A1AT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | P01 | sing | 1.61Å | 1.66Å | |
| O01 | C11 | sing | 1.43Å | 1.40Å | |
| P01 | O02 | sing | 1.61Å | 1.66Å | |
| P01 | O06 | doub | 1.48Å | 1.51Å | |
| P01 | O07 | sing | 1.61Å | 1.51Å | |
| O02 | P02 | sing | 1.61Å | 1.66Å | |
| P02 | O03 | sing | 1.61Å | 1.65Å | |
| P02 | O04 | doub | 1.48Å | 1.51Å | |
| P02 | O05 | sing | 1.61Å | 1.51Å | |
| O03 | C01 | sing | 1.43Å | 1.40Å | |
| C01 | C02 | sing | 1.53Å | 1.48Å | |
| C02 | O08 | sing | 1.44Å | 1.53Å | |
| C02 | C05 | sing | 1.54Å | 1.48Å | |
| O08 | C03 | sing | 1.44Å | 1.53Å | |
| C03 | C04 | sing | 1.55Å | 1.49Å | |
| C03 | N01 | sing | 1.47Å | 1.41Å | |
| C04 | C05 | sing | 1.55Å | 1.45Å | |
| C04 | O09 | sing | 1.43Å | 1.46Å | |
| C05 | O10 | sing | 1.43Å | 1.46Å | |
| O10 | P03 | sing | 1.61Å | 1.65Å | |
| P03 | O11 | doub | 1.48Å | 1.51Å | |
| P03 | O12 | sing | 1.61Å | 1.52Å | |
| P03 | O13 | sing | 1.61Å | 1.51Å | |
| N01 | C06 | sing | 1.36Å | 1.34Å | Aromatic |
| N01 | C08 | sing | 1.37Å | 1.33Å | Aromatic |
| C06 | N02 | doub | 1.30Å | 1.37Å | Aromatic |
| N02 | C07 | sing | 1.35Å | 1.47Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.37Å | Aromatic |
| C07 | C09 | sing | 1.41Å | 1.34Å | Aromatic |
| C08 | N04 | sing | 1.33Å | 1.32Å | Aromatic |
| C09 | N03 | doub | 1.33Å | 1.32Å | Aromatic |
| C09 | N05 | sing | 1.38Å | 1.46Å | |
| N03 | C10 | sing | 1.32Å | 1.38Å | Aromatic |
| C10 | N04 | doub | 1.32Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C16 | sing | 1.51Å | 1.53Å | |
| C13 | O15 | sing | 1.43Å | 1.41Å | |
| C16 | N06 | sing | 1.35Å | 1.47Å | |
| C16 | O14 | doub | 1.21Å | 1.18Å | |
| N06 | C17 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | N07 | sing | 1.35Å | 1.46Å | |
| C19 | O16 | doub | 1.21Å | 1.19Å | |
| N07 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | N08 | sing | 1.46Å | 1.45Å | |
| N08 | C22 | sing | 1.35Å | 1.47Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | O17 | doub | 1.21Å | 1.18Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C24 | O18 | sing | 1.43Å | 1.39Å | |
| C24 | O19 | sing | 1.44Å | 1.41Å | |
| C25 | C26 | doub | 1.38Å | 1.33Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.53Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.54Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.33Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.53Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.32Å | Aromatic |
| O18 | C31 | sing | 1.44Å | 1.39Å | |
| O19 | C32 | sing | 1.45Å | 1.40Å | |
| C31 | C32 | sing | 1.55Å | 1.52Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H05 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| C30 | H43 | sing | 1.08Å | 1.08Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C01 | H07 | sing | 1.09Å | 1.10Å | |
| C01 | H06 | 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 | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | 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 | |
| C28 | H41 | sing | 1.08Å | 1.08Å | |
| C29 | H42 | sing | 1.08Å | 1.08Å | |
| N05 | H16 | sing | 0.97Å | 1.00Å | |
| N05 | H15 | 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 | |
| O07 | 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 | 120.9° | 123.0° |
| O01 | P01 | O02 | 111.8° | 109.5° |
| O01 | P01 | O06 | 108.0° | 109.5° |
| O01 | P01 | O07 | 109.9° | 109.5° |
| O01 | C11 | C12 | 110.7° | 109.5° |
| O01 | C11 | H18 | 109.2° | 109.4° |
