UXT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | N06 | sing | 1.47Å | 1.32Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C40 | N06 | sing | 1.47Å | 1.33Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C41 | C02 | sing | 1.53Å | 1.53Å | |
| N06 | C05 | sing | 1.47Å | 1.33Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.50Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C10 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.53Å | |
| C29 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | N27 | sing | 1.46Å | 1.47Å | |
| C13 | N14 | sing | 1.40Å | 1.45Å | |
| C37 | N14 | sing | 1.47Å | 1.48Å | |
| C37 | C38 | sing | 1.50Å | 1.53Å | |
| N14 | C15 | sing | 1.47Å | 1.48Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| N27 | C26 | sing | 1.39Å | 1.47Å | |
| C18 | N21 | sing | 1.47Å | 1.40Å | |
| C38 | O39 | doub | 1.21Å | 1.20Å | |
| C38 | N36 | sing | 1.34Å | 1.43Å | |
| C35 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| C35 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N36 | sing | 1.46Å | 1.42Å | |
| C16 | C19 | sing | 1.53Å | 1.56Å | |
| C26 | N25 | sing | 1.33Å | 1.33Å | Aromatic |
| N21 | C22 | sing | 1.39Å | 1.46Å | |
| N21 | C20 | sing | 1.47Å | 1.41Å | |
| C22 | N23 | doub | 1.33Å | 1.32Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| N23 | C24 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| N27 | H43 | sing | 0.97Å | 1.00Å | |
| N36 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C07 | C08 | 105.9° | 109.5° |
| C07 | N06 | C40 | 105.3° | 111.0° |
| C07 | N06 | C05 | 108.5° | 110.9° |
| N06 | C07 | H21 | 110.4° | 109.5° |
| N06 | C07 | H22 | 110.3° | 109.4° |
| C07 | C08 | C09 | 121.4° | 120.0° |
| C07 | C08 | C11 | 117.9° | 119.9° |
| C08 | C07 | H21 | 110.4° | 109.5° |
| C08 | C07 | H22 | 110.4° | 109.4° |
| C41 | C40 | N06 | 115.7° | 109.5° |
| C40 | C41 | C02 | 110.3° | 109.3° |
| C41 | C40 | H38 | 107.9° | 109.5° |
| C41 | C40 | H39 | 107.9° | 109.4° |
| C40 | C41 | H40 | 109.3° | 109.5° |
| C40 | C41 | H41 | 109.3° | 109.5° |
| C40 | N06 | C05 | 112.8° | 111.2° |
| N06 | C40 | H38 | 107.9° | 109.5° |
| N06 | C40 | H39 | 107.9° | 109.5° |
| C03 | C02 | C41 | 105.4° | 109.6° |
| C03 | C02 | C04 | 111.9° | 109.5° |
| C03 | C02 | C01 | 111.4° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C41 | C02 | C04 | 111.7° | 109.1° |
| C41 | C02 | C01 | 111.1° | 109.5° |
| C02 | C41 | H40 | 109.3° | 109.5° |
| C02 | C41 | H41 | 109.3° | 109.5° |
| N06 | C05 | C04 | 115.4° | 109.5° |
| N06 | C05 | H19 | 108.0° | 109.5° |
| N06 | C05 | H20 | 108.0° | 109.5° |
| C09 | C08 | C11 | 120.6° | 120.2° |
| C08 | C09 | C10 | 119.6° | 120.1° |
| C08 | C09 | H23 | 120.2° | 120.0° |
| C08 | C11 | C12 | 119.5° | 120.0° |
