U5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | N23 | sing | 1.47Å | 1.45Å | |
| C26 | F27 | sing | 1.35Å | 1.36Å | |
| N23 | C22 | sing | 1.35Å | 1.45Å | |
| O32 | C22 | doub | 1.21Å | 1.18Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C44 | sing | 1.53Å | 1.53Å | |
| C21 | N20 | sing | 1.48Å | 1.45Å | |
| C44 | C43 | sing | 1.51Å | 1.53Å | |
| C14 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| N20 | C19 | sing | 1.36Å | 1.46Å | |
| C45 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| O33 | C19 | doub | 1.21Å | 1.18Å | |
| C19 | C04 | sing | 1.51Å | 1.52Å | |
| C46 | C40 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C42 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.47Å | 1.33Å | |
| C08 | C15 | sing | 1.54Å | 1.61Å | |
| C04 | N03 | sing | 1.48Å | 1.44Å | |
| C06 | N07 | sing | 1.35Å | 1.46Å | |
| C06 | O18 | doub | 1.21Å | 1.18Å | |
| N07 | C17 | sing | 1.47Å | 1.64Å | |
| C40 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | O39 | sing | 1.35Å | 1.40Å | |
| C15 | C16 | sing | 1.55Å | 1.55Å | |
| C17 | C16 | sing | 1.55Å | 1.37Å | |
| N03 | C02 | sing | 1.37Å | 1.44Å | |
| O39 | C38 | sing | 1.35Å | 1.41Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | C34 | sing | 1.51Å | 1.53Å | |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C47 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C36 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| C42 | H29 | sing | 1.08Å | 1.08Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C45 | H32 | sing | 1.08Å | 1.08Å | |
| C46 | H33 | sing | 1.08Å | 1.08Å | |
| C47 | H34 | sing | 1.08Å | 1.08Å | |
| C48 | H35 | sing | 1.08Å | 1.08Å | |
| C49 | H36 | sing | 1.08Å | 1.08Å | |
| N03 | H37 | sing | 0.97Å | 1.00Å | |
| N20 | H38 | sing | 0.97Å | 1.00Å | |
| N23 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 120.3° | 120.0° |
| C30 | C31 | C25 | 120.0° | 120.0° |
| C31 | C30 | H21 | 119.9° | 120.0° |
| C30 | C31 | H22 | 120.0° | 120.0° |
| C30 | C29 | C28 | 119.8° | 120.0° |
| C30 | C29 | H20 | 120.1° | 119.9° |
| C29 | C30 | H21 | 119.9° | 120.0° |
| C31 | C25 | C24 | 120.2° | 120.0° |
| C31 | C25 | C26 | 119.8° | 120.0° |
| C25 | C31 | H22 | 120.0° | 120.0° |
| C29 | C28 | C26 | 119.9° | 120.0° |
| C29 | C28 | H10 | 120.0° | 120.0° |
| C28 | C29 | H20 | 120.1° | 120.0° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C25 | C24 | N23 | 109.2° | 109.4° |
| C25 | C24 | H8 | 109.5° | 109.5° |
| C25 | C24 | H9 | 109.5° | 109.5° |
| C25 | C26 | C28 | 120.3° | 119.9° |
| C25 | C26 | F27 | 119.5° | 120.0° |
| C28 | C26 | F27 | 120.2° | 120.1° |
| C26 | C28 | H10 | 120.0° | 120.0° |
| C24 | N23 | C22 | 120.0° | 120.0° |
| N23 | C24 | H8 | 109.5° | 109.4° |
| N23 | C24 | H9 | 109.5° | 109.5° |