| O01 | C11 | H17 | 109.1° | 109.5° |
| O02 | P01 | O06 | 107.9° | 109.5° |
| O02 | P01 | O07 | 109.8° | 109.5° |
| P01 | O02 | P02 | 126.6° | 134.0° |
| O06 | P01 | O07 | 109.4° | 109.5° |
| P01 | O07 | H2 | 109.5° | 114.0° |
| O02 | P02 | O03 | 105.8° | 109.5° |
| O02 | P02 | O04 | 110.1° | 109.5° |
| O02 | P02 | O05 | 111.8° | 109.4° |
| O03 | P02 | O04 | 109.7° | 109.5° |
| O03 | P02 | O05 | 109.8° | 109.5° |
| P02 | O03 | C01 | 114.8° | 123.0° |
| O04 | P02 | O05 | 109.5° | 109.4° |
| P02 | O05 | H1 | 109.5° | 114.0° |
| O03 | C01 | C02 | 112.9° | 109.5° |
| O03 | C01 | H07 | 108.6° | 109.4° |
| O03 | C01 | H06 | 108.6° | 109.4° |
| C01 | C02 | O08 | 109.0° | 109.9° |
| C01 | C02 | C05 | 113.7° | 109.9° |
| C02 | C01 | H07 | 108.6° | 109.5° |
| C02 | C01 | H06 | 108.6° | 109.5° |
| C01 | C02 | H01 | 109.7° | 109.8° |
| O08 | C02 | C05 | 105.6° | 107.3° |
| C02 | O08 | C03 | 103.9° | 107.0° |
| O08 | C02 | H01 | 109.1° | 109.9° |
| C02 | C05 | C04 | 105.4° | 104.1° |
| C02 | C05 | O10 | 107.8° | 110.5° |
| C05 | C02 | H01 | 109.6° | 110.0° |
| C02 | C05 | H04 | 111.0° | 110.5° |
| O08 | C03 | C04 | 106.5° | 103.5° |
| O08 | C03 | N01 | 110.2° | 110.7° |
| O08 | C03 | H02 | 107.9° | 110.8° |
| C04 | C03 | N01 | 114.0° | 110.6° |
| C03 | C04 | C05 | 104.4° | 102.1° |
| C03 | C04 | O09 | 111.2° | 110.9° |
| C04 | C03 | H02 | 108.5° | 110.6° |
| C03 | C04 | H03 | 110.0° | 110.9° |
| C03 | N01 | C06 | 123.6° | 126.2° |
| C03 | N01 | C08 | 122.4° | 126.3° |
| N01 | C03 | H02 | 109.5° | 110.6° |
| C05 | C04 | O09 | 110.3° | 110.9° |
| C04 | C05 | O10 | 109.6° | 110.5° |
| C05 | C04 | H03 | 110.5° | 110.9° |
| C04 | C05 | H04 | 111.5° | 110.5° |
| O09 | C04 | H03 | 110.4° | 110.8° |
| C04 | O09 | H10 | 109.5° | 114.0° |
| C05 | O10 | P03 | 119.5° | 123.0° |
| O10 | C05 | H04 | 111.3° | 110.6° |
| O10 | P03 | O11 | 108.6° | 109.4° |
| O10 | P03 | O12 | 110.4° | 109.5° |
| O10 | P03 | O13 | 109.4° | 109.5° |
| O11 | P03 | O12 | 109.9° | 109.5° |
| O11 | P03 | O13 | 109.6° | 109.5° |
| O12 | P03 | O13 | 108.9° | 109.5° |
| P03 | O12 | H3 | 109.5° | 114.0° |
| P03 | O13 | H4 | 109.5° | 114.0° |
| C06 | N01 | C08 | 114.0° | 107.4° |
| N01 | C06 | N02 | 107.5° | 109.9° |
| N01 | C06 | H13 | 126.2° | 125.0° |
| N01 | C08 | C07 | 106.1° | 106.0° |
| N01 | C08 | N04 | 131.6° | 134.9° |
| C06 | N02 | C07 | 105.0° | 109.5° |
| N02 | C06 | H13 | 126.3° | 125.1° |
| N02 | C07 | C08 | 107.4° | 107.2° |
| N02 | C07 | C09 | 132.1° | 134.7° |
| C08 | C07 | C09 | 120.5° | 118.2° |
| C07 | C08 | N04 | 122.3° | 119.1° |
| C07 | C09 | N03 | 118.8° | 118.4° |
| C07 | C09 | N05 | 121.4° | 120.8° |
| C08 | N04 | C10 | 117.0° | 120.6° |
| N03 | C09 | N05 | 119.8° | 120.8° |
| C09 | N03 | C10 | 121.2° | 121.2° |
| C09 | N05 | H16 | 109.5° | 120.0° |
| C09 | N05 | H15 | 109.5° | 120.1° |
| N03 | C10 | N04 | 120.3° | 122.4° |
| N03 | C10 | H14 | 119.9° | 118.8° |
| N04 | C10 | H14 | 119.8° | 118.8° |
| C11 | C12 | C13 | 108.4° | 109.5° |
| C11 | C12 | C14 | 108.3° | 109.5° |
| C11 | C12 | C15 | 108.9° | 109.4° |
| C12 | C11 | H18 | 109.2° | 109.4° |
| C12 | C11 | H17 | 109.2° | 109.5° |
| C13 | C12 | C14 | 110.9° | 109.5° |
| C13 | C12 | C15 | 111.8° | 109.5° |
| C12 | C13 | C16 | 113.6° | 109.5° |
| C12 | C13 | O15 | 110.9° | 109.5° |
| C12 | C13 | H05 | 107.6° | 109.5° |
| C14 | C12 | C15 | 108.5° | 109.5° |
| C12 | C14 | H20 | 109.5° | 109.5° |
| C12 | C14 | H21 | 109.5° | 109.5° |