| C08 | C11 | H24 | 120.3° | 120.0° |
| C09 | C10 | C13 | 120.4° | 119.9° |
| C09 | C10 | H1 | 119.8° | 120.0° |
| C10 | C09 | H23 | 120.2° | 120.0° |
| C30 | C31 | C32 | 121.0° | 120.0° |
| C31 | C30 | C29 | 118.8° | 120.0° |
| C31 | C30 | H30 | 120.6° | 120.0° |
| C30 | C31 | H31 | 119.5° | 120.0° |
| C31 | C32 | C33 | 120.0° | 120.0° |
| C32 | C31 | H31 | 119.5° | 120.0° |
| C31 | C32 | H32 | 120.0° | 120.0° |
| C30 | C29 | C28 | 118.6° | 120.0° |
| C30 | C29 | C34 | 120.7° | 120.0° |
| C29 | C30 | H30 | 120.6° | 120.0° |
| C05 | C04 | C02 | 109.2° | 109.3° |
| C05 | C04 | H17 | 109.6° | 109.5° |
| C05 | C04 | H18 | 109.5° | 109.5° |
| C04 | C05 | H19 | 108.0° | 109.4° |
| C04 | C05 | H20 | 108.0° | 109.4° |
| C11 | C12 | C13 | 120.2° | 119.9° |
| C12 | C11 | H24 | 120.3° | 119.9° |
| C11 | C12 | H25 | 119.9° | 120.1° |
| C04 | C02 | C01 | 105.5° | 109.5° |
| C02 | C04 | H17 | 109.5° | 109.5° |
| C02 | C04 | H18 | 109.6° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.5° | 109.4° |
| C02 | C01 | H13 | 109.4° | 109.5° |
| C10 | C13 | C12 | 119.8° | 119.8° |
| C10 | C13 | N14 | 120.0° | 120.1° |
| C13 | C10 | H1 | 119.8° | 120.1° |
| C32 | C33 | C34 | 119.8° | 120.0° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | H33 | 120.1° | 120.0° |
| C28 | C29 | C34 | 120.7° | 120.0° |
| C29 | C28 | N27 | 115.9° | 109.5° |
| C29 | C28 | H9 | 107.8° | 109.5° |
| C29 | C28 | H10 | 107.8° | 109.4° |
| C29 | C34 | C33 | 119.6° | 120.0° |
| C29 | C34 | H34 | 120.2° | 120.0° |
| C12 | C13 | N14 | 120.2° | 120.1° |
| C13 | C12 | H25 | 119.9° | 120.0° |
| C28 | N27 | C26 | 126.9° | 120.0° |
| N27 | C28 | H9 | 107.9° | 109.5° |
| N27 | C28 | H10 | 107.9° | 109.5° |
| C28 | N27 | H43 | 105.0° | 120.0° |
| C13 | N14 | C37 | 120.0° | 111.0° |
| C13 | N14 | C15 | 118.8° | 111.0° |
| N14 | C37 | C38 | 112.1° | 110.0° |
| C37 | N14 | C15 | 119.3° | 110.2° |
| N14 | C37 | H36 | 108.8° | 109.4° |
| N14 | C37 | H37 | 108.8° | 109.4° |
| C37 | C38 | O39 | 119.9° | 118.7° |
| C37 | C38 | N36 | 120.1° | 122.7° |
| C38 | C37 | H36 | 108.8° | 109.3° |
| C38 | C37 | H37 | 108.8° | 109.4° |
| N14 | C15 | C16 | 104.6° | 108.7° |
| N14 | C15 | H2 | 110.7° | 109.6° |
| N14 | C15 | H3 | 110.7° | 109.7° |
| C34 | C33 | H33 | 120.1° | 120.0° |
| C33 | C34 | H34 | 120.2° | 120.0° |
| C18 | C17 | C16 | 115.4° | 109.3° |
| C17 | C18 | N21 | 110.0° | 109.5° |
| C18 | C17 | H4 | 108.0° | 109.6° |
| C18 | C17 | H5 | 108.0° | 109.5° |
| C17 | C18 | H26 | 109.4° | 109.5° |
| C17 | C18 | H27 | 109.3° | 109.5° |
| C17 | C16 | C15 | 128.3° | 109.3° |
| C17 | C16 | N36 | 103.8° | 109.5° |
| C17 | C16 | C19 | 112.5° | 109.0° |
| C16 | C17 | H4 | 108.0° | 109.5° |
| C16 | C17 | H5 | 108.0° | 109.5° |