| C24 | N23 | H39 | 120.0° | 120.0° |
| N23 | C22 | O32 | 120.8° | 120.0° |
| N23 | C22 | C21 | 119.8° | 120.0° |
| C22 | N23 | H39 | 120.0° | 120.0° |
| O32 | C22 | C21 | 119.3° | 120.0° |
| C13 | C12 | C11 | 120.1° | 120.0° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C12 | C13 | H2 | 120.0° | 120.0° |
| C13 | C12 | H16 | 119.9° | 119.9° |
| C12 | C11 | C10 | 119.7° | 120.1° |
| C12 | C11 | H15 | 120.2° | 120.0° |
| C11 | C12 | H16 | 119.9° | 120.1° |
| C22 | C21 | C44 | 113.7° | 109.5° |
| C22 | C21 | N20 | 105.2° | 109.6° |
| C22 | C21 | H7 | 109.3° | 109.7° |
| C13 | C14 | C09 | 119.8° | 120.0° |
| C14 | C13 | H2 | 119.9° | 120.0° |
| C13 | C14 | H17 | 120.1° | 120.0° |
| C11 | C10 | C09 | 120.3° | 120.0° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C11 | H15 | 120.1° | 120.0° |
| C44 | C21 | N20 | 109.1° | 108.8° |
| C21 | C44 | C43 | 106.1° | 109.8° |
| C44 | C21 | H7 | 109.1° | 109.6° |
| C21 | C44 | H30 | 110.3° | 109.5° |
| C21 | C44 | H31 | 110.3° | 109.4° |
| C21 | N20 | C19 | 120.2° | 116.0° |
| N20 | C21 | H7 | 110.3° | 109.6° |
| C21 | N20 | H38 | 119.9° | 122.0° |
| C44 | C43 | C45 | 118.4° | 119.8° |
| C44 | C43 | C42 | 121.0° | 120.2° |
| C43 | C44 | H30 | 110.3° | 109.4° |
| C43 | C44 | H31 | 110.3° | 109.4° |
| C14 | C09 | C10 | 119.9° | 120.0° |
| C14 | C09 | C08 | 121.0° | 120.0° |
| C09 | C14 | H17 | 120.1° | 120.0° |
| C10 | C09 | C08 | 119.0° | 120.0° |
| C09 | C10 | H1 | 119.9° | 120.0° |
| N20 | C19 | O33 | 120.9° | 120.2° |
| N20 | C19 | C04 | 117.2° | 119.5° |
| C19 | N20 | H38 | 119.9° | 122.0° |
| C43 | C45 | C46 | 119.8° | 120.8° |
| C45 | C43 | C42 | 120.6° | 120.1° |
| C43 | C45 | H32 | 120.1° | 120.0° |
| C45 | C46 | C40 | 120.1° | 119.3° |
| C46 | C45 | H32 | 120.1° | 119.3° |
| C45 | C46 | H33 | 120.0° | 120.0° |
| C09 | C08 | N07 | 113.7° | 109.9° |
| C09 | C08 | C15 | 109.5° | 109.8° |
| C09 | C08 | H14 | 108.4° | 109.9° |
| C43 | C42 | C41 | 119.6° | 119.4° |
| C43 | C42 | H29 | 120.2° | 120.0° |
| O33 | C19 | C04 | 121.9° | 120.3° |
| C19 | C04 | C05 | 108.4° | 109.7° |
| C19 | C04 | N03 | 114.0° | 108.3° |
| C19 | C04 | H11 | 109.0° | 109.7° |
| C46 | C40 | C41 | 120.1° | 119.8° |
| C46 | C40 | O39 | 117.9° | 119.7° |
| C40 | C46 | H33 | 119.9° | 120.7° |
| C04 | C05 | C06 | 115.5° | 109.5° |
| C05 | C04 | N03 | 106.4° | 109.7° |
| C05 | C04 | H11 | 108.9° | 109.7° |
| C04 | C05 | H12 | 107.9° | 109.5° |
| C04 | C05 | H13 | 107.9° | 109.5° |
| C05 | C06 | N07 | 119.9° | 120.0° |
| C05 | C06 | O18 | 119.4° | 120.0° |
| C06 | C05 | H12 | 107.9° | 109.5° |
| C06 | C05 | H13 | 107.9° | 109.5° |
| C42 | C41 | C40 | 119.8° | 120.6° |
| C42 | C41 | H28 | 120.1° | 120.1° |
| C41 | C42 | H29 | 120.2° | 120.6° |