| C12 | C14 | H19 | 109.4° | 109.5° |
| C12 | C15 | H22 | 109.5° | 109.5° |
| C12 | C15 | H23 | 109.5° | 109.4° |
| C12 | C15 | H24 | 109.5° | 109.5° |
| C16 | C13 | O15 | 107.6° | 109.5° |
| C13 | C16 | N06 | 121.5° | 120.0° |
| C13 | C16 | O14 | 116.4° | 120.0° |
| C16 | C13 | H05 | 107.7° | 109.4° |
| O15 | C13 | H05 | 109.3° | 109.5° |
| C13 | O15 | H26 | 109.5° | 114.0° |
| N06 | C16 | O14 | 122.1° | 120.0° |
| C16 | N06 | C17 | 122.5° | 120.0° |
| C16 | N06 | H25 | 118.7° | 120.0° |
| N06 | C17 | C18 | 111.3° | 109.4° |
| N06 | C17 | H27 | 109.0° | 109.5° |
| N06 | C17 | H28 | 109.0° | 109.4° |
| C17 | N06 | H25 | 118.8° | 120.1° |
| C17 | C18 | C19 | 110.1° | 109.5° |
| C18 | C17 | H27 | 109.0° | 109.4° |
| C18 | C17 | H28 | 109.0° | 109.5° |
| C17 | C18 | H30 | 109.3° | 109.5° |
| C17 | C18 | H29 | 109.3° | 109.5° |
| C18 | C19 | N07 | 120.4° | 120.0° |
| C18 | C19 | O16 | 119.4° | 120.0° |
| C19 | C18 | H30 | 109.3° | 109.4° |
| C19 | C18 | H29 | 109.3° | 109.5° |
| N07 | C19 | O16 | 120.2° | 120.0° |
| C19 | N07 | C20 | 122.4° | 120.0° |
| C19 | N07 | H31 | 118.8° | 120.0° |
| N07 | C20 | C21 | 111.1° | 109.5° |
| N07 | C20 | H33 | 109.0° | 109.5° |
| N07 | C20 | H32 | 109.1° | 109.5° |
| C20 | N07 | H31 | 118.8° | 120.0° |
| C20 | C21 | N08 | 111.4° | 109.5° |
| C21 | C20 | H33 | 109.1° | 109.4° |
| C21 | C20 | H32 | 109.1° | 109.4° |
| C20 | C21 | H34 | 109.0° | 109.5° |
| C20 | C21 | H35 | 109.0° | 109.5° |
| C21 | N08 | C22 | 121.0° | 120.0° |
| N08 | C21 | H34 | 109.0° | 109.5° |
| N08 | C21 | H35 | 109.0° | 109.5° |
| C21 | N08 | H36 | 119.5° | 120.0° |
| N08 | C22 | C23 | 117.3° | 120.0° |
| N08 | C22 | O17 | 120.9° | 120.0° |
| C22 | N08 | H36 | 119.5° | 120.0° |
| C23 | C22 | O17 | 121.7° | 120.0° |
| C22 | C23 | C24 | 122.9° | 109.5° |
| C22 | C23 | H37 | 106.0° | 109.5° |
| C22 | C23 | H38 | 106.0° | 109.4° |
| C23 | C24 | C25 | 110.6° | 109.6° |
| C23 | C24 | O18 | 111.3° | 109.6° |
| C23 | C24 | O19 | 107.7° | 109.5° |
| C24 | C23 | H37 | 106.0° | 109.5° |
| C24 | C23 | H38 | 106.0° | 109.5° |
| C25 | C24 | O18 | 111.2° | 109.6° |
| C25 | C24 | O19 | 105.8° | 109.7° |
| C24 | C25 | C26 | 120.5° | 120.1° |
| C24 | C25 | C30 | 120.9° | 120.0° |
| O18 | C24 | O19 | 110.1° | 108.8° |
| C24 | O18 | C31 | 107.3° | 107.3° |
| C24 | O19 | C32 | 106.6° | 104.8° |
| C26 | C25 | C30 | 118.6° | 119.9° |
| C25 | C26 | C27 | 120.4° | 120.0° |
| C25 | C26 | H39 | 119.8° | 119.9° |
| C25 | C30 | C29 | 121.3° | 120.0° |
| C25 | C30 | H43 | 119.4° | 120.0° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C26 | C27 | H40 | 119.9° | 120.0° |
| C27 | C26 | H39 | 119.8° | 120.0° |
| C27 | C28 | C29 | 119.3° | 120.0° |
| C28 | C27 | H40 | 119.9° | 120.0° |
| C27 | C28 | H41 | 120.4° | 120.0° |
| C28 | C29 | C30 | 120.1° | 120.0° |
| C29 | C28 | H41 | 120.3° | 120.0° |
| C28 | C29 | H42 | 120.0° | 120.0° |
| C29 | C30 | H43 | 119.4° | 120.0° |
| C30 | C29 | H42 | 119.9° | 120.0° |
| O18 | C31 | C32 | 106.7° | 103.1° |
| O18 | C31 | H44 | 110.2° | 110.7° |
| O18 | C31 | H45 | 110.2° | 110.9° |
| O19 | C32 | C31 | 105.4° | 101.7° |
| O19 | C32 | H47 | 110.5° | 111.0° |
| O19 | C32 | H46 | 110.5° | 111.0° |
| C32 | C31 | H44 | 110.2° | 110.8° |
| C32 | C31 | H45 | 110.1° | 110.7° |
| C31 | C32 | H47 | 110.5° | 111.0° |
| C31 | C32 | H46 | 110.5° | 110.9° |
| H18 | C11 | H17 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.4° | 109.4° |
| H20 | C14 | H19 | 109.5° | 109.5° |
