UEW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C04 | sing | 1.53Å | 1.56Å | |
| C04 | N05 | sing | 1.48Å | 1.42Å | |
| C04 | C39 | sing | 1.52Å | 1.45Å | |
| C06 | N05 | sing | 1.47Å | 1.12Å | |
| C06 | C07 | sing | 1.51Å | 1.56Å | |
| N05 | C38 | sing | 1.48Å | 1.44Å | |
| C42 | C39 | sing | 1.53Å | 1.55Å | |
| C42 | C41 | sing | 1.54Å | 1.54Å | |
| C10 | C07 | doub | 1.38Å | 1.54Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.53Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.54Å | Aromatic |
| C34 | C29 | sing | 1.38Å | 1.52Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.53Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.52Å | Aromatic |
| C39 | C38 | sing | 1.52Å | 1.41Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | doub | 1.40Å | 1.52Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.58Å | |
| C28 | N27 | sing | 1.47Å | 1.52Å | |
| C29 | C30 | doub | 1.38Å | 1.54Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.53Å | Aromatic |
| C41 | C40 | sing | 1.54Å | 1.53Å | |
| C08 | C09 | doub | 1.38Å | 1.55Å | Aromatic |
| C12 | C09 | sing | 1.40Å | 1.51Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C19 | N21 | sing | 1.47Å | 1.53Å | |
| N27 | C26 | sing | 1.39Å | 1.50Å | |
| C30 | C31 | sing | 1.38Å | 1.54Å | Aromatic |
| C35 | C26 | doub | 1.39Å | 1.49Å | Aromatic |
| C35 | C22 | sing | 1.39Å | 1.50Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.47Å | |
| N21 | C22 | sing | 1.39Å | 1.47Å | |
| N21 | C20 | sing | 1.47Å | 1.55Å | |
| C13 | O37 | doub | 1.22Å | 1.21Å | |
| C13 | N14 | sing | 1.35Å | 1.49Å | |
| C26 | N25 | sing | 1.33Å | 1.44Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.44Å | |
| C22 | N23 | doub | 1.33Å | 1.43Å | Aromatic |
| C20 | C16 | sing | 1.53Å | 1.56Å | |
| N14 | C15 | sing | 1.46Å | 1.47Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | O36 | sing | 1.43Å | 1.45Å | |
| N25 | C24 | doub | 1.32Å | 1.50Å | Aromatic |
| N23 | C24 | sing | 1.32Å | 1.47Å | 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 | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C06 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.08Å | 1.08Å | |
| C09 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| N14 | H43 | sing | 0.97Å | 1.00Å | |
| N27 | H44 | sing | 0.97Å | 1.00Å | |
| O36 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 108.8° | 109.5° |
| C03 | C02 | C04 | 113.5° | 109.4° |
| C03 | C02 | H14 | 107.4° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.4° |
| C02 | C03 | H16 | 109.4° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.4° |
| C01 | C02 | C04 | 112.6° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C01 | C02 | H14 | 107.1° | 109.5° |
| C02 | C04 | N05 | 114.7° | 113.5° |
| C02 | C04 | C39 | 112.1° | 113.5° |
| C04 | C02 | H14 | 107.1° | 109.5° |
| C02 | C04 | H18 | 112.3° | 112.8° |
| N05 | C04 | C39 | 87.0° | 87.6° |
| C04 | N05 | C06 | 113.7° | 111.0° |