| N27 | C26 | C35 | 124.1° | 120.5° |
| N27 | C26 | N25 | 116.8° | 120.5° |
| C26 | N27 | H43 | 104.9° | 120.0° |
| C18 | N21 | C22 | 119.4° | 111.0° |
| C18 | N21 | C20 | 119.7° | 111.2° |
| N21 | C18 | H26 | 109.3° | 109.4° |
| N21 | C18 | H27 | 109.3° | 109.5° |
| O39 | C38 | N36 | 120.0° | 118.6° |
| C38 | N36 | C16 | 117.5° | 122.9° |
| C38 | N36 | H44 | 121.2° | 118.5° |
| C26 | C35 | C22 | 118.9° | 118.3° |
| C35 | C26 | N25 | 119.1° | 119.1° |
| C26 | C35 | H35 | 120.6° | 120.9° |
| C35 | C22 | N21 | 122.1° | 120.5° |
| C35 | C22 | N23 | 121.2° | 119.0° |
| C22 | C35 | H35 | 120.5° | 120.9° |
| C15 | C16 | N36 | 109.2° | 110.0° |
| C15 | C16 | C19 | 102.6° | 109.4° |
| C16 | C15 | H2 | 110.7° | 109.6° |
| C16 | C15 | H3 | 110.7° | 109.6° |
| N36 | C16 | C19 | 95.8° | 109.6° |
| C16 | N36 | H44 | 121.2° | 118.5° |
| C16 | C19 | C20 | 113.5° | 109.3° |
| C16 | C19 | H28 | 108.5° | 109.5° |
| C16 | C19 | H29 | 108.5° | 109.5° |
| C26 | N25 | C24 | 121.2° | 120.8° |
| C22 | N21 | C20 | 120.2° | 111.0° |
| N21 | C22 | N23 | 116.7° | 120.5° |
| N21 | C20 | C19 | 115.1° | 109.5° |
| N21 | C20 | H6 | 108.1° | 109.5° |
| N21 | C20 | H7 | 108.0° | 109.5° |
| C22 | N23 | C24 | 119.1° | 120.9° |
| N25 | C24 | N23 | 120.5° | 121.9° |
| N25 | C24 | H8 | 119.8° | 119.0° |
| C19 | C20 | H6 | 108.0° | 109.5° |
| C19 | C20 | H7 | 108.1° | 109.5° |
| C20 | C19 | H28 | 108.4° | 109.6° |
| C20 | C19 | H29 | 108.5° | 109.5° |
| N23 | C24 | H8 | 119.8° | 119.0° |
| H2 | C15 | H3 | 109.5° | 109.6° |
| H4 | C17 | H5 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.4° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.4° |
| H14 | C03 | H16 | 109.4° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.4° |
| H17 | C04 | H18 | 109.5° | 109.5° |
| H19 | C05 | H20 | 109.4° | 109.5° |
| H21 | C07 | H22 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H36 | C37 | H37 | 109.5° | 109.3° |
| H38 | C40 | H39 | 109.5° | 109.4° |
| H40 | C41 | H41 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C07 | C08 | H21 | 119.5° | 120.0° |
| N06 | C07 | C08 | H22 | 119.4° | 119.9° |
| C07 | N06 | C40 | C41 | 173.1° | 174.2° |
| C07 | N06 | C40 | C05 | 118.2° | 124.0° |
| N06 | C07 | C08 | C09 | 111.7° | 89.9° |
| N06 | C07 | C08 | C11 | 67.1° | 89.5° |
| C07 | N06 | C05 | C04 | 177.8° | 174.2° |
| C07 | N06 | C05 | H19 | 61.3° | 65.8° |
| C07 | N06 | C05 | H20 | 57.0° | 54.2° |
| N06 | C07 | H21 | H22 | 121.6° | 119.9° |
| C07 | N06 | C40 | H38 | 66.0° | 54.2° |
| C07 | N06 | C40 | H39 | 52.2° | 65.8° |
| C08 | C07 | N06 | C40 | 169.3° | 170.0° |
| C08 | C07 | N06 | C05 | 69.7° | 65.9° |
| C07 | C08 | C09 | C11 | 178.7° | 179.5° |
| C07 | C08 | C09 | C10 | 178.8° | 180.0° |