| H21 | C14 | H19 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H22 | C15 | H24 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| H33 | C20 | H32 | 109.5° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| H44 | C31 | H45 | 109.5° | 110.6° |
| H47 | C32 | H46 | 109.5° | 110.9° |
| H07 | C01 | H06 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.6° |
| H30 | C18 | H29 | 109.5° | 109.4° |
| H37 | C23 | H38 | 109.5° | 109.5° |
| H16 | N05 | H15 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | P01 | O02 | O06 | 118.6° | 120.0° |
| O01 | P01 | O02 | O07 | 122.2° | 120.0° |
| O01 | P01 | O06 | O07 | 119.6° | 120.0° |
| O01 | P01 | O02 | P02 | 117.8° | 160.0° |
| P01 | O01 | C11 | C12 | 109.7° | 180.0° |
| P01 | O01 | C11 | H18 | 10.5° | 60.1° |
| P01 | O01 | C11 | H17 | 130.1° | 60.0° |
| O01 | P01 | O07 | H2 | 118.4° | 60.0° |
| C11 | O01 | P01 | O02 | 73.6° | 175.0° |
| C11 | O01 | P01 | O06 | 167.9° | 55.0° |
| C11 | O01 | P01 | O07 | 48.6° | 65.0° |
| O01 | C11 | C12 | H18 | 120.2° | 119.9° |
| O01 | C11 | C12 | H17 | 120.2° | 120.1° |
| O01 | C11 | C12 | C13 | 66.4° | 180.0° |
| O01 | C11 | C12 | C14 | 54.0° | 60.0° |
| O01 | C11 | C12 | C15 | 171.8° | 60.0° |
| O01 | C11 | H18 | H17 | 119.4° | 120.1° |
| O02 | P01 | O06 | O07 | 119.4° | 120.0° |
| P01 | O02 | P02 | O03 | 122.1° | 165.0° |
| P01 | O02 | P02 | O04 | 119.3° | 45.0° |
| P01 | O02 | P02 | O05 | 2.6° | 75.0° |
| O02 | P01 | O07 | H2 | 118.2° | 60.0° |
| O06 | P01 | O02 | P02 | 123.7° | 40.0° |
| O06 | P01 | O07 | H2 | 0.0° | 180.0° |
| O07 | P01 | O02 | P02 | 4.5° | 80.0° |
| O02 | P02 | O03 | O04 | 118.8° | 120.1° |
| O02 | P02 | O03 | O05 | 120.8° | 120.0° |
| O02 | P02 | O04 | O05 | 123.3° | 120.0° |
| O02 | P02 | O03 | C01 | 7.6° | 175.0° |
| O02 | P02 | O05 | H1 | 122.3° | 60.1° |
| O03 | P02 | O04 | O05 | 120.6° | 120.0° |
| P02 | O03 | C01 | C02 | 177.4° | 180.0° |
| P02 | O03 | C01 | H07 | 62.0° | 59.9° |
| P02 | O03 | C01 | H06 | 56.9° | 60.0° |
| O03 | P02 | O05 | H1 | 120.6° | 60.0° |
| O04 | P02 | O03 | C01 | 126.4° | 55.0° |
| O04 | P02 | O05 | H1 | 0.0° | 180.0° |
| O05 | P02 | O03 | C01 | 113.2° | 65.0° |
| O03 | C01 | C02 | H07 | 120.5° | 120.0° |
| O03 | C01 | C02 | H06 | 120.5° | 120.0° |
| O03 | C01 | C02 | O08 | 111.6° | 66.4° |
| O03 | C01 | C02 | C05 | 5.9° | 175.7° |
| O03 | C01 | H07 | H06 | 118.4° | 120.0° |
| O03 | C01 | C02 | H01 | 129.0° | 54.5° |
| C01 | C02 | O08 | C05 | 122.5° | 119.4° |
| C01 | C02 | O08 | H01 | 119.8° | 120.9° |
| C01 | C02 | C05 | H01 | 123.2° | 121.0° |
| C01 | C02 | O08 | C03 | 107.7° | 146.0° |
| C01 | C02 | C05 | C04 | 86.1° | 121.5° |
| C01 | C02 | C05 | O10 | 156.9° | 119.9° |
| C02 | C01 | H07 | H06 | 118.5° | 120.0° |
| C01 | C02 | C05 | H04 | 34.8° | 2.8° |
| O08 | C02 | C05 | H01 | 117.4° | 119.5° |
| C02 | O08 | C03 | C04 | 8.3° | 40.1° |
| C02 | O08 | C03 | N01 | 132.4° | 158.5° |
| O08 | C02 | C05 | C04 | 33.4° | 2.0° |
| O08 | C02 | C05 | O10 | 83.6° | 120.7° |
| O08 | C02 | C01 | H07 | 127.9° | 173.6° |
| O08 | C02 | C01 | H06 | 8.9° | 53.5° |
| C02 | O08 | C03 | H02 | 108.1° | 78.5° |
| O08 | C02 | C05 | H04 | 154.2° | 116.6° |
| C05 | C02 | O08 | C03 | 14.8° | 26.5° |
| C02 | C05 | C04 | C03 | 38.6° | 20.9° |
| C02 | C05 | C04 | O10 | 115.8° | 118.6° |
| C02 | C05 | C04 | H04 | 120.5° | 118.6° |
| C02 | C05 | C04 | O09 | 158.1° | 139.1° |
| C02 | C05 | O10 | H04 | 122.0° | 122.7° |