| C04 | N05 | C38 | 87.5° | 88.1° |
| N05 | C04 | H18 | 114.5° | 113.5° |
| C04 | C39 | C42 | 106.0° | 122.0° |
| C04 | C39 | C38 | 87.9° | 84.8° |
| C04 | C39 | C40 | 157.5° | 122.0° |
| C39 | C04 | H18 | 114.0° | 113.6° |
| N05 | C06 | C07 | 108.0° | 109.5° |
| C06 | N05 | C38 | 113.5° | 111.0° |
| N05 | C06 | H19 | 109.9° | 109.5° |
| N05 | C06 | H20 | 109.9° | 109.5° |
| C06 | C07 | C10 | 120.4° | 119.8° |
| C06 | C07 | C08 | 119.7° | 119.9° |
| C07 | C06 | H19 | 109.9° | 109.4° |
| C07 | C06 | H20 | 109.8° | 109.5° |
| N05 | C38 | C39 | 87.6° | 87.6° |
| N05 | C38 | H34 | 114.7° | 113.5° |
| N05 | C38 | H35 | 114.6° | 113.6° |
| C39 | C42 | C41 | 89.5° | 86.7° |
| C42 | C39 | C38 | 111.8° | 122.0° |
| C42 | C39 | C40 | 89.6° | 88.4° |
| C39 | C42 | H40 | 114.2° | 113.7° |
| C39 | C42 | H41 | 114.2° | 113.7° |
| C42 | C41 | C40 | 90.1° | 87.3° |
| C42 | C41 | H38 | 114.1° | 113.6° |
| C42 | C41 | H39 | 114.1° | 113.7° |
| C41 | C42 | H40 | 114.2° | 113.7° |
| C41 | C42 | H41 | 114.2° | 113.7° |
| C07 | C10 | C11 | 119.1° | 120.2° |
| C10 | C07 | C08 | 119.9° | 120.3° |
| C07 | C10 | H1 | 120.5° | 119.9° |
| C10 | C11 | C12 | 119.3° | 119.9° |
| C11 | C10 | H1 | 120.4° | 119.9° |
| C10 | C11 | H23 | 120.4° | 120.1° |
| C33 | C34 | C29 | 119.5° | 120.0° |
| C34 | C33 | C32 | 121.0° | 119.9° |
| C34 | C33 | H31 | 119.5° | 120.0° |
| C33 | C34 | H32 | 120.3° | 119.9° |
| C34 | C29 | C28 | 118.2° | 120.0° |
| C34 | C29 | C30 | 119.7° | 120.0° |
| C29 | C34 | H32 | 120.2° | 120.0° |
| C33 | C32 | C31 | 119.8° | 120.0° |
| C33 | C32 | H30 | 120.1° | 120.0° |
| C32 | C33 | H31 | 119.5° | 120.0° |
| C07 | C08 | C09 | 121.8° | 120.1° |
| C07 | C08 | H21 | 119.1° | 119.9° |
| C38 | C39 | C40 | 101.5° | 122.0° |
| C39 | C38 | H34 | 114.6° | 113.6° |
| C39 | C38 | H35 | 114.7° | 113.5° |
| C39 | C40 | C41 | 89.9° | 86.7° |
| C39 | C40 | H36 | 114.1° | 113.7° |
| C39 | C40 | H37 | 114.1° | 113.7° |
| C11 | C12 | C09 | 123.2° | 119.7° |
| C11 | C12 | C13 | 121.5° | 120.1° |
| C12 | C11 | H23 | 120.4° | 120.0° |
| C29 | C28 | N27 | 115.4° | 109.5° |
| C28 | C29 | C30 | 122.1° | 120.0° |
| C29 | C28 | H9 | 108.0° | 109.5° |
| C29 | C28 | H10 | 108.0° | 109.5° |
| C28 | N27 | C26 | 122.2° | 120.0° |
| N27 | C28 | H9 | 108.0° | 109.4° |
| N27 | C28 | H10 | 108.0° | 109.4° |
| C28 | N27 | H44 | 106.2° | 120.0° |
| C29 | C30 | C31 | 120.7° | 120.0° |
| C29 | C30 | H28 | 119.7° | 120.0° |
| C32 | C31 | C30 | 119.4° | 120.0° |
| C32 | C31 | H29 | 120.3° | 120.0° |
| C31 | C32 | H30 | 120.1° | 120.0° |
| C41 | C40 | H36 | 114.1° | 113.7° |
| C41 | C40 | H37 | 114.1° | 113.8° |
| C40 | C41 | H38 | 114.1° | 113.6° |
| C40 | C41 | H39 | 114.1° | 113.6° |
| C08 | C09 | C12 | 116.8° | 119.9° |
| C09 | C08 | H21 | 119.1° | 120.0° |
| C08 | C09 | H22 | 121.6° | 120.1° |
| C09 | C12 | C13 | 115.3° | 120.1° |
| C12 | C09 | H22 | 121.6° | 120.1° |
| C12 | C13 | O37 | 119.9° | 120.0° |
