UC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.39Å | 1.42Å | Aromatic |
| C41 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| N44 | C43 | sing | 1.39Å | 1.48Å | |
| N44 | C02 | sing | 1.35Å | 1.44Å | |
| C43 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C35 | N36 | sing | 1.40Å | 1.44Å | |
| C35 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| N36 | C37 | sing | 1.35Å | 1.44Å | |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| O40 | C37 | doub | 1.21Å | 1.18Å | |
| C33 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | N03 | sing | 1.39Å | 1.48Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.47Å | 1.47Å | |
| C05 | C04 | sing | 1.53Å | 1.45Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C04 | C32 | sing | 1.53Å | 1.46Å | |
| C06 | N07 | sing | 1.47Å | 1.45Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| N07 | C31 | sing | 1.47Å | 1.44Å | |
| N07 | C08 | sing | 1.47Å | 1.26Å | |
| C08 | C09 | sing | 1.51Å | 1.58Å | |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.54Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N14 | doub | 1.33Å | 1.32Å | Aromatic |
| C13 | C22 | sing | 1.41Å | 1.40Å | Aromatic |
| N14 | C15 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.48Å | 1.51Å | |
| C23 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.53Å | |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | N18 | sing | 1.35Å | 1.43Å | |
| C17 | O20 | doub | 1.22Å | 1.18Å | |
| N18 | C19 | sing | 1.46Å | 1.47Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| N18 | H17 | sing | 0.97Å | 1.00Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.08Å | 1.08Å | |
| C42 | H34 | sing | 1.08Å | 1.08Å | |
| N36 | H36 | sing | 0.97Å | 1.00Å | |
| N44 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C42 | C43 | 119.9° | 119.9° |
| C42 | C41 | C35 | 119.1° | 120.2° |
| C42 | C41 | H33 | 120.4° | 119.9° |
| C41 | C42 | H34 | 120.1° | 120.1° |
| C42 | C43 | N44 | 131.9° | 133.3° |
| C42 | C43 | C33 | 120.6° | 120.0° |
| C43 | C42 | H34 | 120.0° | 120.0° |
| C41 | C35 | N36 | 119.8° | 119.9° |
| C41 | C35 | C34 | 121.3° | 120.1° |
| C35 | C41 | H33 | 120.5° | 119.9° |
| C43 | N44 | C02 | 108.1° | 108.3° |
| N44 | C43 | C33 | 107.6° | 106.8° |
| C43 | N44 | H37 | 126.0° | 125.8° |
| N44 | C02 | O01 | 124.8° | 125.1° |
| N44 | C02 | N03 | 108.1° | 109.7° |
| C02 | N44 | H37 | 126.0° | 125.9° |
| C43 | C33 | C34 | 119.6° | 120.0° |
| C43 | C33 | N03 | 108.9° | 106.8° |
| N36 | C35 | C34 | 118.9° | 120.0° |
| C35 | N36 | C37 | 120.8° | 120.0° |
| C35 | N36 | H36 | 119.6° | 120.0° |