| C02 | C05 | O10 | P03 | 87.8° | 120.1° |
| C05 | C02 | C01 | H07 | 114.7° | 55.7° |
| C05 | C02 | C01 | H06 | 126.3° | 64.3° |
| C02 | C05 | C04 | H03 | 79.6° | 97.3° |
| O08 | C03 | C04 | N01 | 121.7° | 118.5° |
| O08 | C03 | C04 | H02 | 115.9° | 118.7° |
| O08 | C03 | N01 | H02 | 118.6° | 123.1° |
| O08 | C03 | C04 | C05 | 28.8° | 37.0° |
| O08 | C03 | C04 | O09 | 147.7° | 155.2° |
| O08 | C03 | N01 | C06 | 45.8° | 19.1° |
| O08 | C03 | N01 | C08 | 132.8° | 160.9° |
| C03 | O08 | C02 | H01 | 132.6° | 93.1° |
| O08 | C03 | C04 | H03 | 89.8° | 81.2° |
| C04 | C03 | N01 | H02 | 121.8° | 122.8° |
| C03 | C04 | C05 | O09 | 119.5° | 118.2° |
| C03 | C04 | C05 | H03 | 118.2° | 118.2° |
| C03 | C04 | O09 | H03 | 122.3° | 123.6° |
| C03 | C04 | C05 | O10 | 77.2° | 97.8° |
| C04 | C03 | N01 | C06 | 73.9° | 95.0° |
| C04 | C03 | N01 | C08 | 107.5° | 85.0° |
| C03 | C04 | C05 | H04 | 159.1° | 139.5° |
| C03 | C04 | O09 | H10 | 180.0° | 61.5° |
| N01 | C03 | C04 | C05 | 150.5° | 155.6° |
| N01 | C03 | C04 | O09 | 90.6° | 86.3° |
| C03 | N01 | C06 | C08 | 178.7° | 180.0° |
| C03 | N01 | C06 | N02 | 179.4° | 180.0° |
| C03 | N01 | C08 | C07 | 179.4° | 180.0° |
| C03 | N01 | C08 | N04 | 1.3° | 0.5° |
| N01 | C03 | C04 | H03 | 32.0° | 37.3° |
| C03 | N01 | C06 | H13 | 0.6° | 0.0° |
| C05 | C04 | O09 | H03 | 122.3° | 123.7° |
| C04 | C05 | O10 | H04 | 123.8° | 122.6° |
| C04 | C05 | O10 | P03 | 158.0° | 125.2° |
| C04 | C05 | C02 | H01 | 150.7° | 117.5° |
| C05 | C04 | C03 | H02 | 87.2° | 81.6° |
| C05 | C04 | O09 | H10 | 64.7° | 174.2° |
| O09 | C04 | C05 | O10 | 42.3° | 20.4° |
| O09 | C04 | C03 | H02 | 31.7° | 36.6° |
| O09 | C04 | C05 | H04 | 81.4° | 102.3° |
| C05 | O10 | P03 | O11 | 72.9° | 55.0° |
| C05 | O10 | P03 | O12 | 47.7° | 175.0° |
| C05 | O10 | P03 | O13 | 167.5° | 64.9° |
| O10 | C05 | C02 | H01 | 33.7° | 1.2° |
| O10 | C05 | C04 | H03 | 164.6° | 144.0° |
| O10 | P03 | O11 | O12 | 120.8° | 120.0° |
| O10 | P03 | O11 | O13 | 119.5° | 120.0° |
| O10 | P03 | O12 | O13 | 120.2° | 120.1° |
| P03 | O10 | C05 | H04 | 34.2° | 2.6° |
| O10 | P03 | O12 | H3 | 119.8° | 180.0° |
| O10 | P03 | O13 | H4 | 119.0° | 60.0° |
| O11 | P03 | O12 | O13 | 120.0° | 120.0° |
| O11 | P03 | O12 | H3 | 0.0° | 60.0° |
| O11 | P03 | O13 | H4 | 0.0° | 180.0° |
| O12 | P03 | O13 | H4 | 120.3° | 60.0° |
| O13 | P03 | O12 | H3 | 120.1° | 60.0° |
| N01 | C06 | N02 | H13 | 180.0° | 180.0° |
| N01 | C06 | N02 | C07 | 0.4° | 0.0° |
| C06 | N01 | C08 | C07 | 0.7° | 0.0° |
| C06 | N01 | C08 | N04 | 180.0° | 179.5° |
| C06 | N01 | C03 | H02 | 164.4° | 142.2° |
| C08 | N01 | C06 | N02 | 0.7° | 0.0° |
| N01 | C08 | C07 | N02 | 0.4° | 0.0° |
| N01 | C08 | C07 | N04 | 179.4° | 179.6° |
| N01 | C08 | C07 | C09 | 179.7° | 180.0° |
| N01 | C08 | N04 | C10 | 179.6° | 179.4° |
| C08 | N01 | C03 | H02 | 14.2° | 37.8° |
| C08 | N01 | C06 | H13 | 179.3° | 180.0° |
| C06 | N02 | C07 | C08 | 0.0° | 0.0° |
| C06 | N02 | C07 | C09 | 179.8° | 180.0° |
| N02 | C07 | C08 | C09 | 179.9° | 180.0° |
| N02 | C07 | C08 | N04 | 179.8° | 179.5° |
| N02 | C07 | C09 | N03 | 179.9° | 179.3° |
| N02 | C07 | C09 | N05 | 0.1° | 0.0° |
| C07 | N02 | C06 | H13 | 179.6° | 179.9° |
| C08 | C07 | C09 | N03 | 0.2° | 0.7° |
| C08 | C07 | C09 | N05 | 179.8° | 180.0° |
| C07 | C08 | N04 | C10 | 0.4° | 0.1° |
| C09 | C07 | C08 | N04 | 0.3° | 0.5° |
| C07 | C09 | N03 | N05 | 180.0° | 179.2° |
| C07 | C09 | N03 | C10 | 0.2° | 0.5° |
| C07 | C09 | N05 | H16 | 180.0° | 0.0° |
