UXW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | N06 | sing | 1.47Å | 1.51Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C07 | N06 | sing | 1.47Å | 1.51Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| N06 | C05 | sing | 1.47Å | 1.53Å | |
| C41 | C02 | sing | 1.53Å | 1.55Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | N11 | sing | 1.32Å | 1.36Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.57Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| N11 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C29 | C28 | sing | 1.51Å | 1.54Å | |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | N27 | sing | 1.46Å | 1.50Å | |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.41Å | |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| N14 | C37 | sing | 1.47Å | 1.48Å | |
| N14 | C15 | sing | 1.47Å | 1.44Å | |
| C37 | C38 | sing | 1.50Å | 1.53Å | |
| N27 | C26 | sing | 1.39Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C16 | sing | 1.53Å | 1.56Å | |
| C20 | N21 | sing | 1.47Å | 1.48Å | |
| C38 | O39 | doub | 1.21Å | 1.24Å | |
| C38 | N36 | sing | 1.34Å | 1.38Å | |
| C35 | C26 | doub | 1.39Å | 1.45Å | Aromatic |
| C35 | C22 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C26 | N25 | sing | 1.33Å | 1.36Å | Aromatic |
| C16 | N36 | sing | 1.46Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| N21 | C22 | sing | 1.39Å | 1.42Å | |
| N21 | C18 | sing | 1.47Å | 1.47Å | |
| C22 | N23 | doub | 1.33Å | 1.39Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N23 | C24 | sing | 1.32Å | 1.33Å | 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 | |
| C12 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å | |
| N27 | H42 | sing | 0.97Å | 1.00Å | |
| N36 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C40 | C41 | 109.1° | 109.6° |
| C40 | N06 | C07 | 112.1° | 111.0° |
| C40 | N06 | C05 | 103.7° | 111.2° |
| N06 | C40 | H37 | 109.6° | 109.5° |
| N06 | C40 | H38 | 109.6° | 109.4° |
| C40 | C41 | C02 | 115.1° | 109.2° |
| C41 | C40 | H37 | 109.6° | 109.5° |
| C41 | C40 | H38 | 109.6° | 109.5° |
| C40 | C41 | H39 | 108.0° | 109.5° |
| C40 | C41 | H40 | 108.1° | 109.5° |
| N06 | C07 | C08 | 107.1° | 109.5° |
| C07 | N06 | C05 | 108.4° | 111.1° |
| N06 | C07 | H21 | 110.0° | 109.4° |
| N06 | C07 | H22 | 110.1° | 109.5° |
| C07 | C08 | C09 | 120.6° | 119.5° |
| C07 | C08 | N11 | 120.3° | 119.5° |
| C08 | C07 | H21 | 110.1° | 109.5° |
| C08 | C07 | H22 | 110.1° | 109.5° |
| N06 | C05 | C04 | 107.3° | 109.6° |
| N06 | C05 | H19 | 110.0° | 109.5° |
| N06 | C05 | H20 | 110.0° | 109.5° |
| C41 | C02 | C03 | 110.8° | 109.6° |
| C41 | C02 | C04 | 107.4° | 109.2° |
| C41 | C02 | C01 | 110.9° | 109.5° |
| C02 | C41 | H39 | 108.0° | 109.5° |
