13 | C12 | C14 | H21 | 178.6° | 53.5° |
| C13 | C12 | C14 | H20 | 58.7° | 66.4° |
| C13 | C12 | C11 | H17 | 46.6° | 60.1° |
| C13 | C12 | C11 | H18 | 166.4° | 60.0° |
| C13 | C12 | C15 | H24 | 59.2° | 56.6° |
| C13 | C12 | C15 | H22 | 60.8° | 63.4° |
| C13 | C12 | C15 | H23 | 179.2° | 176.5° |
| C12 | C13 | O15 | H26 | 93.7° | 60.0° |
| C14 | C12 | C13 | C16 | 73.4° | 65.7° |
| C14 | C12 | C13 | O15 | 165.4° | 174.3° |
| C12 | C14 | H19 | H21 | 120.0° | 120.0° |
| C12 | C14 | H19 | H20 | 120.0° | 120.0° |
| C12 | C14 | H21 | H20 | 119.9° | 119.9° |
| C14 | C12 | C11 | H17 | 166.1° | 60.0° |
| C14 | C12 | C11 | H18 | 74.1° | 180.0° |
| C14 | C12 | C13 | H05 | 45.4° | 54.2° |
| C14 | C12 | C15 | H24 | 62.3° | 176.7° |
| C14 | C12 | C15 | H22 | 177.6° | 56.6° |
| C14 | C12 | C15 | H23 | 57.7° | 63.4° |
| C15 | C12 | C13 | C16 | 47.0° | 174.3° |
| C15 | C12 | C13 | O15 | 74.1° | 54.3° |
| C15 | C12 | C14 | H19 | 61.7° | 53.6° |
| C15 | C12 | C14 | H21 | 58.3° | 66.5° |
| C15 | C12 | C14 | H20 | 178.3° | 173.6° |
| C15 | C12 | C11 | H17 | 76.5° | 180.0° |
| C15 | C12 | C11 | H18 | 43.3° | 60.0° |
| C15 | C12 | C13 | H05 | 165.8° | 65.7° |
| C12 | C15 | H24 | H22 | 120.0° | 120.0° |
| C12 | C15 | H24 | H23 | 120.0° | 120.0° |
| C12 | C15 | H22 | H23 | 120.0° | 120.1° |
| C16 | C13 | O15 | H05 | 117.2° | 120.0° |
| C13 | C16 | N06 | O14 | 177.9° | 179.9° |
| C13 | C16 | N06 | C17 | 179.9° | 175.6° |
| C13 | C16 | N06 | H25 | 0.1° | 4.3° |
| C16 | C13 | O15 | H26 | 141.9° | 60.0° |
| O15 | C13 | C16 | N06 | 36.1° | 171.8° |
| O15 | C13 | C16 | O14 | 141.9° | 8.1° |
| C16 | N06 | C17 | H25 | 180.0° | 179.9° |
| C16 | N06 | C17 | C18 | 105.3° | 180.0° |
| N06 | C16 | C13 | H05 | 154.7° | 51.8° |
| C16 | N06 | C17 | H28 | 14.5° | 60.0° |
| C16 | N06 | C17 | H27 | 134.9° | 60.1° |
| O14 | C16 | N06 | C17 | 2.0° | 4.5° |
| O14 | C16 | C13 | H05 | 23.3° | 128.1° |
| O14 | C16 | N06 | H25 | 178.1° | 175.6° |
| N06 | C17 | C18 | H28 | 119.8° | 120.0° |
| N06 | C17 | C18 | H27 | 119.9° | 119.9° |
| N06 | C17 | C18 | C19 | 159.4° | 179.9° |
| N06 | C17 | H28 | H27 | 120.5° | 119.9° |
| N06 | C17 | C18 | H30 | 39.0° | 60.0° |
| N06 | C17 | C18 | H29 | 80.3° | 59.9° |
| C17 | C18 | C19 | H30 | 120.4° | 120.0° |
| C17 | C18 | C19 | H29 | 120.4° | 120.0° |
| C17 | C18 | C19 | N07 | 151.9° | 180.0° |
| C17 | C18 | C19 | O16 | 28.8° | 0.1° |
| C18 | C17 | H28 | H27 | 120.5° | 120.1° |
| C17 | C18 | H30 | H29 | 118.8° | 120.0° |