| C07 | C09 | N05 | H15 | 60.0° | 180.0° |
| C08 | N04 | C10 | N03 | 0.4° | 0.4° |
| C08 | N04 | C10 | H14 | 179.6° | 180.0° |
| C09 | N03 | C10 | N04 | 0.3° | 0.1° |
| C09 | N03 | C10 | H14 | 179.7° | 179.7° |
| N03 | C09 | N05 | H16 | 0.0° | 179.3° |
| N03 | C09 | N05 | H15 | 120.0° | 0.8° |
| N05 | C09 | N03 | C10 | 179.8° | 179.7° |
| C09 | N05 | H16 | H15 | 120.0° | 180.0° |
| N03 | C10 | N04 | H14 | 180.0° | 179.6° |
| C11 | C12 | C13 | C14 | 118.8° | 120.0° |
| C11 | C12 | C13 | C15 | 120.1° | 120.0° |
| C11 | C12 | C14 | C15 | 118.1° | 120.0° |
| C11 | C12 | C13 | C16 | 170.8° | 54.6° |
| C11 | C12 | C13 | O15 | 49.5° | 65.5° |
| C12 | C11 | H18 | H17 | 119.5° | 120.0° |
| C11 | C12 | C13 | H05 | 70.1° | 174.5° |
| C11 | C12 | C14 | H20 | 180.0° | 67.5° |
| C11 | C12 | C14 | H21 | 60.0° | 172.6° |
| C11 | C12 | C14 | H19 | 60.0° | 52.5° |
| C11 | C12 | C15 | H22 | 180.0° | 64.6° |
| C11 | C12 | C15 | H23 | 60.0° | 175.4° |
| C11 | C12 | C15 | H24 | 60.0° | 55.4° |
| C13 | C12 | C14 | C15 | 123.1° | 120.0° |
| C12 | C13 | C16 | O15 | 123.2° | 120.1° |
| C12 | C13 | C16 | H05 | 119.1° | 120.0° |
| C12 | C13 | O15 | H05 | 118.5° | 120.0° |
| C12 | C13 | C16 | N06 | 82.0° | 69.8° |
| C12 | C13 | C16 | O14 | 99.1° | 110.1° |
| C13 | C12 | C11 | H18 | 53.8° | 60.0° |
| C13 | C12 | C11 | H17 | 173.5° | 60.0° |
| C13 | C12 | C14 | H20 | 61.2° | 172.5° |
| C13 | C12 | C14 | H21 | 178.8° | 52.6° |
| C13 | C12 | C14 | H19 | 58.8° | 67.5° |
| C13 | C12 | C15 | H22 | 60.3° | 55.4° |
| C13 | C12 | C15 | H23 | 59.7° | 64.7° |
| C13 | C12 | C15 | H24 | 179.7° | 175.4° |
| C12 | C13 | O15 | H26 | 180.0° | 60.0° |
| C14 | C12 | C13 | C16 | 70.4° | 65.4° |
| C14 | C12 | C13 | O15 | 168.2° | 174.5° |
| C14 | C12 | C11 | H18 | 174.1° | 60.0° |
| C14 | C12 | C11 | H17 | 66.2° | 180.0° |
| C14 | C12 | C13 | H05 | 48.7° | 54.5° |
| C12 | C14 | H20 | H21 | 120.0° | 120.0° |
| C12 | C14 | H20 | H19 | 120.0° | 120.1° |
| C12 | C14 | H21 | H19 | 120.0° | 120.0° |
| C14 | C12 | C15 | H22 | 62.3° | 175.4° |
| C14 | C12 | C15 | H23 | 177.7° | 55.4° |
| C14 | C12 | C15 | H24 | 57.7° | 64.6° |
| C15 | C12 | C13 | C16 | 50.8° | 174.5° |
| C15 | C12 | C13 | O15 | 70.6° | 54.5° |
| C15 | C12 | C11 | H18 | 68.0° | 180.0° |
| C15 | C12 | C11 | H17 | 51.6° | 60.0° |
| C15 | C12 | C13 | H05 | 169.9° | 65.5° |
| C15 | C12 | C14 | H20 | 61.9° | 52.5° |
| C15 | C12 | C14 | H21 | 58.1° | 67.4° |
| C15 | C12 | C14 | H19 | 178.1° | 172.5° |
| C12 | C15 | H22 | H23 | 120.0° | 120.0° |
| C12 | C15 | H22 | H24 | 120.0° | 120.1° |
| C12 | C15 | H23 | H24 | 120.0° | 120.0° |
| C16 | C13 | O15 | H05 | 116.7° | 119.9° |
| C13 | C16 | N06 | O14 | 178.8° | 179.9° |
| C13 | C16 | N06 | C17 | 179.7° | 175.8° |
| C13 | C16 | N06 | H25 | 0.3° | 4.2° |
| C16 | C13 | O15 | H26 | 55.2° | 60.1° |
| O15 | C13 | C16 | N06 | 41.2° | 170.1° |
| O15 | C13 | C16 | O14 | 137.7° | 10.0° |
| C16 | N06 | C17 | H25 | 180.0° | 180.0° |
| C16 | N06 | C17 | C18 | 116.9° | 180.0° |
| N06 | C16 | C13 | H05 | 158.9° | 50.2° |
| C16 | N06 | C17 | H27 | 3.3° | 60.1° |
| C16 | N06 | C17 | H28 | 122.8° | 60.0° |
| O14 | C16 | N06 | C17 | 0.9° | 4.2° |
| O14 | C16 | C13 | H05 | 20.0° | 129.9° |
| O14 | C16 | N06 | H25 | 179.1° | 175.8° |
| N06 | C17 | C18 | H27 | 120.2° | 119.9° |
| N06 | C17 | C18 | H28 | 120.3° | 120.0° |
| N06 | C17 | C18 | C19 | 160.2° | 180.0° |
| N06 | C17 | H27 | H28 | 119.2° | 120.0° |