| C12 | C13 | N14 | 116.2° | 120.0° |
| C18 | C19 | N21 | 114.0° | 109.5° |
| C19 | C18 | C17 | 111.6° | 109.3° |
| C19 | C18 | H24 | 109.0° | 109.5° |
| C19 | C18 | H25 | 108.9° | 109.5° |
| C18 | C19 | H26 | 108.4° | 109.5° |
| C18 | C19 | H27 | 108.3° | 109.4° |
| C19 | N21 | C22 | 121.5° | 111.0° |
| C19 | N21 | C20 | 112.4° | 111.2° |
| N21 | C19 | H26 | 108.3° | 109.5° |
| N21 | C19 | H27 | 108.3° | 109.5° |
| N27 | C26 | C35 | 120.5° | 120.5° |
| N27 | C26 | N25 | 118.9° | 120.5° |
| C26 | N27 | H44 | 106.2° | 120.0° |
| C31 | C30 | H28 | 119.7° | 120.0° |
| C30 | C31 | H29 | 120.3° | 120.0° |
| C26 | C35 | C22 | 117.7° | 118.3° |
| C35 | C26 | N25 | 120.6° | 119.0° |
| C26 | C35 | H33 | 121.1° | 120.9° |
| C35 | C22 | N21 | 119.8° | 120.5° |
| C35 | C22 | N23 | 121.6° | 119.0° |
| C22 | C35 | H33 | 121.2° | 120.8° |
| C18 | C17 | C16 | 110.6° | 109.2° |
| C18 | C17 | H4 | 109.2° | 109.5° |
| C18 | C17 | H5 | 109.2° | 109.6° |
| C17 | C18 | H24 | 109.0° | 109.5° |
| C17 | C18 | H25 | 108.9° | 109.5° |
| C22 | N21 | C20 | 121.3° | 111.0° |
| N21 | C22 | N23 | 118.6° | 120.5° |
| N21 | C20 | C16 | 111.2° | 109.6° |
| N21 | C20 | H6 | 109.0° | 109.5° |
| N21 | C20 | H7 | 109.0° | 109.4° |
| O37 | C13 | N14 | 123.8° | 120.0° |
| C13 | N14 | C15 | 116.7° | 120.0° |
| C13 | N14 | H43 | 121.6° | 120.0° |
| C26 | N25 | C24 | 120.7° | 120.9° |
| C17 | C16 | C20 | 111.3° | 109.3° |
| C17 | C16 | C15 | 112.0° | 109.5° |
| C17 | C16 | O36 | 107.7° | 109.5° |
| C16 | C17 | H4 | 109.2° | 109.5° |
| C16 | C17 | H5 | 109.2° | 109.5° |
| C22 | N23 | C24 | 120.4° | 120.9° |
| C20 | C16 | C15 | 108.6° | 109.5° |
| C20 | C16 | O36 | 110.9° | 109.5° |
| C16 | C20 | H6 | 109.0° | 109.5° |
| C16 | C20 | H7 | 109.1° | 109.5° |
| N14 | C15 | C16 | 106.6° | 109.5° |
| N14 | C15 | H2 | 110.2° | 109.5° |
| N14 | C15 | H3 | 110.2° | 109.5° |
| C15 | N14 | H43 | 121.6° | 120.1° |
| C15 | C16 | O36 | 106.2° | 109.5° |
| C16 | C15 | H2 | 110.2° | 109.5° |
| C16 | C15 | H3 | 110.2° | 109.5° |
| C16 | O36 | H45 | 109.5° | 114.0° |
| N25 | C24 | N23 | 119.0° | 121.9° |
| N25 | C24 | H8 | 120.5° | 119.1° |
| N23 | C24 | H8 | 120.5° | 119.0° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.4° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.4° |
| H12 | C01 | H13 | 109.4° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H17 | 109.5° | 109.5° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H19 | C06 | H20 | 109.4° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.4° |
| H34 | C38 | H35 | 109.5° | 112.8° |
| H36 | C40 | H37 | 109.5° | 112.9° |
| H38 | C41 | H39 | 109.5° | 112.8° |
| H40 | C42 | H41 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | C04 | 126.7° | 120.0° |
| C03 | C02 | C01 | H14 | 115.8° | 120.0° |
| C03 | C02 | C04 | H14 | 118.3° | 120.0° |
| C03 | C02 | C04 | N05 | 69.7° | 53.6° |
| C03 | C02 | C04 | C39 | 166.8° | 151.6° |