| C35 | C34 | C33 | 119.6° | 119.8° |
| C35 | C34 | H27 | 120.2° | 120.1° |
| N36 | C37 | O40 | 121.8° | 120.0° |
| N36 | C37 | C38 | 118.0° | 120.0° |
| C37 | N36 | H36 | 119.6° | 120.0° |
| O01 | C02 | N03 | 127.0° | 125.2° |
| C02 | N03 | C33 | 107.3° | 108.4° |
| C02 | N03 | C04 | 129.3° | 125.8° |
| O40 | C37 | C38 | 120.2° | 120.0° |
| C34 | C33 | N03 | 131.6° | 133.3° |
| C33 | C34 | H27 | 120.2° | 120.1° |
| C33 | N03 | C04 | 123.4° | 125.8° |
| C37 | C38 | C39 | 110.8° | 109.4° |
| C37 | C38 | H28 | 109.1° | 109.5° |
| C37 | C38 | H29 | 109.1° | 109.5° |
| C39 | C38 | H28 | 109.1° | 109.4° |
| C39 | C38 | H29 | 109.1° | 109.5° |
| C38 | C39 | H30 | 109.5° | 109.4° |
| C38 | C39 | H31 | 109.4° | 109.5° |
| C38 | C39 | H32 | 109.5° | 109.4° |
| N03 | C04 | C05 | 116.8° | 109.5° |
| N03 | C04 | C32 | 104.7° | 109.5° |
| N03 | C04 | H18 | 106.5° | 109.5° |
| C04 | C05 | C06 | 113.3° | 109.3° |
| C05 | C04 | C32 | 114.9° | 109.1° |
| C05 | C04 | H18 | 106.7° | 109.5° |
| C04 | C05 | H19 | 108.5° | 109.6° |
| C04 | C05 | H20 | 108.5° | 109.5° |
| C05 | C06 | N07 | 112.1° | 109.6° |
| C06 | C05 | H19 | 108.5° | 109.4° |
| C06 | C05 | H20 | 108.5° | 109.5° |
| C05 | C06 | H21 | 108.8° | 109.5° |
| C05 | C06 | H22 | 108.8° | 109.5° |
| C04 | C32 | C31 | 110.6° | 109.3° |
| C32 | C04 | H18 | 106.6° | 109.6° |
| C04 | C32 | H25 | 109.1° | 109.5° |
| C04 | C32 | H26 | 109.2° | 109.5° |
| C06 | N07 | C31 | 108.3° | 111.2° |
| C06 | N07 | C08 | 109.4° | 111.0° |
| N07 | C06 | H21 | 108.8° | 109.4° |
| N07 | C06 | H22 | 108.8° | 109.4° |
| C32 | C31 | N07 | 111.6° | 109.5° |
| C32 | C31 | H23 | 109.0° | 109.5° |
| C32 | C31 | H24 | 108.9° | 109.4° |
| C31 | C32 | H25 | 109.2° | 109.5° |
| C31 | C32 | H26 | 109.2° | 109.5° |
| C31 | N07 | C08 | 114.3° | 111.0° |
| N07 | C31 | H23 | 108.9° | 109.5° |
| N07 | C31 | H24 | 109.0° | 109.5° |
| N07 | C08 | C09 | 114.4° | 109.5° |
| N07 | C08 | H7 | 108.2° | 109.5° |
| N07 | C08 | H8 | 108.2° | 109.5° |
| C08 | C09 | C10 | 120.9° | 119.8° |
| C08 | C09 | C30 | 119.2° | 119.9° |
| C09 | C08 | H7 | 108.2° | 109.5° |
| C09 | C08 | H8 | 108.2° | 109.5° |
| C09 | C10 | C11 | 122.3° | 120.1° |
| C10 | C09 | C30 | 119.9° | 120.3° |
| C09 | C10 | H1 | 118.9° | 119.9° |
| C10 | C11 | C12 | 117.2° | 119.9° |
| C11 | C10 | H1 | 118.9° | 119.9° |
| C10 | C11 | H9 | 121.4° | 120.1° |
| C09 | C30 | C29 | 119.0° | 120.2° |
| C09 | C30 | H16 | 120.5° | 119.9° |
| C11 | C12 | C29 | 121.5° | 119.7° |
| C11 | C12 | C13 | 120.5° | 120.2° |
| C12 | C11 | H9 | 121.4° | 120.0° |
| C30 | C29 | C12 | 120.1° | 119.8° |