| C02 | C41 | H40 | 108.1° | 109.5° |
| C34 | C33 | C32 | 120.1° | 120.0° |
| C33 | C34 | C29 | 122.8° | 120.0° |
| C34 | C33 | H32 | 119.9° | 120.0° |
| C33 | C34 | H33 | 118.6° | 120.0° |
| C33 | C32 | C31 | 118.9° | 120.0° |
| C33 | C32 | H31 | 120.5° | 120.0° |
| C32 | C33 | H32 | 119.9° | 120.0° |
| C09 | C08 | N11 | 119.1° | 121.0° |
| C08 | C09 | C10 | 120.1° | 119.2° |
| C08 | C09 | H23 | 119.9° | 120.5° |
| C08 | N11 | C12 | 119.6° | 121.8° |
| C09 | C10 | C13 | 122.8° | 118.4° |
| C09 | C10 | H1 | 118.6° | 120.8° |
| C10 | C09 | H23 | 119.9° | 120.3° |
| C34 | C29 | C28 | 121.1° | 120.0° |
| C34 | C29 | C30 | 115.5° | 120.0° |
| C29 | C34 | H33 | 118.6° | 120.0° |
| C03 | C02 | C04 | 108.2° | 109.6° |
| C03 | C02 | C01 | 110.2° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C05 | C04 | C02 | 113.0° | 109.3° |
| C05 | C04 | H17 | 108.6° | 109.5° |
| C05 | C04 | H18 | 108.6° | 109.5° |
| C04 | C05 | H19 | 110.0° | 109.5° |
| C04 | C05 | H20 | 110.0° | 109.4° |
| N11 | C12 | C13 | 126.0° | 120.7° |
| N11 | C12 | H24 | 117.0° | 119.7° |
| C10 | C13 | C12 | 112.3° | 119.0° |
| C10 | C13 | N14 | 120.9° | 120.5° |
| C13 | C10 | H1 | 118.6° | 120.8° |
| C32 | C31 | C30 | 120.2° | 120.0° |
| C32 | C31 | H30 | 119.9° | 120.0° |
| C31 | C32 | H31 | 120.5° | 120.0° |
| C04 | C02 | C01 | 109.2° | 109.5° |
| C02 | C04 | H17 | 108.5° | 109.5° |
| C02 | C04 | H18 | 108.6° | 109.6° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C28 | C29 | C30 | 123.4° | 120.0° |
| C29 | C28 | N27 | 122.3° | 109.5° |
| C29 | C28 | H9 | 106.2° | 109.5° |
| C29 | C28 | H10 | 106.2° | 109.5° |
| C29 | C30 | C31 | 122.4° | 120.0° |
| C29 | C30 | H29 | 118.8° | 120.0° |
| C28 | N27 | C26 | 129.1° | 120.1° |
| N27 | C28 | H9 | 106.2° | 109.5° |
| N27 | C28 | H10 | 106.2° | 109.4° |
| C28 | N27 | H42 | 104.4° | 120.0° |
| C12 | C13 | N14 | 126.8° | 120.5° |
| C13 | C12 | H24 | 117.0° | 119.7° |
| C13 | N14 | C37 | 119.0° | 111.0° |
| C13 | N14 | C15 | 124.5° | 111.0° |
| C31 | C30 | H29 | 118.8° | 120.1° |
| C30 | C31 | H30 | 119.9° | 120.0° |
| C37 | N14 | C15 | 113.2° | 110.2° |
| N14 | C37 | C38 | 113.6° | 110.0° |
| N14 | C37 | H35 | 108.4° | 109.4° |
| N14 | C37 | H36 | 108.4° | 109.3° |
| N14 | C15 | C16 | 112.4° | 108.7° |
| N14 | C15 | H2 | 108.7° | 109.6° |
| N14 | C15 | H3 | 108.7° | 109.7° |
| C37 | C38 | O39 | 121.2° | 118.6° |
| C37 | C38 | N36 | 120.3° | 122.7° |
| C38 | C37 | H35 | 108.4° | 109.4° |
| C38 | C37 | H36 | 108.4° | 109.4° |
| N27 | C26 | C35 | 123.0° | 120.4° |
| N27 | C26 | N25 | 119.9° | 120.5° |
| C26 | N27 | H42 | 104.3° | 119.9° |
| C20 | C19 | C16 | 116.4° | 109.2° |
| C19 | C20 | N21 | 112.2° | 109.5° |
| C19 | C20 | H6 | 108.8° | 109.4° |
| C19 | C20 | H7 | 108.8° | 109.5° |