| C03 | C02 | C01 | H11 | 180.0° | 53.1° |
| C03 | C02 | C01 | H12 | 60.0° | 67.0° |
| C03 | C02 | C01 | H13 | 60.0° | 173.0° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H17 | 120.0° | 120.0° |
| C02 | C03 | H16 | H17 | 120.0° | 120.0° |
| C03 | C02 | C04 | H18 | 63.2° | 77.4° |
| C01 | C02 | C04 | H14 | 117.5° | 120.0° |
| C01 | C02 | C04 | N05 | 166.1° | 173.6° |
| C01 | C02 | C04 | C39 | 69.0° | 88.4° |
| C02 | C01 | H11 | H12 | 120.0° | 120.1° |
| C02 | C01 | H11 | H13 | 120.0° | 119.9° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H15 | 180.0° | 65.4° |
| C01 | C02 | C03 | H16 | 60.0° | 174.6° |
| C01 | C02 | C03 | H17 | 60.0° | 54.6° |
| C01 | C02 | C04 | H18 | 60.9° | 42.6° |
| C02 | C04 | N05 | C39 | 113.0° | 114.7° |
| C02 | C04 | N05 | H18 | 131.9° | 130.6° |
| C02 | C04 | C39 | H18 | 129.0° | 130.6° |
| C02 | C04 | N05 | C06 | 109.1° | 107.5° |
| C02 | C04 | N05 | C38 | 136.2° | 140.7° |
| C02 | C04 | C39 | C42 | 108.6° | 95.3° |
| C02 | C04 | C39 | C38 | 139.3° | 139.9° |
| C02 | C04 | C39 | C40 | 23.5° | 15.2° |
| C04 | C02 | C01 | H11 | 53.3° | 66.9° |
| C04 | C02 | C01 | H12 | 66.8° | 173.1° |
| C04 | C02 | C01 | H13 | 173.3° | 53.1° |
| C04 | C02 | C03 | H15 | 53.8° | 54.6° |
| C04 | C02 | C03 | H16 | 173.8° | 65.4° |
| C04 | C02 | C03 | H17 | 66.2° | 174.6° |
| N05 | C04 | C39 | H18 | 115.5° | 114.7° |
| C04 | N05 | C06 | C38 | 98.0° | 96.3° |
| C04 | N05 | C06 | C07 | 164.1° | 170.0° |
| N05 | C04 | C39 | C42 | 135.9° | 150.0° |
| N05 | C04 | C39 | C38 | 23.9° | 25.2° |
| N05 | C04 | C39 | C40 | 92.0° | 99.5° |
| N05 | C04 | C02 | H14 | 48.6° | 66.4° |
| C04 | N05 | C06 | H19 | 76.1° | 70.0° |
| C04 | N05 | C06 | H20 | 44.4° | 50.0° |
| C04 | N05 | C38 | H34 | 139.9° | 88.7° |
| C04 | N05 | C38 | H35 | 92.2° | 140.7° |
| C39 | C04 | N05 | C06 | 137.8° | 137.8° |
| C04 | C39 | C42 | C38 | 94.2° | 105.3° |
| C04 | C39 | C42 | C40 | 163.5° | 127.3° |
| C04 | C39 | C42 | C41 | 171.0° | 102.6° |
| C04 | C39 | C38 | C40 | 159.4° | 124.7° |
| C04 | C39 | C40 | C41 | 142.0° | 102.6° |
| C39 | C04 | C02 | H14 | 48.5° | 31.6° |
| C04 | C39 | C38 | H34 | 139.5° | 89.5° |
| C04 | C39 | C38 | H35 | 92.6° | 140.0° |
| C04 | C39 | C40 | H36 | 25.5° | 11.8° |
| C04 | C39 | C40 | H37 | 101.5° | 142.8° |
| C04 | C39 | C42 | H40 | 72.5° | 142.9° |
| C04 | C39 | C42 | H41 | 54.5° | 11.9° |
| N05 | C06 | C07 | H19 | 119.8° | 120.0° |
| N05 | C06 | C07 | H20 | 119.8° | 120.0° |
| N05 | C06 | C07 | C10 | 139.2° | 90.0° |
| N05 | C06 | C07 | C08 | 41.1° | 90.0° |
| C06 | N05 | C38 | C39 | 138.7° | 137.8° |
| C06 | N05 | C04 | H18 | 22.7° | 23.0° |
| N05 | C06 | H19 | H20 | 120.7° | 120.0° |
| C06 | N05 | C38 | H34 | 105.2° | 23.1° |
| C06 | N05 | C38 | H35 | 22.6° | 107.5° |
| C07 | C06 | N05 | C38 | 66.1° | 93.7° |
| C06 | C07 | C10 | C08 | 179.7° | 180.0° |
| C06 | C07 | C10 | C11 | 178.5° | 180.0° |
| C06 | C07 | C08 | C09 | 178.5° | 180.0° |