| C07 | C08 | C11 | C12 | 179.4° | 179.7° |
| C08 | C07 | H21 | H22 | 121.7° | 120.0° |
| C07 | C08 | C09 | H23 | 1.2° | 0.0° |
| C07 | C08 | C11 | H24 | 0.6° | 0.0° |
| C41 | C40 | N06 | H38 | 120.9° | 120.0° |
| C41 | C40 | N06 | H39 | 120.9° | 120.0° |
| C40 | C41 | C02 | C03 | 80.1° | 62.3° |
| C40 | C41 | C02 | H40 | 120.1° | 120.0° |
| C40 | C41 | C02 | H41 | 120.1° | 120.0° |
| C41 | C40 | N06 | C05 | 54.9° | 61.8° |
| C40 | C41 | C02 | C04 | 41.7° | 57.6° |
| C40 | C41 | C02 | C01 | 159.2° | 177.5° |
| C41 | C40 | H38 | H39 | 117.2° | 119.9° |
| C40 | C41 | H40 | H41 | 119.6° | 120.0° |
| N06 | C40 | C41 | C02 | 45.6° | 59.2° |
| C40 | N06 | C05 | C04 | 61.6° | 61.8° |
| C40 | N06 | C05 | H19 | 177.6° | 58.2° |
| C40 | N06 | C05 | H20 | 59.3° | 178.3° |
| C40 | N06 | C07 | H21 | 49.8° | 69.9° |
| C40 | N06 | C07 | H22 | 71.3° | 50.0° |
| N06 | C40 | H38 | H39 | 117.2° | 120.0° |
| N06 | C40 | C41 | H40 | 165.7° | 60.8° |
| N06 | C40 | C41 | H41 | 74.6° | 179.2° |
| C03 | C02 | C41 | C04 | 121.7° | 119.9° |
| C03 | C02 | C41 | C01 | 120.8° | 120.2° |
| C03 | C02 | C04 | C05 | 71.2° | 62.3° |
| C03 | C02 | C04 | C01 | 121.3° | 120.1° |
| C03 | C02 | C01 | H11 | 180.0° | 60.1° |
| C03 | C02 | C01 | H12 | 60.0° | 59.9° |
| C03 | C02 | C01 | H13 | 60.0° | 179.9° |
| C02 | C03 | H14 | H15 | 120.0° | 120.0° |
| C02 | C03 | H14 | H16 | 120.0° | 120.1° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C03 | C02 | C04 | H17 | 168.8° | 57.6° |
| C03 | C02 | C04 | H18 | 48.7° | 177.7° |
| C03 | C02 | C41 | H40 | 40.1° | 177.8° |
| C03 | C02 | C41 | H41 | 159.8° | 57.7° |
| C41 | C02 | C04 | C05 | 46.6° | 57.6° |
| C41 | C02 | C04 | C01 | 120.8° | 119.9° |
| C41 | C02 | C01 | H11 | 62.8° | 179.7° |
| C41 | C02 | C01 | H12 | 177.2° | 60.3° |
| C41 | C02 | C01 | H13 | 57.2° | 59.7° |
| C41 | C02 | C03 | H14 | 180.0° | 59.6° |
| C41 | C02 | C03 | H15 | 60.0° | 60.3° |
| C41 | C02 | C03 | H16 | 60.0° | 179.7° |
| C41 | C02 | C04 | H17 | 73.3° | 177.5° |
| C41 | C02 | C04 | H18 | 166.6° | 62.4° |
| C02 | C41 | C40 | H38 | 166.5° | 179.2° |
| C02 | C41 | C40 | H39 | 75.3° | 60.9° |
| C02 | C41 | H40 | H41 | 119.6° | 120.1° |
| N06 | C05 | C04 | H19 | 120.9° | 120.0° |
| N06 | C05 | C04 | H20 | 120.9° | 120.0° |
| N06 | C05 | C04 | C02 | 57.2° | 59.2° |
| N06 | C05 | C04 | H17 | 62.7° | 179.1° |
| N06 | C05 | C04 | H18 | 177.2° | 60.8° |
| N06 | C05 | H19 | H20 | 117.3° | 120.0° |
| C05 | N06 | C07 | H21 | 170.8° | 54.2° |
| C05 | N06 | C07 | H22 | 49.7° | 174.2° |
| C05 | N06 | C40 | H38 | 175.8° | 178.2° |
| C05 | N06 | C40 | H39 | 66.0° | 58.3° |
| C08 | C09 | C10 | H23 | 180.0° | 179.9° |
| C09 | C08 | C11 | C12 | 0.6° | 0.8° |
| C08 | C09 | C10 | C13 | 0.4° | 0.1° |