| C30 | C29 | H15 | 120.0° | 120.1° |
| C29 | C30 | H16 | 120.5° | 119.9° |
| C29 | C12 | C13 | 117.9° | 120.1° |
| C12 | C29 | H15 | 120.0° | 120.0° |
| C12 | C13 | N14 | 115.2° | 119.7° |
| C12 | C13 | C22 | 123.4° | 119.6° |
| C27 | C28 | C23 | 117.8° | 119.9° |
| C28 | C27 | C26 | 121.1° | 120.1° |
| C27 | C28 | H6 | 121.1° | 120.1° |
| C28 | C27 | H14 | 119.5° | 119.9° |
| C28 | C23 | C22 | 120.2° | 120.2° |
| C28 | C23 | C24 | 120.5° | 119.7° |
| C23 | C28 | H6 | 121.1° | 120.0° |
| C27 | C26 | C25 | 121.0° | 120.2° |
| C27 | C26 | H5 | 119.5° | 119.9° |
| C26 | C27 | H14 | 119.5° | 119.9° |
| N14 | C13 | C22 | 121.4° | 120.7° |
| C13 | N14 | C15 | 121.9° | 121.9° |
| C13 | C22 | C23 | 124.1° | 120.5° |
| C13 | C22 | C21 | 119.0° | 118.9° |
| N14 | C15 | C16 | 118.5° | 120.9° |
| N14 | C15 | H2 | 120.8° | 119.5° |
| C22 | C23 | C24 | 119.3° | 120.1° |
| C23 | C22 | C21 | 116.9° | 120.5° |
| C23 | C24 | C25 | 121.9° | 119.9° |
| C23 | C24 | H4 | 119.0° | 120.1° |
| C22 | C21 | C16 | 117.2° | 118.3° |
| C22 | C21 | H3 | 121.4° | 120.9° |
| C26 | C25 | C24 | 117.8° | 120.1° |
| C25 | C26 | H5 | 119.5° | 119.9° |
| C26 | C25 | H13 | 121.1° | 119.9° |
| C15 | C16 | C21 | 122.0° | 119.2° |
| C15 | C16 | C17 | 121.5° | 120.4° |
| C16 | C15 | H2 | 120.8° | 119.5° |
| C21 | C16 | C17 | 116.5° | 120.4° |
| C16 | C21 | H3 | 121.4° | 120.9° |
| C16 | C17 | N18 | 121.0° | 120.0° |
| C16 | C17 | O20 | 118.9° | 120.0° |
| C25 | C24 | H4 | 119.0° | 120.0° |
| C24 | C25 | H13 | 121.1° | 119.9° |
| N18 | C17 | O20 | 120.0° | 120.0° |
| C17 | N18 | C19 | 117.4° | 120.0° |
| C17 | N18 | H17 | 121.3° | 120.0° |
| N18 | C19 | H10 | 109.5° | 109.4° |
| N18 | C19 | H11 | 109.5° | 109.4° |
| N18 | C19 | H12 | 109.5° | 109.4° |
| C19 | N18 | H17 | 121.3° | 120.0° |
| H7 | C08 | H8 | 109.5° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H19 | C05 | H20 | 109.5° | 109.5° |
| H21 | C06 | H22 | 109.5° | 109.4° |
| H23 | C31 | H24 | 109.4° | 109.5° |
| H25 | C32 | H26 | 109.5° | 109.6° |
| H28 | C38 | H29 | 109.5° | 109.5° |
| H30 | C39 | H31 | 109.5° | 109.5° |
| H30 | C39 | H32 | 109.5° | 109.5° |
| H31 | C39 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C42 | C43 | H34 | 180.0° | 179.8° |
| C42 | C41 | C35 | H33 | 180.0° | 180.0° |
| C41 | C42 | C43 | N44 | 180.0° | 179.9° |
| C41 | C42 | C43 | C33 | 1.1° | 0.4° |
| C42 | C41 | C35 | N36 | 179.6° | 180.0° |
| C42 | C41 | C35 | C34 | 1.4° | 0.0° |
| C43 | C42 | C41 | C35 | 1.6° | 0.2° |
| C42 | C43 | N44 | C33 | 179.0° | 179.7° |
| C42 | C43 | N44 | C02 | 179.4° | 179.5° |