| C06 | C07 | C10 | H1 | 1.5° | 0.2° |
| C07 | C06 | H19 | H20 | 120.7° | 120.0° |
| C06 | C07 | C08 | H21 | 1.5° | 0.0° |
| N05 | C38 | C39 | C42 | 129.8° | 150.0° |
| N05 | C38 | C39 | H34 | 116.1° | 114.7° |
| N05 | C38 | C39 | H35 | 116.0° | 114.7° |
| N05 | C38 | C39 | C40 | 136.0° | 99.5° |
| C38 | N05 | C04 | H18 | 91.9° | 88.8° |
| C38 | N05 | C06 | H19 | 174.1° | 26.3° |
| C38 | N05 | C06 | H20 | 53.6° | 146.3° |
| N05 | C38 | H34 | H35 | 130.4° | 131.0° |
| C39 | C42 | C41 | H40 | 116.5° | 114.5° |
| C39 | C42 | C41 | H41 | 116.4° | 114.5° |
| C42 | C39 | C38 | C40 | 94.2° | 110.5° |
| C39 | C42 | C41 | C40 | 7.5° | 24.5° |
| C42 | C39 | C04 | H18 | 20.4° | 35.3° |
| C42 | C39 | C38 | H34 | 114.1° | 35.3° |
| C42 | C39 | C38 | H35 | 13.7° | 95.3° |
| C42 | C39 | C40 | H36 | 109.0° | 139.2° |
| C42 | C39 | C40 | H37 | 124.1° | 89.8° |
| C39 | C42 | C41 | H38 | 109.1° | 90.1° |
| C39 | C42 | C41 | H39 | 124.1° | 139.1° |
| C39 | C42 | H40 | H41 | 129.5° | 131.4° |
| C41 | C42 | C39 | C38 | 94.7° | 152.1° |
| C42 | C41 | C40 | H38 | 116.6° | 114.6° |
| C42 | C41 | C40 | H39 | 116.6° | 114.7° |
| C42 | C41 | C40 | H36 | 109.0° | 138.9° |
| C42 | C41 | C40 | H37 | 124.1° | 89.9° |
| C42 | C41 | H38 | H39 | 129.2° | 131.2° |
| C41 | C42 | H40 | H41 | 129.5° | 131.4° |
| C07 | C10 | C11 | H1 | 180.0° | 179.8° |
| C07 | C10 | C11 | C12 | 1.0° | 0.0° |
| C10 | C07 | C08 | C09 | 1.8° | 0.0° |
| C10 | C07 | C06 | H19 | 101.1° | 150.0° |
| C10 | C07 | C06 | H20 | 19.4° | 30.0° |
| C10 | C07 | C08 | H21 | 178.2° | 180.0° |
| C07 | C10 | C11 | H23 | 179.0° | 180.0° |
| C11 | C10 | C07 | C08 | 1.8° | 0.0° |
| C10 | C11 | C12 | H23 | 180.0° | 180.0° |
| C10 | C11 | C12 | C09 | 0.0° | 0.0° |
| C10 | C11 | C12 | C13 | 180.0° | 180.0° |
| C33 | C34 | C29 | H32 | 180.0° | 179.4° |
| C34 | C33 | C32 | H31 | 180.0° | 179.8° |
| C33 | C34 | C29 | C28 | 179.9° | 179.7° |
| C33 | C34 | C29 | C30 | 0.1° | 0.5° |
| C34 | C33 | C32 | C31 | 0.0° | 0.3° |
| C34 | C33 | C32 | H30 | 180.0° | 179.7° |
| C29 | C34 | C33 | C32 | 0.2° | 0.5° |
| C34 | C29 | C28 | C30 | 179.8° | 179.8° |
| C34 | C29 | C28 | N27 | 161.7° | 90.3° |
| C34 | C29 | C30 | C31 | 0.1° | 0.2° |
| C34 | C29 | C28 | H9 | 40.8° | 29.7° |
| C34 | C29 | C28 | H10 | 77.4° | 149.8° |
| C34 | C29 | C30 | H28 | 179.9° | 179.7° |
| C29 | C34 | C33 | H31 | 179.9° | 179.7° |
| C33 | C32 | C31 | H30 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.2° | 0.0° |
| C33 | C32 | C31 | H29 | 179.8° | 179.9° |
| C32 | C33 | C34 | H32 | 179.8° | 180.0° |
| C07 | C08 | C09 | H21 | 180.0° | 180.0° |
| C07 | C08 | C09 | C12 | 0.8° | 0.0° |
| C08 | C07 | C10 | H1 | 178.2° | 179.7° |
| C08 | C07 | C06 | H19 | 78.6° | 30.0° |
| C08 | C07 | C06 | H20 | 160.9° | 150.0° |
| C07 | C08 | C09 | H22 | 179.2° | 179.9° |
| C38 | C39 | C40 | C41 | 104.6° | 152.1° |
| C38 | C39 | C04 | H18 | 91.7° | 89.5° |
| C39 | C38 | H34 | H35 | 130.4° | 130.9° |