| C20 | C19 | H27 | 107.7° | 109.5° |
| C20 | C19 | H28 | 107.7° | 109.5° |
| C19 | C16 | C15 | 121.7° | 109.4° |
| C19 | C16 | N36 | 106.4° | 109.5° |
| C19 | C16 | C17 | 110.1° | 109.1° |
| C16 | C19 | H27 | 107.7° | 109.5° |
| C16 | C19 | H28 | 107.7° | 109.5° |
| C20 | N21 | C22 | 121.2° | 111.0° |
| C20 | N21 | C18 | 111.6° | 111.2° |
| N21 | C20 | H6 | 108.8° | 109.5° |
| N21 | C20 | H7 | 108.8° | 109.5° |
| O39 | C38 | N36 | 118.5° | 118.7° |
| C38 | N36 | C16 | 124.3° | 123.0° |
| C38 | N36 | H43 | 117.8° | 118.5° |
| C26 | C35 | C22 | 121.2° | 118.3° |
| C35 | C26 | N25 | 117.1° | 119.0° |
| C26 | C35 | H34 | 119.4° | 120.9° |
| C35 | C22 | N21 | 120.8° | 120.5° |
| C35 | C22 | N23 | 119.1° | 119.1° |
| C22 | C35 | H34 | 119.4° | 120.9° |
| C15 | C16 | N36 | 104.0° | 110.0° |
| C15 | C16 | C17 | 108.1° | 109.3° |
| C16 | C15 | H2 | 108.7° | 109.6° |
| C16 | C15 | H3 | 108.8° | 109.6° |
| C26 | N25 | C24 | 117.3° | 120.9° |
| N36 | C16 | C17 | 105.3° | 109.5° |
| C16 | N36 | H43 | 117.8° | 118.5° |
| C16 | C17 | C18 | 114.5° | 109.2° |
| C16 | C17 | H4 | 108.2° | 109.5° |
| C16 | C17 | H5 | 108.2° | 109.5° |
| C22 | N21 | C18 | 126.6° | 111.0° |
| N21 | C22 | N23 | 120.1° | 120.5° |
| N21 | C18 | C17 | 115.2° | 109.5° |
| N21 | C18 | H25 | 108.0° | 109.5° |
| N21 | C18 | H26 | 108.0° | 109.4° |
| C22 | N23 | C24 | 115.1° | 120.8° |
| N25 | C24 | N23 | 130.1° | 121.9° |
| N25 | C24 | H8 | 114.9° | 119.0° |
| C18 | C17 | H4 | 108.2° | 109.5° |
| C18 | C17 | H5 | 108.2° | 109.5° |
| C17 | C18 | H25 | 108.0° | 109.5° |
| C17 | C18 | H26 | 108.0° | 109.5° |
| N23 | C24 | H8 | 114.9° | 119.0° |
| H2 | C15 | H3 | 109.5° | 109.6° |
| H4 | C17 | H5 | 109.5° | 109.6° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.4° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.4° |
| H12 | C01 | H13 | 109.5° | 109.4° |
| H14 | C03 | H15 | 109.5° | 109.5° |
| H14 | C03 | H16 | 109.5° | 109.4° |
| H15 | C03 | H16 | 109.4° | 109.4° |
| H17 | C04 | H18 | 109.5° | 109.5° |
| H19 | C05 | H20 | 109.4° | 109.4° |
| H21 | C07 | H22 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.6° |
| H35 | C37 | H36 | 109.5° | 109.4° |
| H37 | C40 | H38 | 109.5° | 109.4° |
| H39 | C41 | H40 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C40 | C41 | H37 | 119.9° | 120.1° |
| N06 | C40 | C41 | H38 | 119.9° | 120.0° |
| C40 | N06 | C07 | C05 | 113.8° | 124.3° |
| C40 | N06 | C07 | C08 | 165.6° | 170.0° |
| N06 | C40 | C41 | C02 | 56.4° | 59.1° |
| C40 | N06 | C05 | C04 | 70.6° | 61.7° |
| C40 | N06 | C05 | H19 | 169.7° | 58.3° |
| C40 | N06 | C05 | H20 | 49.0° | 178.3° |
| C40 | N06 | C07 | H21 | 74.8° | 70.0° |
| C40 | N06 | C07 | H22 | 46.0° | 49.9° |
| N06 | C40 | H37 | H38 | 120.2° | 119.9° |