| C18 | C17 | N06 | H25 | 74.7° | 0.1° |
| C18 | C19 | N07 | O16 | 179.3° | 179.9° |
| C18 | C19 | N07 | C20 | 179.8° | 180.0° |
| C19 | C18 | C17 | H28 | 80.8° | 60.1° |
| C19 | C18 | C17 | H27 | 39.5° | 60.0° |
| C19 | C18 | H30 | H29 | 118.8° | 120.0° |
| C18 | C19 | N07 | H31 | 0.2° | 0.0° |
| C19 | N07 | C20 | H31 | 180.0° | 180.0° |
| C19 | N07 | C20 | C21 | 176.8° | 180.0° |
| N07 | C19 | C18 | H30 | 87.7° | 60.0° |
| N07 | C19 | C18 | H29 | 31.5° | 60.0° |
| C19 | N07 | C20 | H33 | 63.0° | 60.0° |
| C19 | N07 | C20 | H32 | 56.7° | 60.0° |
| O16 | C19 | N07 | C20 | 0.5° | 0.0° |
| O16 | C19 | C18 | H30 | 91.6° | 119.9° |
| O16 | C19 | C18 | H29 | 149.2° | 120.0° |
| O16 | C19 | N07 | H31 | 179.5° | 180.0° |
| N07 | C20 | C21 | H33 | 120.1° | 120.1° |
| N07 | C20 | C21 | H32 | 120.2° | 120.0° |
| N07 | C20 | C21 | N08 | 128.7° | 180.0° |
| N07 | C20 | H33 | H32 | 119.6° | 120.1° |
| N07 | C20 | C21 | H35 | 8.4° | 60.0° |
| N07 | C20 | C21 | H34 | 111.0° | 59.9° |
| C20 | C21 | N08 | H35 | 120.3° | 119.9° |
| C20 | C21 | N08 | H34 | 120.3° | 120.0° |
| C20 | C21 | N08 | C22 | 174.9° | 180.0° |
| C21 | C20 | H33 | H32 | 119.6° | 119.9° |
| C20 | C21 | H35 | H34 | 119.1° | 119.9° |
| C21 | C20 | N07 | H31 | 3.2° | 0.0° |
| C20 | C21 | N08 | H36 | 5.1° | 0.0° |
| C21 | N08 | C22 | H36 | 180.0° | 180.0° |
| C21 | N08 | C22 | C23 | 0.5° | 180.0° |
| C21 | N08 | C22 | O17 | 180.0° | 0.0° |
| N08 | C21 | C20 | H33 | 111.2° | 59.9° |
| N08 | C21 | C20 | H32 | 8.5° | 60.0° |
| N08 | C21 | H35 | H34 | 119.1° | 120.1° |
| N08 | C22 | C23 | O17 | 179.6° | 179.9° |
| N08 | C22 | C23 | C24 | 167.4° | 180.0° |
| C22 | N08 | C21 | H35 | 64.9° | 60.0° |
| C22 | N08 | C21 | H34 | 54.5° | 60.0° |
| N08 | C22 | C23 | H37 | 46.9° | 59.9° |
| N08 | C22 | C23 | H38 | 72.1° | 60.0° |
| C22 | C23 | C24 | H37 | 120.5° | 120.1° |
| C22 | C23 | C24 | H38 | 120.5° | 120.1° |
| C22 | C23 | C24 | C25 | 175.8° | 180.0° |
| C22 | C23 | C24 | O18 | 4.6° | 0.0° |
| C22 | C23 | H37 | H38 | 118.5° | 120.0° |
| C23 | C22 | N08 | H36 | 179.5° | 0.0° |
| O17 | C22 | C23 | C24 | 13.0° | 0.0° |
| O17 | C22 | C23 | H37 | 133.5° | 120.0° |
| O17 | C22 | C23 | H38 | 107.5° | 120.1° |
| O17 | C22 | N08 | H36 | 0.1° | 180.0° |
| C23 | C24 | C25 | O18 | 179.6° | 180.0° |
| C23 | C24 | C25 | C26 | 34.4° | 180.0° |
| C23 | C24 | C25 | C30 | 146.3° | 0.3° |
| C24 | C23 | H37 | H38 | 118.5° | 120.0° |
| C24 | C25 | C26 | C30 | 179.3° | 179.7° |
| C24 | C25 | C26 | C27 | 179.3° | 180.0° |