| C38 | C39 | C40 | H36 | 138.8° | 93.4° |
| C38 | C39 | C40 | H37 | 11.9° | 37.6° |
| C38 | C39 | C42 | H40 | 21.7° | 37.6° |
| C38 | C39 | C42 | H41 | 148.8° | 93.4° |
| C39 | C40 | C41 | H36 | 116.5° | 114.4° |
| C39 | C40 | C41 | H37 | 116.5° | 114.4° |
| C40 | C39 | C04 | H18 | 152.5° | 145.8° |
| C40 | C39 | C38 | H34 | 20.0° | 145.8° |
| C40 | C39 | C38 | H35 | 107.9° | 15.3° |
| C39 | C40 | H36 | H37 | 129.3° | 131.4° |
| C39 | C40 | C41 | H38 | 109.0° | 90.1° |
| C39 | C40 | C41 | H39 | 124.1° | 139.2° |
| C40 | C39 | C42 | H40 | 123.9° | 89.7° |
| C40 | C39 | C42 | H41 | 109.0° | 139.2° |
| C11 | C12 | C09 | C08 | 0.1° | 0.0° |
| C11 | C12 | C09 | C13 | 180.0° | 180.0° |
| C11 | C12 | C13 | O37 | 17.8° | 0.0° |
| C11 | C12 | C13 | N14 | 164.5° | 180.0° |
| C12 | C11 | C10 | H1 | 179.0° | 179.8° |
| C11 | C12 | C09 | H22 | 179.9° | 180.0° |
| C29 | C28 | N27 | H9 | 120.9° | 120.0° |
| C29 | C28 | N27 | H10 | 120.9° | 120.0° |
| C29 | C28 | N27 | C26 | 69.2° | 180.0° |
| C28 | C29 | C30 | C31 | 179.7° | 180.0° |
| C29 | C28 | H9 | H10 | 117.3° | 120.0° |
| C28 | C29 | C30 | H28 | 0.3° | 0.0° |
| C28 | C29 | C34 | H32 | 0.0° | 0.3° |
| C29 | C28 | N27 | H44 | 169.0° | 0.0° |
| N27 | C28 | C29 | C30 | 18.5° | 90.0° |
| C28 | N27 | C26 | H44 | 121.8° | 180.0° |
| C28 | N27 | C26 | C35 | 13.5° | 0.0° |
| C28 | N27 | C26 | N25 | 166.4° | 180.0° |
| N27 | C28 | H9 | H10 | 117.3° | 119.9° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C29 | C30 | C31 | H28 | 180.0° | 180.0° |
| C30 | C29 | C28 | H9 | 139.4° | 150.0° |
| C30 | C29 | C28 | H10 | 102.4° | 30.0° |
| C29 | C30 | C31 | H29 | 179.7° | 180.0° |
| C30 | C29 | C34 | H32 | 179.9° | 180.0° |
| C32 | C31 | C30 | H29 | 180.0° | 179.9° |
| C32 | C31 | C30 | H28 | 179.8° | 180.0° |
| C31 | C32 | C33 | H31 | 180.0° | 180.0° |
| C41 | C40 | H36 | H37 | 129.3° | 131.5° |
| C40 | C41 | H38 | H39 | 129.2° | 131.0° |
| C40 | C41 | C42 | H40 | 124.0° | 90.0° |
| C40 | C41 | C42 | H41 | 108.9° | 139.0° |
| C08 | C09 | C12 | H22 | 180.0° | 179.9° |
| C08 | C09 | C12 | C13 | 179.9° | 180.0° |
| C09 | C12 | C13 | O37 | 162.2° | 180.0° |
| C09 | C12 | C13 | N14 | 15.5° | 0.0° |
| C12 | C09 | C08 | H21 | 179.2° | 180.0° |
| C09 | C12 | C11 | H23 | 180.0° | 180.0° |
| C12 | C13 | O37 | N14 | 177.5° | 180.0° |
| C12 | C13 | N14 | C15 | 178.9° | 180.0° |
| C13 | C12 | C09 | H22 | 0.1° | 0.0° |
| C13 | C12 | C11 | H23 | 0.0° | 0.0° |
| C12 | C13 | N14 | H43 | 1.1° | 0.0° |
| C18 | C19 | N21 | H26 | 120.7° | 120.1° |
| C18 | C19 | N21 | H27 | 120.6° | 120.0° |
| C19 | C18 | C17 | H24 | 120.3° | 119.9° |
| C19 | C18 | C17 | H25 | 120.3° | 120.0° |
| C18 | C19 | N21 | C22 | 113.0° | 174.2° |
| C18 | C19 | N21 | C20 | 42.6° | 61.7° |
| C19 | C18 | C17 | C16 | 60.0° | 57.6° |
| C19 | C18 | C17 | H4 | 179.8° | 177.6° |
| C19 | C18 | C17 | H5 | 60.2° | 62.2° |
| C19 | C18 | H24 | H25 | 119.0° | 120.1° |
| C18 | C19 | H26 | H27 | 118.0° | 120.0° |