| N06 | C40 | C41 | H39 | 177.2° | 60.8° |
| N06 | C40 | C41 | H40 | 64.4° | 179.1° |
| C41 | C40 | N06 | C07 | 177.8° | 174.1° |
| C41 | C40 | N06 | C05 | 65.5° | 61.7° |
| C40 | C41 | C02 | H39 | 120.8° | 119.9° |
| C40 | C41 | C02 | H40 | 120.8° | 119.9° |
| C40 | C41 | C02 | C03 | 71.9° | 62.3° |
| C40 | C41 | C02 | C04 | 46.1° | 57.7° |
| C40 | C41 | C02 | C01 | 165.3° | 177.6° |
| C41 | C40 | H37 | H38 | 120.2° | 119.9° |
| C40 | C41 | H39 | H40 | 117.5° | 120.1° |
| N06 | C07 | C08 | H21 | 119.6° | 120.0° |
| N06 | C07 | C08 | H22 | 119.6° | 120.0° |
| N06 | C07 | C08 | C09 | 107.8° | 95.0° |
| N06 | C07 | C08 | N11 | 71.0° | 84.5° |
| C07 | N06 | C05 | C04 | 170.1° | 174.1° |
| C07 | N06 | C05 | H19 | 50.4° | 65.8° |
| C07 | N06 | C05 | H20 | 70.2° | 54.1° |
| N06 | C07 | H21 | H22 | 121.1° | 120.0° |
| C07 | N06 | C40 | H37 | 62.2° | 54.1° |
| C07 | N06 | C40 | H38 | 57.9° | 65.9° |
| C08 | C07 | N06 | C05 | 51.8° | 65.8° |
| C07 | C08 | C09 | N11 | 178.9° | 179.5° |
| C07 | C08 | C09 | C10 | 178.3° | 180.0° |
| C07 | C08 | N11 | C12 | 179.0° | 179.7° |
| C08 | C07 | H21 | H22 | 121.1° | 120.0° |
| C07 | C08 | C09 | H23 | 1.7° | 0.0° |
| N06 | C05 | C04 | H19 | 119.7° | 120.0° |
| N06 | C05 | C04 | H20 | 119.7° | 120.0° |
| N06 | C05 | C04 | C02 | 66.1° | 59.2° |
| N06 | C05 | C04 | H17 | 54.4° | 179.1° |
| N06 | C05 | C04 | H18 | 173.3° | 60.8° |
| N06 | C05 | H19 | H20 | 121.0° | 120.0° |
| C05 | N06 | C07 | H21 | 171.4° | 54.2° |
| C05 | N06 | C07 | H22 | 67.9° | 174.2° |
| C05 | N06 | C40 | H37 | 54.4° | 178.2° |
| C05 | N06 | C40 | H38 | 174.6° | 58.3° |
| C41 | C02 | C03 | C04 | 117.5° | 119.8° |
| C41 | C02 | C03 | C01 | 123.2° | 120.1° |
| C41 | C02 | C04 | C05 | 50.9° | 57.7° |
| C41 | C02 | C04 | C01 | 120.3° | 119.9° |
| C41 | C02 | C01 | H11 | 180.0° | 179.7° |
| C41 | C02 | C01 | H12 | 60.0° | 60.3° |
| C41 | C02 | C01 | H13 | 60.0° | 59.7° |
| C41 | C02 | C03 | H14 | 180.0° | 59.8° |
| C41 | C02 | C03 | H15 | 60.0° | 60.3° |
| C41 | C02 | C03 | H16 | 60.0° | 179.8° |
| C41 | C02 | C04 | H17 | 69.6° | 177.6° |
| C41 | C02 | C04 | H18 | 171.4° | 62.3° |
| C02 | C41 | C40 | H37 | 63.5° | 179.2° |
| C02 | C41 | C40 | H38 | 176.4° | 60.9° |
| C02 | C41 | H39 | H40 | 117.5° | 120.2° |
| C34 | C33 | C32 | H32 | 180.0° | 179.4° |
| C33 | C34 | C29 | H33 | 180.0° | 179.5° |
| C34 | C33 | C32 | C31 | 0.0° | 0.3° |
| C33 | C34 | C29 | C28 | 179.7° | 179.7° |
| C33 | C34 | C29 | C30 | 0.2° | 0.5° |
| C34 | C33 | C32 | H31 | 179.9° | 179.7° |
| C32 | C33 | C34 | C29 | 0.1° | 0.6° |
| C33 | C32 | C31 | H31 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.2° | 0.0° |
| C33 | C32 | C31 | H30 | 179.8° | 180.0° |
| C32 | C33 | C34 | H33 | 179.8° | 180.0° |