| N07 | C08 | C15 | 106.1° | 107.3° |
| C08 | N07 | C06 | 126.4° | 125.6° |
| C08 | N07 | C17 | 108.7° | 108.7° |
| N07 | C08 | H14 | 111.3° | 109.9° |
| C08 | C15 | C16 | 104.7° | 102.9° |
| C08 | C15 | H3 | 110.6° | 110.7° |
| C08 | C15 | H4 | 110.6° | 110.9° |
| C15 | C08 | H14 | 107.6° | 110.0° |
| C04 | N03 | C02 | 118.2° | 114.5° |
| N03 | C04 | H11 | 110.1° | 109.7° |
| C04 | N03 | H37 | 120.9° | 122.8° |
| N07 | C06 | O18 | 120.7° | 120.0° |
| C06 | N07 | C17 | 124.9° | 125.7° |
| N07 | C17 | C16 | 108.3° | 104.8° |
| N07 | C17 | H5 | 109.7° | 110.3° |
| N07 | C17 | H6 | 109.8° | 110.5° |
| C41 | C40 | O39 | 122.0° | 120.5° |
| C40 | C41 | H28 | 120.1° | 119.3° |
| C40 | O39 | C38 | 114.5° | 121.3° |
| C15 | C16 | C17 | 106.6° | 101.6° |
| C16 | C15 | H3 | 110.7° | 110.7° |
| C16 | C15 | H4 | 110.6° | 110.7° |
| C15 | C16 | H18 | 110.2° | 111.0° |
| C15 | C16 | H19 | 110.2° | 111.0° |
| C16 | C17 | H5 | 109.8° | 110.4° |
| C16 | C17 | H6 | 109.7° | 110.4° |
| C17 | C16 | H18 | 110.2° | 111.0° |
| C17 | C16 | H19 | 110.2° | 111.0° |
| N03 | C02 | O01 | 118.7° | 120.7° |
| N03 | C02 | C34 | 119.1° | 118.6° |
| C02 | N03 | H37 | 120.9° | 122.8° |
| O39 | C38 | C37 | 122.4° | 121.4° |
| O39 | C38 | C47 | 118.2° | 119.0° |
| O01 | C02 | C34 | 122.3° | 120.7° |
| C02 | C34 | C35 | 111.7° | 109.1° |
| C02 | C34 | H23 | 108.9° | 109.6° |
| C02 | C34 | H24 | 108.9° | 109.5° |
| C38 | C37 | C36 | 119.8° | 120.0° |
| C37 | C38 | C47 | 119.5° | 119.7° |
| C38 | C37 | H27 | 120.1° | 120.0° |
| C37 | C36 | C35 | 119.8° | 120.1° |
| C37 | C36 | C49 | 120.6° | 120.1° |
| C36 | C37 | H27 | 120.1° | 120.0° |
| C38 | C47 | C48 | 120.7° | 120.1° |
| C38 | C47 | H34 | 119.6° | 120.0° |
| C36 | C35 | C34 | 107.6° | 109.3° |
| C35 | C36 | C49 | 119.6° | 119.8° |
| C36 | C35 | H25 | 109.9° | 109.5° |
| C36 | C35 | H26 | 109.9° | 109.5° |
| C35 | C34 | H23 | 108.9° | 109.5° |
| C35 | C34 | H24 | 108.9° | 109.6° |
| C34 | C35 | H25 | 110.0° | 109.5° |
| C34 | C35 | H26 | 109.9° | 109.5° |
| C36 | C49 | C48 | 119.6° | 120.2° |
| C36 | C49 | H36 | 120.2° | 119.9° |
| C47 | C48 | C49 | 119.7° | 119.9° |
| C48 | C47 | H34 | 119.7° | 119.9° |
| C47 | C48 | H35 | 120.1° | 120.1° |
| C49 | C48 | H35 | 120.1° | 120.0° |
| C48 | C49 | H36 | 120.2° | 119.9° |
| H3 | C15 | H4 | 109.5° | 110.7° |
| H5 | C17 | H6 | 109.5° | 110.3° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H12 | C05 | H13 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 110.9° |
| H23 | C34 | H24 | 109.4° | 109.6° |
| H25 | C35 | H26 | 109.5° | 109.6° |
| H30 | C44 | H31 | 109.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H21 | 180.0° | 179.8° |
| C30 | C31 | C25 | H22 | 180.0° | 179.7° |
| C31 | C30 | C29 | C28 | 0.4° | 0.2° |