| C19 | N21 | C22 | C35 | 47.6° | 56.3° |
| N21 | C19 | C18 | C17 | 49.5° | 59.2° |
| C19 | N21 | C22 | C20 | 153.5° | 124.2° |
| C19 | N21 | C22 | N23 | 133.9° | 123.9° |
| C19 | N21 | C20 | C16 | 44.8° | 61.7° |
| C19 | N21 | C20 | H6 | 75.4° | 58.3° |
| C19 | N21 | C20 | H7 | 165.1° | 178.3° |
| N21 | C19 | C18 | H24 | 70.8° | 60.8° |
| N21 | C19 | C18 | H25 | 169.8° | 179.2° |
| N21 | C19 | H26 | H27 | 117.9° | 120.0° |
| N27 | C26 | C35 | N25 | 179.9° | 180.0° |
| N27 | C26 | C35 | C22 | 179.3° | 180.0° |
| N27 | C26 | N25 | C24 | 179.4° | 180.0° |
| C26 | N27 | C28 | H9 | 51.6° | 60.0° |
| C26 | N27 | C28 | H10 | 169.9° | 60.0° |
| N27 | C26 | C35 | H33 | 0.7° | 0.0° |
| C30 | C31 | C32 | H30 | 179.8° | 180.0° |
| C26 | C35 | C22 | H33 | 180.0° | 180.0° |
| C26 | C35 | C22 | N21 | 179.5° | 179.7° |
| C26 | C35 | C22 | N23 | 1.0° | 0.0° |
| C35 | C26 | N25 | C24 | 0.5° | 0.0° |
| C35 | C26 | N27 | H44 | 108.2° | 179.9° |
| C35 | C22 | N21 | N23 | 178.5° | 179.7° |
| C35 | C22 | N21 | C20 | 158.9° | 179.5° |
| C22 | C35 | C26 | N25 | 0.6° | 0.0° |
| C35 | C22 | N23 | C24 | 1.3° | 0.0° |
| C18 | C17 | C16 | H4 | 120.2° | 119.9° |
| C18 | C17 | C16 | H5 | 120.2° | 120.0° |
| C18 | C17 | C16 | C20 | 63.8° | 57.6° |
| C18 | C17 | C16 | C15 | 174.4° | 62.3° |
| C18 | C17 | C16 | O36 | 57.9° | 177.6° |
| C18 | C17 | H4 | H5 | 119.5° | 120.3° |
| C17 | C18 | H24 | H25 | 119.1° | 120.1° |
| C17 | C18 | C19 | H26 | 71.1° | 179.2° |
| C17 | C18 | C19 | H27 | 170.2° | 60.8° |
| C22 | N21 | C20 | C16 | 110.9° | 174.2° |
| N21 | C22 | N23 | C24 | 179.9° | 179.7° |
| C22 | N21 | C20 | H6 | 128.9° | 65.8° |
| C22 | N21 | C20 | H7 | 9.4° | 54.1° |
| C22 | N21 | C19 | H26 | 126.3° | 54.1° |
| C22 | N21 | C19 | H27 | 7.6° | 65.8° |
| N21 | C22 | C35 | H33 | 0.5° | 0.3° |
| N21 | C20 | C16 | C17 | 56.1° | 59.1° |
| C20 | N21 | C22 | N23 | 19.6° | 0.3° |
| N21 | C20 | C16 | H6 | 120.2° | 120.0° |
| N21 | C20 | C16 | H7 | 120.2° | 120.0° |
| N21 | C20 | C16 | C15 | 179.9° | 60.8° |
| N21 | C20 | C16 | O36 | 63.8° | 179.1° |
| N21 | C20 | H6 | H7 | 119.2° | 119.9° |
| C20 | N21 | C19 | H26 | 78.1° | 178.2° |
| C20 | N21 | C19 | H27 | 163.2° | 58.3° |
| O37 | C13 | N14 | C15 | 1.4° | 0.0° |
| O37 | C13 | N14 | H43 | 178.6° | 180.0° |
| C13 | N14 | C15 | H43 | 180.0° | 180.0° |
| C13 | N14 | C15 | C16 | 94.7° | 180.0° |
| C13 | N14 | C15 | H2 | 24.9° | 60.0° |
| C13 | N14 | C15 | H3 | 145.8° | 60.0° |
| C26 | N25 | C24 | N23 | 0.7° | 0.1° |
| C26 | N25 | C24 | H8 | 179.3° | 180.0° |
| N25 | C26 | C35 | H33 | 179.4° | 180.0° |
| N25 | C26 | N27 | H44 | 71.8° | 0.0° |
| C17 | C16 | C20 | C15 | 123.8° | 119.9° |
| C17 | C16 | C20 | O36 | 119.9° | 120.0° |
| C17 | C16 | C15 | N14 | 75.9° | 55.0° |
| C17 | C16 | C15 | O36 | 117.4° | 120.1° |
| C17 | C16 | C15 | H2 | 43.7° | 65.0° |
| C17 | C16 | C15 | H3 | 164.6° | 175.1° |
| C16 | C17 | H4 | H5 | 119.5° | 120.1° |