| C08 | C09 | C10 | H23 | 180.0° | 179.9° |
| C09 | C08 | N11 | C12 | 0.1° | 0.8° |
| C08 | C09 | C10 | C13 | 0.7° | 0.0° |
| C08 | C09 | C10 | H1 | 179.3° | 179.8° |
| C09 | C08 | C07 | H21 | 132.6° | 145.0° |
| C09 | C08 | C07 | H22 | 11.8° | 25.0° |
| N11 | C08 | C09 | C10 | 0.5° | 0.6° |
| C08 | N11 | C12 | C13 | 0.7° | 0.5° |
| N11 | C08 | C07 | H21 | 48.6° | 35.5° |
| N11 | C08 | C07 | H22 | 169.4° | 155.5° |
| N11 | C08 | C09 | H23 | 179.5° | 179.5° |
| C08 | N11 | C12 | H24 | 179.4° | 179.5° |
| C09 | C10 | C13 | H1 | 180.0° | 179.8° |
| C09 | C10 | C13 | C12 | 0.2° | 0.3° |
| C09 | C10 | C13 | N14 | 179.9° | 179.8° |
| C34 | C29 | C28 | C30 | 179.9° | 179.8° |
| C34 | C29 | C28 | N27 | 163.5° | 90.2° |
| C34 | C29 | C30 | C31 | 0.1° | 0.2° |
| C34 | C29 | C28 | H9 | 74.7° | 29.8° |
| C34 | C29 | C28 | H10 | 41.7° | 149.8° |
| C34 | C29 | C30 | H29 | 179.9° | 179.7° |
| C29 | C34 | C33 | H32 | 179.9° | 179.9° |
| C03 | C02 | C04 | C05 | 68.8° | 62.3° |
| C03 | C02 | C04 | C01 | 120.0° | 120.1° |
| C03 | C02 | C01 | H11 | 56.9° | 60.1° |
| C03 | C02 | C01 | H12 | 63.1° | 59.9° |
| C03 | C02 | C01 | H13 | 176.9° | 179.9° |
| C02 | C03 | H14 | H15 | 120.0° | 120.1° |
| C02 | C03 | H14 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C03 | C02 | C04 | H17 | 170.7° | 57.6° |
| C03 | C02 | C04 | H18 | 51.7° | 177.7° |
| C03 | C02 | C41 | H39 | 48.9° | 177.8° |
| C03 | C02 | C41 | H40 | 167.3° | 57.6° |
| C05 | C04 | C02 | H17 | 120.5° | 119.9° |
| C05 | C04 | C02 | H18 | 120.5° | 120.0° |
| C05 | C04 | C02 | C01 | 171.2° | 177.6° |
| C05 | C04 | H17 | H18 | 118.4° | 120.1° |
| C04 | C05 | H19 | H20 | 121.0° | 119.9° |
| N11 | C12 | C13 | C10 | 0.5° | 0.1° |
| N11 | C12 | C13 | H24 | 180.0° | 179.9° |
| N11 | C12 | C13 | N14 | 179.5° | 180.0° |
| C10 | C13 | C12 | N14 | 180.0° | 180.0° |
| C10 | C13 | N14 | C37 | 2.3° | 56.1° |
| C10 | C13 | N14 | C15 | 160.5° | 178.9° |
| C13 | C10 | C09 | H23 | 179.3° | 180.0° |
| C10 | C13 | C12 | H24 | 179.5° | 180.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.1° |
| C32 | C31 | C30 | H30 | 180.0° | 179.9° |
| C32 | C31 | C30 | H29 | 179.9° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.7° |
| C04 | C02 | C01 | H11 | 61.8° | 60.0° |
| C04 | C02 | C01 | H12 | 178.2° | 179.9° |
| C04 | C02 | C01 | H13 | 58.2° | 60.0° |
| C04 | C02 | C03 | H14 | 62.5° | 60.0° |
| C04 | C02 | C03 | H15 | 57.5° | 180.0° |
| C04 | C02 | C03 | H16 | 177.5° | 60.0° |
| C02 | C04 | H17 | H18 | 118.4° | 120.1° |
| C02 | C04 | C05 | H19 | 174.2° | 60.8° |
| C02 | C04 | C05 | H20 | 53.6° | 179.2° |
| C04 | C02 | C41 | H39 | 166.9° | 62.2° |
| C04 | C02 | C41 | H40 | 74.7° | 177.6° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H14 | 56.8° | 179.9° |