| C08 | C09 | C10 | H1 | 179.6° | 179.7° |
| C09 | C08 | C07 | H21 | 128.8° | 150.0° |
| C09 | C08 | C07 | H22 | 7.7° | 30.0° |
| C09 | C08 | C11 | H24 | 179.4° | 179.5° |
| C11 | C08 | C09 | C10 | 0.0° | 0.6° |
| C08 | C11 | C12 | H24 | 180.0° | 179.7° |
| C08 | C11 | C12 | C13 | 0.8° | 0.5° |
| C11 | C08 | C07 | H21 | 52.4° | 30.5° |
| C11 | C08 | C07 | H22 | 173.5° | 150.5° |
| C11 | C08 | C09 | H23 | 180.0° | 179.5° |
| C08 | C11 | C12 | H25 | 179.3° | 180.0° |
| C09 | C10 | C13 | H1 | 180.0° | 179.7° |
| C09 | C10 | C13 | C12 | 0.2° | 0.2° |
| C09 | C10 | C13 | N14 | 179.4° | 179.8° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C31 | C30 | C29 | H30 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.6° | 0.1° |
| C31 | C30 | C29 | C28 | 179.2° | 180.0° |
| C31 | C30 | C29 | C34 | 0.2° | 0.2° |
| C30 | C31 | C32 | H32 | 179.5° | 180.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.6° | 0.2° |
| C32 | C31 | C30 | H30 | 179.9° | 180.0° |
| C31 | C32 | C33 | H33 | 179.3° | 180.0° |
| C30 | C29 | C28 | C34 | 179.4° | 179.8° |
| C30 | C29 | C28 | N27 | 172.0° | 89.7° |
| C30 | C29 | C34 | C33 | 0.1° | 0.5° |
| C30 | C29 | C28 | H9 | 67.1° | 30.3° |
| C30 | C29 | C28 | H10 | 51.0° | 150.2° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| C30 | C29 | C34 | H34 | 179.9° | 179.7° |
| C05 | C04 | C02 | H17 | 120.0° | 119.9° |
| C05 | C04 | C02 | H18 | 119.9° | 120.0° |
| C05 | C04 | C02 | C01 | 167.4° | 177.5° |
| C05 | C04 | H17 | H18 | 120.1° | 120.1° |
| C04 | C05 | H19 | H20 | 117.3° | 119.9° |
| C11 | C12 | C13 | C10 | 0.3° | 0.0° |
| C11 | C12 | C13 | H25 | 180.0° | 179.4° |
| C11 | C12 | C13 | N14 | 178.8° | 180.0° |
| C04 | C02 | C01 | H11 | 58.3° | 60.0° |
| C04 | C02 | C01 | H12 | 61.7° | 180.0° |
| C04 | C02 | C01 | H13 | 178.3° | 60.0° |
| C04 | C02 | C03 | H14 | 58.5° | 60.0° |
| C04 | C02 | C03 | H15 | 61.6° | 180.0° |
| C04 | C02 | C03 | H16 | 178.4° | 60.0° |
| C02 | C04 | H17 | H18 | 120.1° | 120.1° |
| C02 | C04 | C05 | H19 | 178.1° | 60.9° |
| C02 | C04 | C05 | H20 | 63.7° | 179.2° |
| C04 | C02 | C41 | H40 | 161.8° | 62.3° |
| C04 | C02 | C41 | H41 | 78.5° | 177.6° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.1° |
| C01 | C02 | C03 | H14 | 59.4° | 179.8° |
| C01 | C02 | C03 | H15 | 179.4° | 59.9° |
| C01 | C02 | C03 | H16 | 60.6° | 60.1° |
| C01 | C02 | C04 | H17 | 47.5° | 62.5° |
| C01 | C02 | C04 | H18 | 72.6° | 57.5° |
| C01 | C02 | C41 | H40 | 80.7° | 57.6° |
| C01 | C02 | C41 | H41 | 39.0° | 62.5° |
| C10 | C13 | C12 | N14 | 179.2° | 180.0° |
| C10 | C13 | N14 | C37 | 11.2° | 56.0° |
| C10 | C13 | N14 | C15 | 152.9° | 178.9° |
| C13 | C10 | C09 | H23 | 179.6° | 180.0° |
| C10 | C13 | C12 | H25 | 179.7° | 179.5° |