| C17 | C16 | C20 | H6 | 64.2° | 60.9° |
| C17 | C16 | C20 | H7 | 176.3° | 179.2° |
| C16 | C17 | C18 | H24 | 60.3° | 62.3° |
| C16 | C17 | C18 | H25 | 179.7° | 177.6° |
| C17 | C16 | O36 | H45 | 180.0° | 60.0° |
| C22 | N23 | C24 | N25 | 1.2° | 0.1° |
| C22 | N23 | C24 | H8 | 178.8° | 180.0° |
| N23 | C22 | C35 | H33 | 179.0° | 180.0° |
| C20 | C16 | C15 | N14 | 47.5° | 174.8° |
| C20 | C16 | C15 | O36 | 119.3° | 120.1° |
| C20 | C16 | C15 | H2 | 167.1° | 54.8° |
| C20 | C16 | C15 | H3 | 72.1° | 65.2° |
| C20 | C16 | C17 | H4 | 176.0° | 177.5° |
| C20 | C16 | C17 | H5 | 56.4° | 62.4° |
| C16 | C20 | H6 | H7 | 119.3° | 120.0° |
| C20 | C16 | O36 | H45 | 58.0° | 179.8° |
| N14 | C15 | C16 | H2 | 119.6° | 120.0° |
| N14 | C15 | C16 | H3 | 119.5° | 120.1° |
| N14 | C15 | C16 | O36 | 166.8° | 65.1° |
| N14 | C15 | H2 | H3 | 121.3° | 120.0° |
| C16 | C15 | H2 | H3 | 121.3° | 120.0° |
| C15 | C16 | C17 | H4 | 54.2° | 57.6° |
| C15 | C16 | C17 | H5 | 65.4° | 177.7° |
| C15 | C16 | C20 | H6 | 59.6° | 179.2° |
| C15 | C16 | C20 | H7 | 59.9° | 59.2° |
| C16 | C15 | N14 | H43 | 85.4° | 0.0° |
| C15 | C16 | O36 | H45 | 59.8° | 60.1° |
| O36 | C16 | C15 | H2 | 73.7° | 174.9° |
| O36 | C16 | C15 | H3 | 47.2° | 55.0° |
| O36 | C16 | C17 | H4 | 62.3° | 62.5° |
| O36 | C16 | C17 | H5 | 178.1° | 57.6° |
| O36 | C16 | C20 | H6 | 176.0° | 59.1° |
| O36 | C16 | C20 | H7 | 56.5° | 60.9° |
| N25 | C24 | N23 | H8 | 180.0° | 180.0° |
| H1 | C10 | C11 | H23 | 1.0° | 0.2° |
| H2 | C15 | N14 | H43 | 155.1° | 120.0° |
| H3 | C15 | N14 | H43 | 34.2° | 120.1° |
| H4 | C17 | C18 | H24 | 59.8° | 57.6° |
| H4 | C17 | C18 | H25 | 59.5° | 62.5° |
| H5 | C17 | C18 | H24 | 179.5° | 177.8° |
| H5 | C17 | C18 | H25 | 60.1° | 57.7° |
| H9 | C28 | N27 | H44 | 70.1° | 120.0° |
| H10 | C28 | N27 | H44 | 48.1° | 120.1° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H11 | C01 | C02 | H14 | 64.2° | 173.1° |
| H12 | C01 | C02 | H14 | 175.7° | 53.0° |
| H13 | C01 | C02 | H14 | 55.8° | 67.0° |
| H14 | C02 | C03 | H15 | 64.4° | 174.6° |
| H14 | C02 | C03 | H16 | 55.6° | 54.6° |
| H14 | C02 | C03 | H17 | 175.6° | 65.4° |
| H14 | C02 | C04 | H18 | 178.4° | 162.6° |
| H15 | C03 | H16 | H17 | 120.0° | 120.0° |
| H21 | C08 | C09 | H22 | 0.8° | 0.0° |
| H24 | C18 | C19 | H26 | 168.5° | 59.3° |
| H24 | C18 | C19 | H27 | 49.8° | 179.2° |
| H25 | C18 | C19 | H26 | 49.2° | 60.8° |
| H25 | C18 | C19 | H27 | 69.5° | 59.2° |
| H28 | C30 | C31 | H29 | 0.3° | 0.1° |
| H29 | C31 | C32 | H30 | 0.2° | 0.1° |
| H30 | C32 | C33 | H31 | 0.0° | 0.0° |
| H31 | C33 | C34 | H32 | 0.2° | 0.3° |
| H36 | C40 | C41 | H38 | 134.4° | 24.3° |
| H36 | C40 | C41 | H39 | 7.6° | 106.3° |
| H37 | C40 | C41 | H38 | 7.5° | 155.5° |
| H37 | C40 | C41 | H39 | 119.4° | 24.8° |
| H38 | C41 | C42 | H40 | 7.4° | 155.4° |
| H38 | C41 | C42 | H41 | 134.5° | 24.4° |
| H39 | C41 | C42 | H40 | 119.4° | 24.6° |
| H39 | C41 | C42 | H41 | 7.6° | 106.4° |