| C01 | C02 | C03 | H15 | 176.9° | 59.8° |
| C01 | C02 | C03 | H16 | 63.2° | 60.1° |
| C01 | C02 | C04 | H17 | 50.7° | 62.5° |
| C01 | C02 | C04 | H18 | 68.2° | 57.6° |
| C01 | C02 | C41 | H39 | 73.9° | 57.7° |
| C01 | C02 | C41 | H40 | 44.5° | 62.5° |
| C29 | C28 | N27 | H9 | 121.8° | 120.0° |
| C29 | C28 | N27 | H10 | 121.8° | 120.0° |
| C28 | C29 | C30 | C31 | 179.8° | 180.0° |
| C29 | C28 | N27 | C26 | 78.8° | 180.0° |
| C29 | C28 | H9 | H10 | 114.2° | 120.0° |
| C28 | C29 | C30 | H29 | 0.2° | 0.1° |
| C28 | C29 | C34 | H33 | 0.3° | 0.2° |
| C29 | C28 | N27 | H42 | 158.6° | 0.0° |
| C30 | C29 | C28 | N27 | 16.6° | 90.0° |
| C29 | C30 | C31 | H29 | 180.0° | 179.9° |
| C30 | C29 | C28 | H9 | 105.2° | 150.0° |
| C30 | C29 | C28 | H10 | 138.4° | 30.0° |
| C29 | C30 | C31 | H30 | 179.9° | 180.0° |
| C30 | C29 | C34 | H33 | 179.8° | 180.0° |
| C28 | N27 | C26 | H42 | 122.6° | 179.9° |
| C28 | N27 | C26 | C35 | 16.1° | 0.0° |
| C28 | N27 | C26 | N25 | 163.6° | 180.0° |
| N27 | C28 | H9 | H10 | 114.2° | 119.9° |
| C12 | C13 | N14 | C37 | 177.7° | 124.0° |
| C12 | C13 | N14 | C15 | 19.5° | 1.1° |
| C12 | C13 | C10 | H1 | 179.8° | 179.9° |
| C13 | N14 | C37 | C15 | 160.5° | 123.3° |
| C13 | N14 | C37 | C38 | 171.7° | 173.7° |
| C13 | N14 | C15 | C16 | 137.9° | 167.6° |
| N14 | C13 | C10 | H1 | 0.2° | 0.0° |
| C13 | N14 | C15 | H2 | 101.7° | 47.8° |
| C13 | N14 | C15 | H3 | 17.4° | 72.6° |
| N14 | C13 | C12 | H24 | 0.5° | 0.0° |
| C13 | N14 | C37 | H35 | 51.1° | 53.5° |
| C13 | N14 | C37 | H36 | 67.7° | 66.2° |
| C30 | C31 | C32 | H31 | 179.8° | 180.0° |
| N14 | C37 | C38 | H35 | 120.6° | 120.2° |
| N14 | C37 | C38 | H36 | 120.6° | 120.0° |
| N14 | C37 | C38 | O39 | 176.6° | 162.8° |
| N14 | C37 | C38 | N36 | 3.1° | 17.2° |
| C37 | N14 | C15 | C16 | 62.8° | 69.1° |
| C37 | N14 | C15 | H2 | 57.6° | 171.2° |
| C37 | N14 | C15 | H3 | 176.7° | 50.8° |
| N14 | C37 | H35 | H36 | 118.1° | 119.7° |
| C15 | N14 | C37 | C38 | 27.8° | 50.3° |
| N14 | C15 | C16 | C19 | 59.1° | 70.0° |
| N14 | C15 | C16 | H2 | 120.4° | 119.8° |
| N14 | C15 | C16 | H3 | 120.5° | 119.9° |
| N14 | C15 | C16 | N36 | 60.7° | 50.3° |
| N14 | C15 | C16 | C17 | 172.2° | 170.6° |
| N14 | C15 | H2 | H3 | 118.6° | 120.4° |
| C15 | N14 | C37 | H35 | 148.4° | 69.8° |
| C15 | N14 | C37 | H36 | 92.8° | 170.4° |
| C37 | C38 | O39 | N36 | 179.7° | 180.0° |
| C37 | C38 | N36 | C16 | 0.1° | 1.7° |
| C38 | C37 | H35 | H36 | 118.1° | 119.8° |
| C37 | C38 | N36 | H43 | 179.9° | 178.3° |
| N27 | C26 | C35 | N25 | 179.7° | 180.0° |
| N27 | C26 | C35 | C22 | 179.9° | 180.0° |
| N27 | C26 | N25 | C24 | 179.5° | 180.0° |
| C26 | N27 | C28 | H9 | 43.0° | 60.0° |
| C26 | N27 | C28 | H10 | 159.4° | 60.0° |