| C24 | C25 | C30 | C29 | 179.2° | 179.7° |
| C25 | C24 | C23 | H37 | 63.7° | 60.0° |
| C25 | C24 | C23 | H38 | 55.3° | 59.9° |
| C24 | C25 | C26 | H39 | 0.8° | 0.0° |
| C24 | C25 | C30 | H43 | 0.8° | 0.0° |
| O18 | C24 | C25 | C26 | 145.1° | 0.0° |
| O18 | C24 | C25 | C30 | 34.2° | 179.7° |
| O18 | C24 | C23 | H37 | 115.9° | 120.0° |
| O18 | C24 | C23 | H38 | 125.1° | 120.1° |
| C25 | C26 | C27 | H39 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.6° | 0.1° |
| C26 | C25 | C30 | C29 | 0.1° | 0.5° |
| C25 | C26 | C27 | H40 | 179.4° | 180.0° |
| C26 | C25 | C30 | H43 | 179.9° | 179.7° |
| C30 | C25 | C26 | C27 | 0.0° | 0.2° |
| C25 | C30 | C29 | C28 | 0.7° | 0.5° |
| C25 | C30 | C29 | H43 | 180.0° | 179.7° |
| C30 | C25 | C26 | H39 | 179.9° | 179.7° |
| C25 | C30 | C29 | H42 | 179.3° | 179.7° |
| C26 | C27 | C28 | H40 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.1° | 0.1° |
| C26 | C27 | C28 | H41 | 178.9° | 179.9° |
| C27 | C28 | C29 | H41 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.2° | 0.2° |
| C28 | C27 | C26 | H39 | 179.4° | 180.0° |
| C27 | C28 | C29 | H42 | 178.8° | 180.0° |
| C28 | C29 | C30 | H42 | 180.0° | 179.8° |
| C29 | C28 | C27 | H40 | 178.9° | 180.0° |
| C28 | C29 | C30 | H43 | 179.3° | 179.7° |
| C30 | C29 | C28 | H41 | 178.8° | 179.8° |
| H19 | C14 | H21 | H20 | 120.0° | 120.0° |
| H05 | C13 | O15 | H26 | 24.7° | 180.0° |
| H06 | C01 | C02 | H01 | 73.9° | 65.4° |
| H07 | C01 | C02 | H01 | 45.8° | 174.6° |
| H01 | C02 | C05 | H04 | 99.7° | 123.8° |
| H02 | C03 | C04 | H03 | 154.0° | 160.2° |
| H03 | C04 | C05 | H04 | 34.2° | 21.4° |
| H03 | C04 | O09 | H10 | 58.4° | 62.3° |
| H24 | C15 | H22 | H23 | 120.0° | 119.9° |
| H28 | C17 | C18 | H30 | 158.8° | 60.0° |
| H28 | C17 | C18 | H29 | 39.5° | 179.9° |
| H28 | C17 | N06 | H25 | 165.5° | 119.9° |
| H27 | C17 | C18 | H30 | 80.9° | 179.9° |
| H27 | C17 | C18 | H29 | 159.9° | 60.0° |
| H27 | C17 | N06 | H25 | 45.2° | 120.0° |
| H33 | C20 | C21 | H35 | 128.5° | 60.1° |
| H33 | C20 | C21 | H34 | 9.1° | 180.0° |
| H33 | C20 | N07 | H31 | 117.0° | 120.0° |
| H32 | C20 | C21 | H35 | 111.8° | 180.0° |
| H32 | C20 | C21 | H34 | 128.8° | 60.1° |
| H32 | C20 | N07 | H31 | 123.3° | 120.0° |
| H35 | C21 | N08 | H36 | 115.2° | 120.0° |
| H34 | C21 | N08 | H36 | 125.4° | 120.0° |
| H39 | C26 | C27 | H40 | 0.6° | 0.1° |
| H40 | C27 | C28 | H41 | 1.1° | 0.0° |
| H41 | C28 | C29 | H42 | 1.2° | 0.0° |
| H42 | C29 | C30 | H43 | 0.7° | 0.1° |