| C32 | C33 | C34 | C29 | 0.3° | 0.4° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C33 | C32 | C31 | H31 | 179.5° | 180.0° |
| C32 | C33 | C34 | H34 | 179.7° | 179.8° |
| C29 | C28 | N27 | H9 | 120.9° | 120.0° |
| C29 | C28 | N27 | H10 | 120.9° | 120.0° |
| C28 | C29 | C34 | C33 | 179.2° | 179.8° |
| C29 | C28 | N27 | C26 | 82.0° | 180.0° |
| C29 | C28 | H9 | H10 | 117.1° | 119.9° |
| C28 | C29 | C30 | H30 | 0.8° | 0.0° |
| C28 | C29 | C34 | H34 | 0.7° | 0.0° |
| C29 | C28 | N27 | H43 | 155.7° | 0.0° |
| C34 | C29 | C28 | N27 | 8.6° | 90.0° |
| C29 | C34 | C33 | H34 | 180.0° | 179.8° |
| C34 | C29 | C28 | H9 | 112.3° | 149.9° |
| C34 | C29 | C28 | H10 | 129.6° | 30.0° |
| C34 | C29 | C30 | H30 | 179.8° | 179.7° |
| C29 | C34 | C33 | H33 | 179.7° | 179.7° |
| C12 | C13 | N14 | C37 | 169.6° | 124.0° |
| C12 | C13 | N14 | C15 | 26.3° | 1.1° |
| C12 | C13 | C10 | H1 | 179.8° | 180.0° |
| C13 | C12 | C11 | H24 | 179.3° | 179.7° |
| C28 | N27 | C26 | H43 | 122.3° | 180.0° |
| C28 | N27 | C26 | C35 | 10.8° | 0.0° |
| C28 | N27 | C26 | N25 | 169.4° | 180.0° |
| N27 | C28 | H9 | H10 | 117.1° | 120.1° |
| C13 | N14 | C37 | C15 | 164.0° | 123.4° |
| C13 | N14 | C37 | C38 | 173.1° | 173.6° |
| C13 | N14 | C15 | C16 | 145.1° | 167.6° |
| N14 | C13 | C10 | H1 | 0.6° | 0.0° |
| C13 | N14 | C15 | H2 | 95.7° | 47.8° |
| C13 | N14 | C15 | H3 | 25.9° | 72.5° |
| N14 | C13 | C12 | H25 | 1.2° | 0.5° |
| C13 | N14 | C37 | H36 | 66.5° | 53.5° |
| C13 | N14 | C37 | H37 | 52.7° | 66.2° |
| N14 | C37 | C38 | H36 | 120.4° | 120.2° |
| N14 | C37 | C38 | H37 | 120.4° | 120.2° |
| N14 | C37 | C38 | O39 | 161.0° | 162.9° |
| N14 | C37 | C38 | N36 | 19.4° | 17.1° |
| C37 | N14 | C15 | C16 | 50.7° | 69.1° |
| C37 | N14 | C15 | H2 | 68.5° | 171.2° |
| C37 | N14 | C15 | H3 | 169.9° | 50.8° |
| N14 | C37 | H36 | H37 | 118.8° | 119.8° |
| C38 | C37 | N14 | C15 | 9.1° | 50.2° |
| C37 | C38 | O39 | N36 | 179.6° | 180.0° |
| C37 | C38 | N36 | C16 | 0.3° | 1.7° |
| C38 | C37 | H36 | H37 | 118.8° | 119.6° |
| C37 | C38 | N36 | H44 | 179.7° | 178.3° |
| N14 | C15 | C16 | C17 | 58.3° | 69.9° |
| N14 | C15 | C16 | H2 | 119.2° | 119.8° |
| N14 | C15 | C16 | H3 | 119.2° | 120.0° |
| N14 | C15 | C16 | N36 | 68.3° | 50.5° |
| N14 | C15 | C16 | C19 | 169.2° | 170.8° |
| N14 | C15 | H2 | H3 | 122.3° | 120.4° |
| C15 | N14 | C37 | H36 | 129.5° | 69.9° |
| C15 | N14 | C37 | H37 | 111.3° | 170.4° |
| C34 | C33 | C32 | H32 | 179.4° | 179.8° |
| C18 | C17 | C16 | H4 | 120.9° | 120.0° |
| C18 | C17 | C16 | H5 | 120.9° | 119.9° |
| C17 | C18 | N21 | H26 | 120.1° | 120.0° |
| C17 | C18 | N21 | H27 | 120.1° | 120.0° |
| C18 | C17 | C16 | C15 | 169.9° | 177.4° |
| C18 | C17 | C16 | N36 | 61.5° | 62.0° |
| C18 | C17 | C16 | C19 | 41.0° | 57.9° |