| N27 | C26 | C35 | H34 | 0.1° | 0.0° |
| C20 | C19 | C16 | H27 | 121.0° | 119.9° |
| C20 | C19 | C16 | H28 | 121.0° | 119.9° |
| C19 | C20 | N21 | H6 | 120.4° | 120.0° |
| C19 | C20 | N21 | H7 | 120.4° | 120.0° |
| C20 | C19 | C16 | C15 | 170.6° | 177.4° |
| C20 | C19 | C16 | N36 | 70.9° | 62.0° |
| C20 | C19 | C16 | C17 | 42.7° | 57.8° |
| C19 | C20 | N21 | C22 | 135.4° | 174.2° |
| C19 | C20 | N21 | C18 | 52.8° | 61.7° |
| C19 | C20 | H6 | H7 | 118.8° | 120.0° |
| C20 | C19 | H27 | H28 | 116.9° | 120.1° |
| C16 | C19 | C20 | N21 | 48.9° | 59.2° |
| C19 | C16 | N36 | C38 | 100.1° | 102.0° |
| C19 | C16 | C15 | N36 | 119.7° | 120.3° |
| C19 | C16 | C15 | C17 | 128.8° | 119.4° |
| C19 | C16 | N36 | C17 | 116.9° | 119.6° |
| C19 | C16 | C17 | C18 | 42.2° | 57.8° |
| C19 | C16 | C15 | H2 | 179.5° | 49.8° |
| C19 | C16 | C15 | H3 | 61.4° | 170.1° |
| C19 | C16 | C17 | H4 | 163.0° | 177.7° |
| C19 | C16 | C17 | H5 | 78.5° | 62.0° |
| C16 | C19 | C20 | H6 | 169.3° | 179.3° |
| C16 | C19 | C20 | H7 | 71.5° | 60.8° |
| C16 | C19 | H27 | H28 | 116.8° | 120.1° |
| C19 | C16 | N36 | H43 | 79.9° | 77.9° |
| C20 | N21 | C22 | C35 | 2.5° | 179.7° |
| C20 | N21 | C22 | C18 | 170.4° | 124.3° |
| C20 | N21 | C22 | N23 | 176.3° | 0.0° |
| C20 | N21 | C18 | C17 | 54.9° | 61.7° |
| N21 | C20 | H6 | H7 | 118.7° | 120.0° |
| C20 | N21 | C18 | H25 | 175.8° | 58.3° |
| C20 | N21 | C18 | H26 | 65.9° | 178.3° |
| N21 | C20 | C19 | H27 | 169.9° | 179.1° |
| N21 | C20 | C19 | H28 | 72.1° | 60.7° |
| O39 | C38 | N36 | C16 | 179.6° | 178.3° |
| O39 | C38 | C37 | H35 | 62.8° | 77.0° |
| O39 | C38 | C37 | H36 | 56.0° | 42.8° |
| O39 | C38 | N36 | H43 | 0.4° | 1.6° |
| C38 | N36 | C16 | C15 | 29.5° | 18.2° |
| C38 | N36 | C16 | H43 | 180.0° | 180.0° |
| C38 | N36 | C16 | C17 | 143.0° | 138.4° |
| N36 | C38 | C37 | H35 | 117.5° | 102.9° |
| N36 | C38 | C37 | H36 | 123.7° | 137.3° |
| C26 | C35 | C22 | H34 | 180.0° | 180.0° |
| C26 | C35 | C22 | N21 | 179.9° | 179.7° |
| C26 | C35 | C22 | N23 | 1.3° | 0.0° |
| C35 | C26 | N25 | C24 | 0.2° | 0.0° |
| C35 | C26 | N27 | H42 | 106.5° | 180.0° |
| C22 | C35 | C26 | N25 | 0.4° | 0.0° |
| C35 | C22 | N21 | N23 | 178.8° | 179.7° |
| C35 | C22 | N21 | C18 | 172.9° | 55.5° |
| C35 | C22 | N23 | C24 | 1.6° | 0.1° |
| C15 | C16 | N36 | C17 | 113.5° | 120.2° |
| C15 | C16 | C17 | C18 | 177.3° | 177.4° |
| C16 | C15 | H2 | H3 | 118.7° | 120.3° |
| C15 | C16 | C17 | H4 | 62.0° | 62.7° |
| C15 | C16 | C17 | H5 | 56.5° | 57.5° |
| C15 | C16 | C19 | H27 | 68.4° | 62.7° |
| C15 | C16 | C19 | H28 | 49.6° | 57.4° |
| C15 | C16 | N36 | H43 | 150.5° | 161.9° |
| C26 | N25 | C24 | N23 | 0.2° | 0.0° |
| C26 | N25 | C24 | H8 | 179.8° | 180.0° |
| N25 | C26 | C35 | H34 | 179.6° | 180.0° |