| C30 | C31 | C25 | C24 | 180.0° | 180.0° |
| C30 | C31 | C25 | C26 | 0.2° | 0.1° |
| C31 | C30 | C29 | H20 | 179.6° | 179.7° |
| C29 | C30 | C31 | C25 | 0.1° | 0.3° |
| C30 | C29 | C28 | H20 | 180.0° | 179.9° |
| C30 | C29 | C28 | C26 | 0.7° | 0.1° |
| C30 | C29 | C28 | H10 | 179.3° | 180.0° |
| C29 | C30 | C31 | H22 | 179.9° | 180.0° |
| C31 | C25 | C24 | C26 | 179.8° | 179.9° |
| C31 | C25 | C26 | C28 | 0.1° | 0.2° |
| C31 | C25 | C24 | N23 | 98.2° | 100.1° |
| C31 | C25 | C26 | F27 | 179.7° | 179.9° |
| C31 | C25 | C24 | H8 | 141.8° | 19.9° |
| C31 | C25 | C24 | H9 | 21.7° | 139.9° |
| C25 | C31 | C30 | H21 | 179.9° | 179.9° |
| C29 | C28 | C26 | C25 | 0.5° | 0.3° |
| C29 | C28 | C26 | H10 | 180.0° | 179.9° |
| C29 | C28 | C26 | F27 | 179.3° | 180.0° |
| C28 | C29 | C30 | H21 | 179.6° | 180.0° |
| C24 | C25 | C26 | C28 | 179.7° | 179.7° |
| C25 | C24 | N23 | H8 | 119.9° | 120.0° |
| C25 | C24 | N23 | H9 | 120.0° | 120.0° |
| C24 | C25 | C26 | F27 | 0.5° | 0.1° |
| C25 | C24 | N23 | C22 | 136.9° | 180.0° |
| C25 | C24 | H8 | H9 | 120.1° | 120.0° |
| C24 | C25 | C31 | H22 | 0.0° | 0.3° |
| C25 | C24 | N23 | H39 | 43.1° | 0.0° |
| C25 | C26 | C28 | F27 | 179.8° | 179.8° |
| C26 | C25 | C24 | N23 | 81.5° | 80.1° |
| C26 | C25 | C24 | H8 | 38.4° | 160.0° |
| C26 | C25 | C24 | H9 | 158.5° | 39.9° |
| C25 | C26 | C28 | H10 | 179.5° | 179.8° |
| C26 | C25 | C31 | H22 | 179.8° | 179.8° |
| C26 | C28 | C29 | H20 | 179.3° | 180.0° |
| C24 | N23 | C22 | H39 | 180.0° | 179.9° |
| C24 | N23 | C22 | O32 | 0.8° | 4.1° |
| C24 | N23 | C22 | C21 | 178.8° | 175.9° |
| N23 | C24 | H8 | H9 | 120.1° | 120.0° |
| F27 | C26 | C28 | H10 | 0.7° | 0.1° |
| N23 | C22 | O32 | C21 | 178.0° | 180.0° |
| N23 | C22 | C21 | C44 | 109.6° | 83.9° |
| N23 | C22 | C21 | N20 | 131.1° | 35.3° |
| N23 | C22 | C21 | H7 | 12.7° | 155.7° |
| C22 | N23 | C24 | H8 | 16.9° | 60.1° |
| C22 | N23 | C24 | H9 | 103.1° | 60.0° |
| O32 | C22 | C21 | C44 | 72.5° | 96.1° |
| O32 | C22 | C21 | N20 | 46.9° | 144.7° |
| O32 | C22 | C21 | H7 | 165.3° | 24.3° |
| O32 | C22 | N23 | H39 | 179.1° | 175.8° |
| C13 | C12 | C11 | H16 | 180.0° | 179.7° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C12 | C13 | C14 | C09 | 0.2° | 0.0° |
| C13 | C12 | C11 | H15 | 179.9° | 180.0° |
| C12 | C13 | C14 | H17 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C12 | C11 | C10 | H15 | 180.0° | 179.7° |
| C12 | C11 | C10 | C09 | 0.0° | 0.1° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C11 | C12 | C13 | H2 | 179.8° | 179.8° |
| C22 | C21 | C44 | N20 | 117.0° | 119.7° |
| C22 | C21 | C44 | H7 | 122.3° | 120.4° |
| C22 | C21 | N20 | H7 | 117.7° | 120.5° |
| C22 | C21 | C44 | C43 | 171.3° | 73.3° |
| C22 | C21 | N20 | C19 | 123.4° | 18.7° |