| C42 | C43 | C33 | C34 | 0.3° | 0.4° |
| C42 | C43 | C33 | N03 | 179.2° | 179.7° |
| C43 | C42 | C41 | H33 | 178.4° | 179.8° |
| C42 | C43 | N44 | H37 | 0.6° | 0.2° |
| C41 | C35 | N36 | C34 | 179.1° | 180.0° |
| C41 | C35 | N36 | C37 | 39.8° | 146.7° |
| C41 | C35 | C34 | C33 | 0.6° | 0.0° |
| C41 | C35 | C34 | H27 | 179.4° | 180.0° |
| C35 | C41 | C42 | H34 | 178.4° | 180.0° |
| C41 | C35 | N36 | H36 | 140.2° | 33.4° |
| C43 | N44 | C02 | H37 | 180.0° | 179.8° |
| C43 | N44 | C02 | O01 | 179.3° | 180.0° |
| C43 | N44 | C02 | N03 | 0.6° | 0.2° |
| N44 | C43 | C33 | C34 | 179.4° | 179.9° |
| N44 | C43 | C33 | N03 | 0.1° | 0.0° |
| N44 | C43 | C42 | H34 | 0.0° | 0.1° |
| C02 | N44 | C43 | C33 | 0.4° | 0.1° |
| N44 | C02 | O01 | N03 | 179.9° | 179.7° |
| N44 | C02 | N03 | C33 | 0.5° | 0.2° |
| N44 | C02 | N03 | C04 | 179.4° | 179.8° |
| C43 | C33 | C34 | C35 | 0.0° | 0.2° |
| C43 | C33 | N03 | C02 | 0.2° | 0.1° |
| C43 | C33 | C34 | N03 | 179.4° | 179.8° |
| C43 | C33 | N03 | C04 | 179.2° | 179.9° |
| C43 | C33 | C34 | H27 | 180.0° | 179.8° |
| C33 | C43 | C42 | H34 | 178.9° | 179.8° |
| C33 | C43 | N44 | H37 | 179.6° | 179.9° |
| C35 | N36 | C37 | H36 | 180.0° | 179.9° |
| C35 | N36 | C37 | O40 | 0.2° | 5.3° |
| N36 | C35 | C34 | C33 | 179.7° | 180.0° |
| C35 | N36 | C37 | C38 | 179.6° | 174.7° |
| N36 | C35 | C34 | H27 | 0.3° | 0.0° |
| N36 | C35 | C41 | H33 | 0.4° | 0.0° |
| C34 | C35 | N36 | C37 | 141.2° | 33.3° |
| C35 | C34 | C33 | H27 | 180.0° | 180.0° |
| C35 | C34 | C33 | N03 | 179.4° | 180.0° |
| C34 | C35 | C41 | H33 | 178.6° | 180.0° |
| C34 | C35 | N36 | H36 | 38.9° | 146.6° |
| N36 | C37 | O40 | C38 | 179.8° | 180.0° |
| N36 | C37 | C38 | C39 | 151.3° | 180.0° |
| N36 | C37 | C38 | H28 | 31.1° | 60.0° |
| N36 | C37 | C38 | H29 | 88.5° | 60.0° |
| O01 | C02 | N03 | C33 | 179.4° | 180.0° |
| O01 | C02 | N03 | C04 | 0.5° | 0.0° |
| O01 | C02 | N44 | H37 | 0.7° | 0.2° |
| C02 | N03 | C33 | C34 | 179.7° | 180.0° |
| C02 | N03 | C33 | C04 | 179.0° | 180.0° |
| C02 | N03 | C04 | C05 | 59.0° | 59.7° |
| C02 | N03 | C04 | C32 | 69.3° | 60.0° |
| C02 | N03 | C04 | H18 | 178.1° | 179.8° |
| N03 | C02 | N44 | H37 | 179.4° | 180.0° |
| O40 | C37 | C38 | C39 | 28.5° | 0.0° |
| O40 | C37 | C38 | H28 | 148.7° | 120.0° |
| O40 | C37 | C38 | H29 | 91.7° | 120.0° |
| O40 | C37 | N36 | H36 | 179.8° | 174.8° |
| C34 | C33 | N03 | C04 | 1.4° | 0.0° |
| C33 | N03 | C04 | C05 | 119.7° | 120.3° |
| C33 | N03 | C04 | C32 | 112.0° | 120.0° |
| C33 | N03 | C04 | H18 | 0.6° | 0.2° |
| N03 | C33 | C34 | H27 | 0.6° | 0.0° |
| C37 | C38 | C39 | H28 | 120.2° | 120.0° |