| C17 | C18 | N21 | C22 | 134.8° | 174.2° |
| C17 | C18 | N21 | C20 | 54.5° | 61.7° |
| C18 | C17 | H4 | H5 | 117.3° | 120.1° |
| C17 | C18 | H26 | H27 | 119.8° | 120.0° |
| C16 | C17 | C18 | N21 | 48.2° | 59.3° |
| C17 | C16 | N36 | C38 | 94.8° | 101.9° |
| C17 | C16 | C15 | N36 | 126.6° | 120.3° |
| C17 | C16 | C15 | C19 | 132.6° | 119.3° |
| C17 | C16 | N36 | C19 | 114.9° | 119.6° |
| C17 | C16 | C19 | C20 | 35.1° | 57.9° |
| C17 | C16 | C15 | H2 | 177.5° | 49.9° |
| C17 | C16 | C15 | H3 | 61.0° | 170.2° |
| C16 | C17 | H4 | H5 | 117.3° | 120.1° |
| C16 | C17 | C18 | H26 | 168.3° | 179.2° |
| C16 | C17 | C18 | H27 | 71.8° | 60.7° |
| C17 | C16 | C19 | H28 | 155.7° | 62.2° |
| C17 | C16 | C19 | H29 | 85.5° | 177.8° |
| C17 | C16 | N36 | H44 | 85.2° | 78.1° |
| N27 | C26 | C35 | N25 | 179.8° | 180.0° |
| N27 | C26 | C35 | C22 | 179.9° | 180.0° |
| N27 | C26 | N25 | C24 | 179.2° | 180.0° |
| C26 | N27 | C28 | H9 | 38.9° | 60.0° |
| C26 | N27 | C28 | H10 | 157.1° | 60.0° |
| N27 | C26 | C35 | H35 | 0.1° | 0.0° |
| C18 | N21 | C22 | C35 | 10.3° | 179.7° |
| C18 | N21 | C22 | C20 | 170.6° | 124.2° |
| C18 | N21 | C22 | N23 | 169.0° | 0.0° |
| C18 | N21 | C20 | C19 | 51.3° | 61.7° |
| N21 | C18 | C17 | H4 | 169.1° | 60.7° |
| N21 | C18 | C17 | H5 | 72.6° | 179.2° |
| C18 | N21 | C20 | H6 | 172.1° | 58.3° |
| C18 | N21 | C20 | H7 | 69.5° | 178.2° |
| N21 | C18 | H26 | H27 | 119.7° | 120.0° |
| O39 | C38 | N36 | C16 | 179.9° | 178.3° |
| O39 | C38 | C37 | H36 | 78.6° | 76.9° |
| O39 | C38 | C37 | H37 | 40.6° | 42.6° |
| O39 | C38 | N36 | H44 | 0.1° | 1.7° |
| C38 | N36 | C16 | C15 | 44.7° | 18.3° |
| C38 | N36 | C16 | H44 | 180.0° | 180.0° |
| C38 | N36 | C16 | C19 | 150.2° | 138.5° |
| N36 | C38 | C37 | H36 | 101.0° | 103.1° |
| N36 | C38 | C37 | H37 | 139.8° | 137.4° |
| C26 | C35 | C22 | H35 | 180.0° | 179.9° |
| C26 | C35 | C22 | N21 | 179.7° | 179.8° |
| C26 | C35 | C22 | N23 | 0.5° | 0.0° |
| C35 | C26 | N25 | C24 | 1.0° | 0.0° |
| C35 | C26 | N27 | H43 | 111.5° | 180.0° |
| C22 | C35 | C26 | N25 | 0.3° | 0.0° |
| C35 | C22 | N21 | N23 | 179.3° | 179.7° |
| C35 | C22 | N21 | C20 | 179.1° | 55.5° |
| C35 | C22 | N23 | C24 | 0.6° | 0.0° |
| C15 | C16 | N36 | C19 | 105.6° | 120.2° |
| C15 | C16 | C19 | C20 | 176.3° | 177.4° |
| C16 | C15 | H2 | H3 | 122.3° | 120.3° |
| C15 | C16 | C17 | H4 | 69.2° | 57.4° |
| C15 | C16 | C17 | H5 | 49.0° | 62.7° |
| C15 | C16 | C19 | H28 | 63.1° | 57.4° |
| C15 | C16 | C19 | H29 | 55.7° | 62.7° |
| C15 | C16 | N36 | H44 | 135.3° | 161.7° |
| N36 | C16 | C19 | C20 | 72.5° | 62.0° |
| N36 | C16 | C15 | H2 | 50.9° | 170.2° |
| N36 | C16 | C15 | H3 | 172.5° | 69.5° |
| N36 | C16 | C17 | H4 | 59.4° | 178.0° |
| N36 | C16 | C17 | H5 | 177.7° | 57.9° |