| C22 | C21 | C44 | H30 | 69.3° | 46.8° |
| C22 | C21 | C44 | H31 | 51.8° | 166.6° |
| C22 | C21 | N20 | H38 | 56.5° | 161.4° |
| C21 | C22 | N23 | H39 | 1.2° | 4.2° |
| C13 | C14 | C09 | H17 | 180.0° | 180.0° |
| C13 | C14 | C09 | C10 | 0.1° | 0.3° |
| C13 | C14 | C09 | C08 | 179.9° | 180.0° |
| C14 | C13 | C12 | H16 | 179.9° | 180.0° |
| C11 | C10 | C09 | C14 | 0.0° | 0.2° |
| C11 | C10 | C09 | H1 | 180.0° | 179.9° |
| C11 | C10 | C09 | C08 | 180.0° | 180.0° |
| C10 | C11 | C12 | H16 | 179.9° | 180.0° |
| C44 | C21 | N20 | H7 | 119.9° | 119.8° |
| C21 | C44 | C43 | H30 | 119.5° | 120.2° |
| C21 | C44 | C43 | H31 | 119.5° | 120.1° |
| C44 | C21 | N20 | C19 | 114.2° | 138.4° |
| C21 | C44 | C43 | C45 | 74.4° | 126.6° |
| C21 | C44 | C43 | C42 | 103.4° | 53.1° |
| C21 | C44 | H30 | H31 | 121.6° | 119.8° |
| C44 | C21 | N20 | H38 | 65.8° | 41.7° |
| N20 | C21 | C44 | C43 | 71.7° | 46.4° |
| C21 | N20 | C19 | H38 | 180.0° | 179.9° |
| C21 | N20 | C19 | O33 | 0.8° | 1.8° |
| C21 | N20 | C19 | C04 | 178.5° | 178.2° |
| N20 | C21 | C44 | H30 | 47.8° | 166.6° |
| N20 | C21 | C44 | H31 | 168.8° | 73.7° |
| C44 | C43 | C45 | C42 | 177.8° | 179.7° |
| C44 | C43 | C45 | C46 | 179.1° | 179.4° |
| C44 | C43 | C42 | C41 | 179.6° | 178.8° |
| C43 | C44 | C21 | H7 | 48.9° | 166.3° |
| C44 | C43 | C42 | H29 | 0.4° | 1.2° |
| C43 | C44 | H30 | H31 | 121.6° | 119.8° |
| C44 | C43 | C45 | H32 | 0.9° | 1.2° |
| C14 | C09 | C10 | C08 | 180.0° | 179.8° |
| C14 | C09 | C08 | N07 | 13.3° | 40.2° |
| C14 | C09 | C08 | C15 | 105.1° | 77.6° |
| C14 | C09 | C10 | H1 | 180.0° | 179.7° |
| C09 | C14 | C13 | H2 | 179.8° | 180.0° |
| C14 | C09 | C08 | H14 | 137.7° | 161.3° |
| C10 | C09 | C08 | N07 | 166.7° | 140.0° |
| C10 | C09 | C08 | C15 | 74.9° | 102.2° |
| C10 | C09 | C08 | H14 | 42.3° | 18.9° |
| C09 | C10 | C11 | H15 | 180.0° | 179.8° |
| C10 | C09 | C14 | H17 | 179.9° | 179.8° |
| N20 | C19 | O33 | C04 | 179.2° | 180.0° |
| N20 | C19 | C04 | C05 | 86.9° | 11.2° |
| N20 | C19 | C04 | N03 | 154.9° | 131.0° |
| C19 | N20 | C21 | H7 | 5.7° | 101.8° |
| N20 | C19 | C04 | H11 | 31.5° | 109.4° |
| C43 | C45 | C46 | H32 | 180.0° | 179.4° |
| C43 | C45 | C46 | C40 | 1.0° | 1.0° |
| C45 | C43 | C42 | C41 | 1.8° | 1.4° |
| C45 | C43 | C42 | H29 | 178.2° | 178.5° |
| C45 | C43 | C44 | H30 | 166.1° | 113.2° |
| C45 | C43 | C44 | H31 | 45.1° | 6.6° |
| C43 | C45 | C46 | H33 | 179.0° | 179.7° |
| C46 | C45 | C43 | C42 | 1.2° | 0.9° |
| C45 | C46 | C40 | H33 | 180.0° | 179.2° |
| C45 | C46 | C40 | C41 | 1.4° | 2.4° |
| C45 | C46 | C40 | O39 | 179.3° | 175.2° |
| C09 | C08 | N07 | C15 | 120.4° | 119.4° |
| C09 | C08 | N07 | H14 | 122.8° | 121.1° |
| C09 | C08 | C15 | H14 | 117.6° | 121.1° |
| C09 | C08 | N07 | C06 | 76.2° | 61.7° |