| C37 | C38 | C39 | H29 | 120.2° | 120.0° |
| C37 | C38 | H28 | H29 | 119.4° | 120.0° |
| C37 | C38 | C39 | H30 | 180.0° | 60.0° |
| C37 | C38 | C39 | H31 | 60.0° | 60.0° |
| C37 | C38 | C39 | H32 | 60.0° | 180.0° |
| C38 | C37 | N36 | H36 | 0.4° | 5.2° |
| C39 | C38 | H28 | H29 | 119.4° | 120.0° |
| C38 | C39 | H30 | H31 | 120.0° | 120.0° |
| C38 | C39 | H30 | H32 | 120.0° | 119.9° |
| C38 | C39 | H31 | H32 | 120.0° | 119.9° |
| N03 | C04 | C05 | C32 | 123.2° | 119.9° |
| N03 | C04 | C05 | H18 | 118.9° | 120.2° |
| N03 | C04 | C05 | C06 | 167.6° | 177.6° |
| N03 | C04 | C32 | H18 | 112.6° | 120.2° |
| N03 | C04 | C32 | C31 | 175.8° | 177.6° |
| N03 | C04 | C05 | H19 | 47.1° | 57.7° |
| N03 | C04 | C05 | H20 | 71.8° | 62.5° |
| N03 | C04 | C32 | H25 | 64.1° | 62.5° |
| N03 | C04 | C32 | H26 | 55.6° | 57.6° |
| C04 | C05 | C06 | H19 | 120.5° | 120.0° |
| C04 | C05 | C06 | H20 | 120.6° | 120.0° |
| C05 | C04 | C32 | H18 | 118.0° | 119.9° |
| C04 | C05 | C06 | N07 | 50.6° | 59.2° |
| C05 | C04 | C32 | C31 | 46.3° | 57.7° |
| C04 | C05 | H19 | H20 | 118.3° | 120.1° |
| C04 | C05 | C06 | H21 | 171.0° | 179.2° |
| C04 | C05 | C06 | H22 | 69.8° | 60.8° |
| C05 | C04 | C32 | H25 | 166.5° | 177.6° |
| C05 | C04 | C32 | H26 | 73.8° | 62.3° |
| C06 | C05 | C04 | C32 | 44.5° | 57.7° |
| C05 | C06 | N07 | H21 | 120.4° | 120.1° |
| C05 | C06 | N07 | H22 | 120.4° | 120.0° |
| C05 | C06 | N07 | C31 | 59.1° | 61.7° |
| C05 | C06 | N07 | C08 | 175.8° | 174.2° |
| C06 | C05 | C04 | H18 | 73.5° | 62.3° |
| C06 | C05 | H19 | H20 | 118.3° | 120.1° |
| C05 | C06 | H21 | H22 | 118.8° | 120.0° |
| C04 | C32 | C31 | H25 | 120.1° | 119.9° |
| C04 | C32 | C31 | H26 | 120.2° | 119.9° |
| C04 | C32 | C31 | N07 | 55.9° | 59.2° |
| C32 | C04 | C05 | H19 | 76.1° | 62.2° |
| C32 | C04 | C05 | H20 | 165.0° | 177.6° |
| C04 | C32 | C31 | H23 | 64.4° | 60.8° |
| C04 | C32 | C31 | H24 | 176.3° | 179.2° |
| C04 | C32 | H25 | H26 | 119.5° | 120.1° |
| C06 | N07 | C31 | C32 | 62.2° | 61.7° |
| C06 | N07 | C31 | C08 | 122.1° | 124.1° |
| C06 | N07 | C08 | C09 | 168.2° | 170.0° |
| C06 | N07 | C08 | H7 | 47.4° | 70.0° |
| C06 | N07 | C08 | H8 | 71.1° | 50.0° |
| N07 | C06 | C05 | H19 | 69.9° | 60.8° |
| N07 | C06 | C05 | H20 | 171.2° | 179.1° |
| N07 | C06 | H21 | H22 | 118.8° | 119.9° |
| C06 | N07 | C31 | H23 | 58.1° | 58.3° |
| C06 | N07 | C31 | H24 | 177.4° | 178.3° |
| C32 | C31 | N07 | H23 | 120.3° | 120.1° |
| C32 | C31 | N07 | H24 | 120.3° | 120.0° |
| C32 | C31 | N07 | C08 | 175.6° | 174.1° |
| C31 | C32 | C04 | H18 | 71.6° | 62.2° |
| C32 | C31 | H23 | H24 | 119.0° | 119.9° |