| N36 | C16 | C19 | H28 | 48.1° | 178.0° |
| N36 | C16 | C19 | H29 | 166.9° | 57.9° |
| C16 | C19 | C20 | N21 | 39.1° | 59.3° |
| C16 | C19 | C20 | H28 | 120.6° | 120.0° |
| C16 | C19 | C20 | H29 | 120.6° | 119.9° |
| C19 | C16 | C15 | H2 | 50.0° | 69.4° |
| C19 | C16 | C15 | H3 | 71.6° | 50.9° |
| C19 | C16 | C17 | H4 | 161.8° | 62.1° |
| C19 | C16 | C17 | H5 | 79.9° | 177.8° |
| C16 | C19 | C20 | H6 | 160.0° | 60.7° |
| C16 | C19 | C20 | H7 | 81.7° | 179.3° |
| C16 | C19 | H28 | H29 | 118.2° | 120.0° |
| C19 | C16 | N36 | H44 | 29.8° | 41.5° |
| C26 | N25 | C24 | N23 | 0.9° | 0.0° |
| C26 | N25 | C24 | H8 | 179.2° | 179.9° |
| N25 | C26 | C35 | H35 | 179.7° | 180.0° |
| N25 | C26 | N27 | H43 | 68.3° | 0.0° |
| C22 | N21 | C20 | C19 | 138.1° | 174.2° |
| N21 | C22 | N23 | C24 | 179.9° | 179.7° |
| C22 | N21 | C20 | H6 | 17.3° | 65.8° |
| C22 | N21 | C20 | H7 | 101.1° | 54.2° |
| C22 | N21 | C18 | H26 | 14.7° | 54.2° |
| C22 | N21 | C18 | H27 | 105.1° | 65.8° |
| N21 | C22 | C35 | H35 | 0.3° | 0.3° |
| C20 | N21 | C22 | N23 | 1.6° | 124.3° |
| N21 | C20 | C19 | H6 | 120.8° | 120.0° |
| N21 | C20 | C19 | H7 | 120.8° | 120.0° |
| N21 | C20 | H6 | H7 | 117.5° | 120.0° |
| C20 | N21 | C18 | H26 | 174.6° | 178.3° |
| C20 | N21 | C18 | H27 | 65.6° | 58.3° |
| N21 | C20 | C19 | H28 | 159.7° | 60.7° |
| N21 | C20 | C19 | H29 | 81.5° | 179.2° |
| C22 | N23 | C24 | N25 | 0.0° | 0.0° |
| C22 | N23 | C24 | H8 | 180.0° | 180.0° |
| N23 | C22 | C35 | H35 | 179.5° | 180.0° |
| N25 | C24 | N23 | H8 | 180.0° | 179.9° |
| C19 | C20 | H6 | H7 | 117.5° | 120.0° |
| C20 | C19 | H28 | H29 | 118.2° | 120.1° |
| H1 | C10 | C09 | H23 | 0.4° | 0.3° |
| H4 | C17 | C18 | H26 | 70.8° | 59.3° |
| H4 | C17 | C18 | H27 | 49.1° | 179.3° |
| H5 | C17 | C18 | H26 | 47.4° | 60.8° |
| H5 | C17 | C18 | H27 | 167.3° | 59.2° |
| H6 | C20 | C19 | H28 | 79.5° | 179.3° |
| H6 | C20 | C19 | H29 | 39.3° | 59.2° |
| H7 | C20 | C19 | H28 | 38.9° | 59.3° |
| H7 | C20 | C19 | H29 | 157.7° | 60.8° |
| H9 | C28 | N27 | H43 | 83.4° | 120.0° |
| H10 | C28 | N27 | H43 | 34.8° | 119.9° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C03 | H15 | H16 | 120.0° | 120.0° |
| H17 | C04 | C05 | H19 | 58.2° | 59.1° |
| H17 | C04 | C05 | H20 | 176.4° | 60.9° |
| H18 | C04 | C05 | H19 | 61.9° | 179.2° |
| H18 | C04 | C05 | H20 | 56.3° | 59.2° |
| H24 | C11 | C12 | H25 | 0.7° | 0.3° |
| H30 | C30 | C31 | H31 | 0.1° | 0.0° |
| H31 | C31 | C32 | H32 | 0.5° | 0.0° |
| H32 | C32 | C33 | H33 | 0.6° | 0.1° |
| H33 | C33 | C34 | H34 | 0.3° | 0.1° |
| H38 | C40 | C41 | H40 | 73.4° | 59.2° |
| H38 | C40 | C41 | H41 | 46.3° | 60.8° |
| H39 | C40 | C41 | H40 | 44.8° | 179.2° |
| H39 | C40 | C41 | H41 | 164.5° | 59.2° |