| C09 | C08 | N07 | C17 | 104.3° | 118.3° |
| C09 | C08 | C15 | C16 | 99.6° | 141.6° |
| C08 | C09 | C10 | H1 | 0.0° | 0.1° |
| C09 | C08 | C15 | H3 | 141.2° | 23.3° |
| C09 | C08 | C15 | H4 | 19.7° | 100.0° |
| C08 | C09 | C14 | H17 | 0.1° | 0.0° |
| C43 | C42 | C41 | H29 | 180.0° | 179.9° |
| C43 | C42 | C41 | C40 | 2.1° | 0.0° |
| C43 | C42 | C41 | H28 | 177.9° | 179.8° |
| C42 | C43 | C44 | H30 | 16.1° | 67.0° |
| C42 | C43 | C44 | H31 | 137.1° | 173.2° |
| C42 | C43 | C45 | H32 | 178.7° | 178.5° |
| O33 | C19 | C04 | C05 | 92.3° | 168.7° |
| O33 | C19 | C04 | N03 | 25.9° | 49.0° |
| O33 | C19 | C04 | H11 | 149.3° | 70.6° |
| O33 | C19 | N20 | H38 | 179.2° | 178.2° |
| C19 | C04 | C05 | N03 | 122.9° | 118.9° |
| C19 | C04 | C05 | H11 | 118.4° | 120.6° |
| C19 | C04 | C05 | C06 | 162.0° | 73.4° |
| C19 | C04 | N03 | H11 | 122.8° | 119.7° |
| C19 | C04 | N03 | C02 | 87.5° | 103.6° |
| C19 | C04 | C05 | H12 | 77.2° | 166.6° |
| C19 | C04 | C05 | H13 | 41.1° | 46.6° |
| C19 | C04 | N03 | H37 | 92.5° | 76.6° |
| C04 | C19 | N20 | H38 | 1.5° | 1.8° |
| C46 | C40 | C41 | C42 | 1.9° | 1.9° |
| C46 | C40 | C41 | O39 | 177.9° | 177.6° |
| C46 | C40 | O39 | C38 | 117.1° | 110.1° |
| C46 | C40 | C41 | H28 | 178.1° | 177.9° |
| C40 | C46 | C45 | H32 | 179.0° | 179.5° |
| C04 | C05 | C06 | H12 | 120.9° | 120.0° |
| C04 | C05 | C06 | H13 | 120.9° | 120.0° |
| C05 | C04 | N03 | H11 | 117.9° | 120.6° |
| C04 | C05 | C06 | N07 | 139.2° | 180.0° |
| C04 | C05 | C06 | O18 | 41.2° | 0.0° |
| C05 | C04 | N03 | C02 | 153.2° | 16.2° |
| C04 | C05 | H12 | H13 | 117.3° | 120.0° |
| C05 | C04 | N03 | H37 | 26.8° | 163.7° |
| C05 | C06 | N07 | C08 | 0.9° | 180.0° |
| C06 | C05 | C04 | N03 | 75.1° | 167.7° |
| C05 | C06 | N07 | O18 | 179.6° | 180.0° |
| C05 | C06 | N07 | C17 | 179.6° | 0.0° |
| C06 | C05 | C04 | H11 | 43.5° | 47.2° |
| C06 | C05 | H12 | H13 | 117.2° | 120.0° |
| C42 | C41 | C40 | H28 | 180.0° | 179.8° |
| C42 | C41 | C40 | O39 | 179.8° | 175.6° |
| N07 | C08 | C15 | H14 | 119.3° | 119.5° |
| C08 | N07 | C06 | C17 | 179.4° | 180.0° |
| C08 | N07 | C06 | O18 | 179.5° | 0.0° |
| N07 | C08 | C15 | C16 | 23.5° | 22.2° |
| C08 | N07 | C17 | C16 | 2.8° | 24.2° |
| N07 | C08 | C15 | H3 | 95.7° | 96.2° |
| N07 | C08 | C15 | H4 | 142.8° | 140.6° |
| C08 | N07 | C17 | H5 | 117.0° | 143.0° |
| C08 | N07 | C17 | H6 | 122.6° | 94.7° |
| C15 | C08 | N07 | C06 | 163.4° | 178.9° |
| C15 | C08 | N07 | C17 | 16.1° | 1.1° |
| C08 | C15 | C16 | H3 | 119.2° | 118.3° |
| C08 | C15 | C16 | H4 | 119.2° | 118.5° |
| C08 | C15 | C16 | C17 | 21.6° | 35.5° |
| C08 | C15 | H3 | H4 | 122.2° | 123.4° |
| C08 | C15 | C16 | H18 | 141.1° | 82.6° |
| C08 | C15 | C16 | H19 | 97.9° | 153.6° |