| C31 | C32 | H25 | H26 | 119.5° | 120.1° |
| C31 | N07 | C08 | C09 | 70.3° | 65.8° |
| C31 | N07 | C08 | H7 | 169.0° | 54.2° |
| C31 | N07 | C08 | H8 | 50.4° | 174.2° |
| C31 | N07 | C06 | H21 | 179.5° | 178.2° |
| C31 | N07 | C06 | H22 | 61.3° | 58.3° |
| N07 | C31 | H23 | H24 | 119.0° | 120.0° |
| N07 | C31 | C32 | H25 | 176.1° | 179.1° |
| N07 | C31 | C32 | H26 | 64.3° | 60.7° |
| N07 | C08 | C09 | H7 | 120.7° | 120.0° |
| N07 | C08 | C09 | H8 | 120.7° | 120.0° |
| N07 | C08 | C09 | C10 | 42.1° | 90.0° |
| N07 | C08 | C09 | C30 | 139.0° | 90.0° |
| N07 | C08 | H7 | H8 | 117.8° | 120.0° |
| C08 | N07 | C06 | H21 | 55.4° | 54.1° |
| C08 | N07 | C06 | H22 | 63.9° | 65.8° |
| C08 | N07 | C31 | H23 | 64.1° | 65.8° |
| C08 | N07 | C31 | H24 | 55.3° | 54.2° |
| C08 | C09 | C10 | C30 | 178.9° | 180.0° |
| C08 | C09 | C10 | C11 | 179.7° | 180.0° |
| C08 | C09 | C30 | C29 | 179.5° | 180.0° |
| C08 | C09 | C10 | H1 | 0.3° | 0.3° |
| C09 | C08 | H7 | H8 | 117.7° | 120.0° |
| C08 | C09 | C30 | H16 | 0.5° | 0.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 2.8° | 0.0° |
| C10 | C09 | C30 | C29 | 0.6° | 0.0° |
| C10 | C09 | C08 | H7 | 78.7° | 150.0° |
| C10 | C09 | C08 | H8 | 162.8° | 30.0° |
| C09 | C10 | C11 | H9 | 177.2° | 180.0° |
| C10 | C09 | C30 | H16 | 179.4° | 180.0° |
| C11 | C10 | C09 | C30 | 1.4° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C29 | 3.5° | 0.0° |
| C10 | C11 | C12 | C13 | 178.5° | 180.0° |
| C09 | C30 | C29 | H16 | 180.0° | 180.0° |
| C09 | C30 | C29 | C12 | 1.3° | 0.0° |
| C30 | C09 | C10 | H1 | 178.6° | 179.7° |
| C30 | C09 | C08 | H7 | 100.3° | 30.0° |
| C30 | C09 | C08 | H8 | 18.3° | 150.0° |
| C09 | C30 | C29 | H15 | 178.7° | 180.0° |
| C11 | C12 | C29 | C30 | 2.8° | 0.0° |
| C11 | C12 | C29 | C13 | 175.1° | 179.9° |
| C11 | C12 | C13 | N14 | 44.4° | 34.9° |
| C11 | C12 | C13 | C22 | 136.0° | 144.7° |
| C12 | C11 | C10 | H1 | 177.2° | 179.7° |
| C11 | C12 | C29 | H15 | 177.2° | 180.0° |
| C30 | C29 | C12 | H15 | 180.0° | 180.0° |
| C30 | C29 | C12 | C13 | 177.9° | 179.9° |
| C29 | C12 | C13 | N14 | 130.8° | 145.0° |
| C29 | C12 | C13 | C22 | 48.8° | 35.4° |
| C29 | C12 | C11 | H9 | 176.5° | 180.0° |
| C12 | C29 | C30 | H16 | 178.7° | 180.0° |
| C12 | C13 | N14 | C22 | 179.6° | 179.6° |
| C12 | C13 | N14 | C15 | 178.4° | 179.7° |
| C12 | C13 | C22 | C23 | 2.1° | 0.4° |
| C12 | C13 | C22 | C21 | 179.0° | 179.7° |
| C13 | C12 | C11 | H9 | 1.5° | 0.1° |
| C13 | C12 | C29 | H15 | 2.1° | 0.1° |
| C27 | C28 | C23 | H6 | 180.0° | 179.3° |
| C28 | C27 | C26 | H14 | 180.0° | 179.2° |