| N25 | C26 | N27 | H42 | 73.8° | 0.0° |
| N36 | C16 | C17 | C18 | 72.1° | 62.0° |
| N36 | C16 | C15 | H2 | 59.8° | 170.1° |
| N36 | C16 | C15 | H3 | 178.9° | 69.6° |
| N36 | C16 | C17 | H4 | 48.6° | 57.9° |
| N36 | C16 | C17 | H5 | 167.2° | 178.1° |
| N36 | C16 | C19 | H27 | 50.1° | 57.9° |
| N36 | C16 | C19 | H28 | 168.1° | 178.0° |
| C16 | C17 | C18 | N21 | 50.7° | 59.3° |
| C16 | C17 | C18 | H4 | 120.7° | 119.9° |
| C16 | C17 | C18 | H5 | 120.7° | 119.9° |
| C17 | C16 | C15 | H2 | 51.7° | 69.6° |
| C17 | C16 | C15 | H3 | 67.4° | 50.7° |
| C16 | C17 | H4 | H5 | 117.7° | 120.2° |
| C16 | C17 | C18 | H25 | 171.5° | 60.8° |
| C16 | C17 | C18 | H26 | 70.2° | 179.2° |
| C17 | C16 | C19 | H27 | 163.7° | 177.7° |
| C17 | C16 | C19 | H28 | 78.3° | 62.1° |
| C17 | C16 | N36 | H43 | 37.0° | 41.7° |
| C22 | N21 | C18 | C17 | 133.9° | 174.2° |
| N21 | C22 | N23 | C24 | 179.6° | 179.7° |
| C22 | N21 | C20 | H6 | 15.0° | 54.2° |
| C22 | N21 | C20 | H7 | 104.2° | 65.8° |
| C22 | N21 | C18 | H25 | 13.0° | 65.8° |
| C22 | N21 | C18 | H26 | 105.3° | 54.2° |
| N21 | C22 | C35 | H34 | 0.1° | 0.2° |
| C18 | N21 | C22 | N23 | 5.9° | 124.3° |
| N21 | C18 | C17 | H25 | 120.8° | 120.0° |
| N21 | C18 | C17 | H26 | 120.8° | 120.0° |
| N21 | C18 | C17 | H4 | 171.4° | 179.2° |
| N21 | C18 | C17 | H5 | 70.1° | 60.7° |
| C18 | N21 | C20 | H6 | 173.3° | 178.3° |
| C18 | N21 | C20 | H7 | 67.6° | 58.3° |
| N21 | C18 | H25 | H26 | 117.4° | 120.0° |
| C22 | N23 | C24 | N25 | 1.1° | 0.0° |
| C22 | N23 | C24 | H8 | 178.9° | 180.0° |
| N23 | C22 | C35 | H34 | 178.7° | 180.0° |
| N25 | C24 | N23 | H8 | 180.0° | 179.9° |
| C18 | C17 | H4 | H5 | 117.7° | 120.1° |
| C17 | C18 | H25 | H26 | 117.4° | 120.0° |
| H1 | C10 | C09 | H23 | 0.7° | 0.2° |
| H4 | C17 | C18 | H25 | 67.8° | 59.1° |
| H4 | C17 | C18 | H26 | 50.6° | 60.9° |
| H5 | C17 | C18 | H25 | 50.8° | 179.3° |
| H5 | C17 | C18 | H26 | 169.1° | 59.3° |
| H6 | C20 | C19 | H27 | 69.7° | 60.8° |
| H6 | C20 | C19 | H28 | 48.3° | 59.3° |
| H7 | C20 | C19 | H27 | 49.5° | 59.1° |
| H7 | C20 | C19 | H28 | 167.5° | 179.3° |
| H9 | C28 | N27 | H42 | 79.6° | 120.1° |
| H10 | C28 | N27 | H42 | 36.8° | 120.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C03 | H15 | H16 | 120.0° | 120.0° |
| H17 | C04 | C05 | H19 | 65.3° | 59.1° |
| H17 | C04 | C05 | H20 | 174.1° | 60.9° |
| H18 | C04 | C05 | H19 | 53.7° | 179.1° |
| H18 | C04 | C05 | H20 | 67.0° | 59.2° |
| H29 | C30 | C31 | H30 | 0.1° | 0.1° |
| H30 | C31 | C32 | H31 | 0.2° | 0.0° |
| H31 | C32 | C33 | H32 | 0.1° | 0.3° |
| H32 | C33 | C34 | H33 | 0.2° | 0.6° |
| H37 | C40 | C41 | H39 | 57.3° | 59.3° |
| H37 | C40 | C41 | H40 | 175.7° | 60.8° |
| H38 | C40 | C41 | H39 | 62.8° | 179.2° |
| H38 | C40 | C41 | H40 | 55.5° | 59.1° |