| C04 | N03 | C02 | H37 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 1.9° | 0.2° |
| C04 | N03 | C02 | C34 | 178.7° | 179.9° |
| N03 | C04 | C05 | H12 | 45.8° | 47.7° |
| N03 | C04 | C05 | H13 | 164.0° | 72.2° |
| C06 | N07 | C17 | C16 | 176.8° | 155.8° |
| C06 | N07 | C17 | H5 | 63.4° | 37.0° |
| C06 | N07 | C17 | H6 | 57.0° | 85.2° |
| N07 | C06 | C05 | H12 | 18.3° | 60.0° |
| N07 | C06 | C05 | H13 | 99.9° | 60.0° |
| C06 | N07 | C08 | H14 | 46.6° | 59.4° |
| O18 | C06 | N07 | C17 | 0.0° | 180.0° |
| O18 | C06 | C05 | H12 | 162.0° | 120.0° |
| O18 | C06 | C05 | H13 | 79.7° | 120.1° |
| N07 | C17 | C16 | C15 | 12.6° | 37.0° |
| N07 | C17 | C16 | H5 | 119.8° | 118.8° |
| N07 | C17 | C16 | H6 | 119.8° | 119.0° |
| N07 | C17 | H5 | H6 | 120.6° | 122.4° |
| C17 | N07 | C08 | H14 | 132.9° | 120.6° |
| N07 | C17 | C16 | H18 | 132.1° | 81.0° |
| N07 | C17 | C16 | H19 | 107.0° | 155.1° |
| C41 | C40 | O39 | C38 | 65.0° | 72.3° |
| C40 | C41 | C42 | H29 | 177.9° | 179.9° |
| C41 | C40 | C46 | H33 | 178.6° | 178.3° |
| C40 | O39 | C38 | C37 | 21.3° | 3.9° |
| C40 | O39 | C38 | C47 | 159.2° | 176.3° |
| O39 | C40 | C41 | H28 | 0.2° | 4.6° |
| O39 | C40 | C46 | H33 | 0.7° | 4.1° |
| C15 | C16 | C17 | H18 | 119.5° | 118.0° |
| C15 | C16 | C17 | H19 | 119.6° | 118.1° |
| C16 | C15 | H3 | H4 | 122.2° | 123.1° |
| C15 | C16 | C17 | H5 | 132.4° | 155.8° |
| C15 | C16 | C17 | H6 | 107.3° | 82.0° |
| C16 | C15 | C08 | H14 | 142.8° | 97.3° |
| C15 | C16 | H18 | H19 | 121.3° | 123.9° |
| C17 | C16 | C15 | H3 | 97.6° | 82.9° |
| C17 | C16 | C15 | H4 | 140.9° | 154.0° |
| C16 | C17 | H5 | H6 | 120.5° | 122.2° |
| C17 | C16 | H18 | H19 | 121.3° | 123.9° |
| N03 | C02 | O01 | C34 | 179.4° | 179.7° |
| N03 | C02 | C34 | C35 | 70.1° | 158.9° |
| C02 | N03 | C04 | H11 | 35.3° | 136.8° |
| N03 | C02 | C34 | H23 | 50.3° | 39.0° |
| N03 | C02 | C34 | H24 | 169.5° | 81.2° |
| O39 | C38 | C37 | C47 | 179.5° | 179.7° |
| O39 | C38 | C37 | C36 | 179.8° | 179.7° |
| O39 | C38 | C47 | C48 | 179.9° | 179.4° |
| O39 | C38 | C37 | H27 | 0.3° | 0.3° |
| O39 | C38 | C47 | H34 | 0.1° | 0.5° |
| O01 | C02 | C34 | C35 | 109.3° | 20.9° |
| O01 | C02 | C34 | H23 | 130.4° | 140.7° |
| O01 | C02 | C34 | H24 | 11.1° | 99.0° |
| O01 | C02 | N03 | H37 | 178.1° | 179.7° |
| C02 | C34 | C35 | C36 | 88.7° | 93.9° |
| C02 | C34 | C35 | H23 | 120.4° | 119.9° |
| C02 | C34 | C35 | H24 | 120.4° | 119.9° |
| C02 | C34 | H23 | H24 | 119.0° | 120.2° |
| C02 | C34 | C35 | H25 | 151.6° | 26.0° |
| C02 | C34 | C35 | H26 | 31.0° | 146.1° |
| C34 | C02 | N03 | H37 | 1.3° | 0.0° |
| C38 | C37 | C36 | H27 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 179.0° | 179.7° |
| C38 | C37 | C36 | C49 | 0.2° | 0.3° |
| C37 | C38 | C47 | C48 | 0.4° | 0.3° |