| N06 | C17 | C18 | H30 | 40.1° | 60.0° |
| N06 | C17 | C18 | H29 | 79.7° | 60.0° |
| C17 | C18 | C19 | H30 | 120.1° | 120.0° |
| C17 | C18 | C19 | H29 | 120.1° | 120.1° |
| C17 | C18 | C19 | N07 | 118.6° | 180.0° |
| C17 | C18 | C19 | O16 | 61.7° | 0.0° |
| C18 | C17 | H27 | H28 | 119.1° | 120.1° |
| C17 | C18 | H30 | H29 | 119.7° | 120.1° |
| C18 | C17 | N06 | H25 | 63.1° | 0.0° |
| C18 | C19 | N07 | O16 | 179.8° | 180.0° |
| C18 | C19 | N07 | C20 | 179.5° | 180.0° |
| C19 | C18 | C17 | H27 | 79.5° | 60.1° |
| C19 | C18 | C17 | H28 | 39.9° | 60.0° |
| C19 | C18 | H30 | H29 | 119.7° | 120.0° |
| C18 | C19 | N07 | H31 | 0.5° | 0.0° |
| C19 | N07 | C20 | H31 | 180.0° | 180.0° |
| C19 | N07 | C20 | C21 | 91.5° | 180.0° |
| C19 | N07 | C20 | H33 | 148.3° | 60.0° |
| C19 | N07 | C20 | H32 | 28.7° | 60.1° |
| N07 | C19 | C18 | H30 | 121.3° | 60.0° |
| N07 | C19 | C18 | H29 | 1.5° | 60.0° |
| O16 | C19 | N07 | C20 | 0.7° | 0.0° |
| O16 | C19 | C18 | H30 | 58.4° | 120.0° |
| O16 | C19 | C18 | H29 | 178.2° | 120.0° |
| O16 | C19 | N07 | H31 | 179.3° | 180.0° |
| N07 | C20 | C21 | H33 | 120.2° | 120.0° |
| N07 | C20 | C21 | H32 | 120.3° | 120.0° |
| N07 | C20 | C21 | N08 | 120.7° | 180.0° |
| N07 | C20 | H33 | H32 | 119.3° | 120.1° |
| N07 | C20 | C21 | H34 | 119.0° | 60.0° |
| N07 | C20 | C21 | H35 | 0.4° | 60.0° |
| C20 | C21 | N08 | H34 | 120.3° | 120.0° |
| C20 | C21 | N08 | H35 | 120.3° | 120.0° |
| C20 | C21 | N08 | C22 | 179.4° | 180.0° |
| C21 | C20 | H33 | H32 | 119.3° | 120.0° |
| C20 | C21 | H34 | H35 | 119.1° | 120.0° |
| C21 | C20 | N07 | H31 | 88.5° | 0.0° |
| C20 | C21 | N08 | H36 | 0.6° | 0.0° |
| C21 | N08 | C22 | H36 | 180.0° | 179.9° |
| C21 | N08 | C22 | C23 | 179.1° | 180.0° |
| C21 | N08 | C22 | O17 | 2.1° | 0.0° |
| N08 | C21 | C20 | H33 | 0.5° | 60.0° |
| N08 | C21 | C20 | H32 | 119.1° | 60.0° |
| N08 | C21 | H34 | H35 | 119.1° | 120.0° |
| N08 | C22 | C23 | O17 | 176.9° | 180.0° |
| N08 | C22 | C23 | C24 | 157.5° | 173.3° |
| C22 | N08 | C21 | H34 | 59.1° | 60.0° |
| C22 | N08 | C21 | H35 | 60.3° | 59.9° |
| N08 | C22 | C23 | H37 | 35.6° | 53.4° |
| N08 | C22 | C23 | H38 | 80.7° | 66.7° |
| C22 | C23 | C24 | H37 | 121.8° | 120.0° |
| C22 | C23 | C24 | H38 | 121.9° | 120.0° |
| C22 | C23 | C24 | C25 | 132.9° | 61.0° |
| C22 | C23 | C24 | O18 | 8.8° | 59.3° |
| C22 | C23 | C24 | O19 | 111.9° | 178.6° |
| C22 | C23 | H37 | H38 | 114.0° | 120.0° |
| C23 | C22 | N08 | H36 | 0.9° | 0.1° |
| O17 | C22 | C23 | C24 | 25.6° | 6.7° |
| O17 | C22 | C23 | H37 | 147.4° | 126.7° |
| O17 | C22 | C23 | H38 | 96.2° | 113.3° |
| O17 | C22 | N08 | H36 | 177.9° | 180.0° |
| C23 | C24 | C25 | O18 | 124.2° | 120.4° |
| C23 | C24 | C25 | O19 | 116.3° | 120.3° |
| C23 | C24 | O18 | O19 | 119.3° | 119.8° |
| C23 | C24 | C25 | C26 | 133.8° | 98.9° |
| C23 | C24 | C25 | C30 | 45.4° | 80.5° |
| C23 | C24 | O18 | C31 | 100.6° | 119.0° |
| C23 | C24 | O19 | C32 | 100.4° | 95.4° |
| C24 | C23 | H37 | H38 | 113.9° | 120.0° |
| C25 | C24 | O18 | O19 | 116.9° | 119.9° |
| C24 | C25 | C26 | C30 | 179.3° | 179.4° |
| C24 | C25 | C26 | C27 | 179.7° | 180.0° |
| C24 | C25 | C30 | C29 | 179.9° | 179.7° |
| C25 | C24 | O18 | C31 | 135.7° | 120.6° |
| C25 | C24 | O19 | C32 | 141.3° | 144.2° |
| C24 | C25 | C30 | H43 | 0.1° | 0.6° |
| C25 | C24 | C23 | H37 | 11.1° | 58.9° |
| C25 | C24 | C23 | H38 | 105.3° | 179.0° |
| C24 | C25 | C26 | H39 | 0.3° | 0.0° |
| O18 | C24 | C25 | C26 | 102.0° | 21.4° |