| C37 | C38 | C47 | H34 | 179.7° | 179.7° |
| C36 | C37 | C38 | C47 | 0.3° | 0.1° |
| C37 | C36 | C35 | C49 | 178.8° | 180.0° |
| C37 | C36 | C35 | C34 | 85.8° | 45.7° |
| C37 | C36 | C49 | C48 | 0.5° | 0.3° |
| C37 | C36 | C35 | H25 | 154.5° | 74.2° |
| C37 | C36 | C35 | H26 | 33.9° | 165.6° |
| C37 | C36 | C49 | H36 | 179.5° | 179.6° |
| C38 | C47 | C48 | H34 | 180.0° | 180.0° |
| C38 | C47 | C48 | C49 | 0.0° | 0.3° |
| C47 | C38 | C37 | H27 | 179.8° | 179.9° |
| C38 | C47 | C48 | H35 | 180.0° | 179.8° |
| C36 | C35 | C34 | H25 | 119.7° | 119.9° |
| C36 | C35 | C34 | H26 | 119.7° | 119.9° |
| C35 | C36 | C49 | C48 | 179.3° | 179.7° |
| C36 | C35 | C34 | H23 | 151.0° | 146.1° |
| C36 | C35 | C34 | H24 | 31.7° | 26.0° |
| C36 | C35 | H25 | H26 | 120.8° | 120.1° |
| C35 | C36 | C37 | H27 | 1.0° | 0.3° |
| C35 | C36 | C49 | H36 | 0.7° | 0.4° |
| C34 | C35 | C36 | C49 | 93.0° | 134.3° |
| C35 | C34 | H23 | H24 | 119.0° | 120.2° |
| C34 | C35 | H25 | H26 | 120.9° | 120.1° |
| C36 | C49 | C48 | C47 | 0.4° | 0.1° |
| C36 | C49 | C48 | H36 | 180.0° | 179.9° |
| C49 | C36 | C35 | H25 | 26.7° | 105.8° |
| C49 | C36 | C35 | H26 | 147.3° | 14.4° |
| C49 | C36 | C37 | H27 | 179.8° | 179.7° |
| C36 | C49 | C48 | H35 | 179.6° | 179.9° |
| C47 | C48 | C49 | H35 | 180.0° | 179.9° |
| C47 | C48 | C49 | H36 | 179.6° | 179.9° |
| C49 | C48 | C47 | H34 | 180.0° | 179.8° |
| H1 | C10 | C11 | H15 | 0.0° | 0.3° |
| H2 | C13 | C12 | H16 | 0.1° | 0.0° |
| H2 | C13 | C14 | H17 | 0.2° | 0.0° |
| H3 | C15 | C08 | H14 | 23.6° | 144.3° |
| H3 | C15 | C16 | H18 | 21.9° | 159.1° |
| H3 | C15 | C16 | H19 | 142.8° | 35.2° |
| H4 | C15 | C08 | H14 | 97.9° | 21.1° |
| H4 | C15 | C16 | H18 | 99.6° | 36.0° |
| H4 | C15 | C16 | H19 | 21.3° | 87.9° |
| H5 | C17 | C16 | H18 | 108.1° | 37.8° |
| H5 | C17 | C16 | H19 | 12.8° | 86.1° |
| H6 | C17 | C16 | H18 | 12.3° | 160.0° |
| H6 | C17 | C16 | H19 | 133.2° | 36.1° |
| H7 | C21 | C44 | H30 | 168.4° | 73.6° |
| H7 | C21 | C44 | H31 | 70.5° | 46.2° |
| H7 | C21 | N20 | H38 | 174.3° | 78.2° |
| H8 | C24 | N23 | H39 | 163.0° | 120.0° |
| H9 | C24 | N23 | H39 | 76.9° | 119.9° |
| H10 | C28 | C29 | H20 | 0.7° | 0.1° |
| H11 | C04 | C05 | H12 | 164.4° | 72.9° |
| H11 | C04 | C05 | H13 | 77.4° | 167.2° |
| H11 | C04 | N03 | H37 | 144.7° | 43.1° |
| H15 | C11 | C12 | H16 | 0.1° | 0.3° |
| H20 | C29 | C30 | H21 | 0.4° | 0.1° |
| H21 | C30 | C31 | H22 | 0.1° | 0.2° |
| H23 | C34 | C35 | H25 | 31.3° | 93.9° |
| H23 | C34 | C35 | H26 | 89.3° | 26.2° |
| H24 | C34 | C35 | H25 | 88.0° | 145.9° |
| H24 | C34 | C35 | H26 | 151.4° | 94.0° |
| H28 | C41 | C42 | H29 | 2.1° | 0.1° |
| H32 | C45 | C46 | H33 | 1.0° | 0.3° |
| H34 | C47 | C48 | H35 | 0.0° | 0.2° |
| H35 | C48 | C49 | H36 | 0.4° | 0.2° |