| O18 | C24 | C25 | C30 | 78.7° | 159.1° |
| O18 | C24 | O19 | C32 | 21.0° | 24.4° |
| C24 | O18 | C31 | C32 | 9.0° | 21.4° |
| C24 | O18 | C31 | H44 | 110.6° | 97.0° |
| C24 | O18 | C31 | H45 | 128.5° | 139.9° |
| O18 | C24 | C23 | H37 | 113.1° | 179.3° |
| O18 | C24 | C23 | H38 | 130.6° | 60.7° |
| O19 | C24 | C25 | C26 | 17.5° | 140.8° |
| O19 | C24 | C25 | C30 | 161.8° | 39.8° |
| O19 | C24 | O18 | C31 | 18.7° | 0.7° |
| C24 | O19 | C32 | C31 | 14.4° | 36.2° |
| C24 | O19 | C32 | H47 | 133.7° | 82.0° |
| C24 | O19 | C32 | H46 | 105.0° | 154.2° |
| O19 | C24 | C23 | H37 | 126.2° | 61.4° |
| O19 | C24 | C23 | H38 | 9.9° | 58.6° |
| C25 | C26 | C27 | H39 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C26 | C25 | C30 | C29 | 0.8° | 0.8° |
| C25 | C26 | C27 | H40 | 179.8° | 179.8° |
| C26 | C25 | C30 | H43 | 179.2° | 180.0° |
| C30 | C25 | C26 | C27 | 0.5° | 0.6° |
| C25 | C30 | C29 | C28 | 0.7° | 0.6° |
| C25 | C30 | C29 | H43 | 180.0° | 179.2° |
| C30 | C25 | C26 | H39 | 179.5° | 179.4° |
| C25 | C30 | C29 | H42 | 179.3° | 179.5° |
| C26 | C27 | C28 | H40 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.1° | 0.1° |
| C26 | C27 | C28 | H41 | 179.9° | 179.7° |
| C27 | C28 | C29 | H41 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.4° | 0.1° |
| C28 | C27 | C26 | H39 | 179.8° | 179.9° |
| C27 | C28 | C29 | H42 | 179.7° | 180.0° |
| C28 | C29 | C30 | H42 | 180.0° | 179.9° |
| C29 | C28 | C27 | H40 | 179.9° | 180.0° |
| C28 | C29 | C30 | H43 | 179.3° | 179.8° |
| C30 | C29 | C28 | H41 | 179.6° | 180.0° |
| O18 | C31 | C32 | O19 | 3.5° | 35.6° |
| O18 | C31 | C32 | H44 | 119.6° | 118.4° |
| O18 | C31 | C32 | H45 | 119.6° | 118.6° |
| O18 | C31 | H44 | H45 | 121.3° | 123.2° |
| O18 | C31 | C32 | H47 | 122.9° | 82.5° |
| O18 | C31 | C32 | H46 | 115.8° | 153.7° |
| O19 | C32 | C31 | H47 | 119.4° | 118.1° |
| O19 | C32 | C31 | H46 | 119.4° | 118.1° |
| O19 | C32 | C31 | H44 | 123.1° | 82.8° |
| O19 | C32 | C31 | H45 | 116.1° | 154.2° |
| O19 | C32 | H47 | H46 | 121.9° | 123.8° |
| C32 | C31 | H44 | H45 | 121.3° | 123.1° |
| C31 | C32 | H47 | H46 | 121.9° | 123.8° |
| H05 | C13 | O15 | H26 | 61.5° | 180.0° |
| H20 | C14 | H21 | H19 | 120.0° | 119.9° |
| H22 | C15 | H23 | H24 | 120.0° | 120.0° |
| H33 | C20 | C21 | H34 | 120.8° | 60.0° |
| H33 | C20 | C21 | H35 | 119.8° | 180.0° |
| H33 | C20 | N07 | H31 | 31.7° | 119.9° |
| H32 | C20 | C21 | H34 | 1.2° | 180.0° |
| H32 | C20 | C21 | H35 | 120.6° | 60.0° |
| H32 | C20 | N07 | H31 | 151.2° | 120.0° |
| H34 | C21 | N08 | H36 | 120.9° | 120.1° |
| H35 | C21 | N08 | H36 | 119.7° | 120.0° |
| H40 | C27 | C26 | H39 | 0.2° | 0.2° |
| H40 | C27 | C28 | H41 | 0.1° | 0.1° |
| H43 | C30 | C29 | H42 | 0.7° | 0.3° |
| H44 | C31 | C32 | H47 | 117.6° | 159.1° |
| H44 | C31 | C32 | H46 | 3.7° | 35.3° |
| H45 | C31 | C32 | H47 | 3.3° | 36.1° |
| H45 | C31 | C32 | H46 | 124.6° | 87.7° |
| H07 | C01 | C02 | H01 | 8.5° | 65.5° |
| H06 | C01 | C02 | H01 | 110.5° | 174.5° |
| H01 | C02 | C05 | H04 | 88.4° | 123.9° |
| H02 | C03 | C04 | H03 | 154.3° | 160.1° |
| H03 | C04 | C05 | H04 | 40.9° | 21.3° |
| H03 | C04 | O09 | H10 | 57.7° | 62.2° |
| H27 | C17 | C18 | H30 | 160.4° | 180.0° |
| H27 | C17 | C18 | H29 | 40.6° | 59.9° |
| H27 | C17 | N06 | H25 | 176.7° | 120.0° |
| H28 | C17 | C18 | H30 | 80.2° | 59.9° |
| H28 | C17 | C18 | H29 | 160.0° | 179.9° |
| H28 | C17 | N06 | H25 | 57.2° | 120.0° |
| H41 | C28 | C29 | H42 | 0.4° | 0.1° |