| C27 | C28 | C23 | C22 | 179.9° | 179.5° |
| C27 | C28 | C23 | C24 | 0.5° | 0.5° |
| C28 | C27 | C26 | C25 | 0.2° | 0.5° |
| C28 | C27 | C26 | H5 | 179.8° | 179.4° |
| C23 | C28 | C27 | C26 | 0.9° | 0.8° |
| C28 | C23 | C22 | C13 | 49.4° | 129.9° |
| C28 | C23 | C22 | C24 | 179.6° | 180.0° |
| C28 | C23 | C22 | C21 | 129.5° | 50.0° |
| C28 | C23 | C24 | C25 | 1.0° | 0.0° |
| C28 | C23 | C24 | H4 | 179.0° | 179.7° |
| C23 | C28 | C27 | H14 | 179.1° | 180.0° |
| C27 | C26 | C25 | H5 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 1.6° | 0.0° |
| C26 | C27 | C28 | H6 | 179.2° | 180.0° |
| C27 | C26 | C25 | H13 | 178.4° | 180.0° |
| N14 | C13 | C22 | C23 | 178.3° | 180.0° |
| N14 | C13 | C22 | C21 | 0.6° | 0.1° |
| C13 | N14 | C15 | C16 | 1.4° | 0.1° |
| C13 | N14 | C15 | H2 | 178.6° | 180.0° |
| C22 | C13 | N14 | C15 | 1.2° | 0.1° |
| C13 | C22 | C23 | C21 | 178.9° | 179.9° |
| C13 | C22 | C23 | C24 | 131.0° | 50.1° |
| C13 | C22 | C21 | C16 | 0.3° | 0.1° |
| C13 | C22 | C21 | H3 | 179.7° | 179.9° |
| N14 | C15 | C16 | H2 | 180.0° | 179.9° |
| N14 | C15 | C16 | C21 | 1.1° | 0.0° |
| N14 | C15 | C16 | C17 | 178.6° | 179.9° |
| C23 | C22 | C21 | C16 | 178.7° | 180.0° |
| C22 | C23 | C24 | C25 | 178.6° | 180.0° |
| C23 | C22 | C21 | H3 | 1.3° | 0.0° |
| C22 | C23 | C24 | H4 | 1.4° | 0.3° |
| C22 | C23 | C28 | H6 | 0.0° | 0.2° |
| C24 | C23 | C22 | C21 | 50.1° | 130.0° |
| C23 | C24 | C25 | C26 | 2.0° | 0.2° |
| C23 | C24 | C25 | H4 | 180.0° | 179.7° |
| C24 | C23 | C28 | H6 | 179.5° | 179.8° |
| C23 | C24 | C25 | H13 | 177.9° | 179.8° |
| C22 | C21 | C16 | C15 | 0.6° | 0.0° |
| C22 | C21 | C16 | H3 | 180.0° | 180.0° |
| C22 | C21 | C16 | C17 | 178.1° | 180.0° |
| C26 | C25 | C24 | H13 | 180.0° | 180.0° |
| C26 | C25 | C24 | H4 | 178.0° | 180.0° |
| C25 | C26 | C27 | H14 | 179.8° | 179.7° |
| C15 | C16 | C21 | C17 | 177.6° | 180.0° |
| C15 | C16 | C17 | N18 | 2.3° | 0.1° |
| C15 | C16 | C17 | O20 | 173.6° | 180.0° |
| C15 | C16 | C21 | H3 | 179.4° | 180.0° |
| C21 | C16 | C17 | N18 | 179.9° | 180.0° |
| C21 | C16 | C17 | O20 | 4.0° | 0.1° |
| C21 | C16 | C15 | H2 | 178.9° | 180.0° |
| C16 | C17 | N18 | O20 | 175.9° | 179.9° |
| C16 | C17 | N18 | C19 | 178.0° | 180.0° |
| C17 | C16 | C15 | H2 | 1.4° | 0.0° |
| C17 | C16 | C21 | H3 | 1.9° | 0.1° |
| C16 | C17 | N18 | H17 | 2.0° | 0.1° |
| C24 | C25 | C26 | H5 | 178.4° | 180.0° |
| C17 | N18 | C19 | H17 | 180.0° | 179.9° |
| C17 | N18 | C19 | H10 | 180.0° | 179.9° |
| C17 | N18 | C19 | H11 | 60.0° | 60.0° |
| C17 | N18 | C19 | H12 | 60.0° | 60.0° |
| O20 | C17 | N18 | C19 | 2.1° | 0.1° |
| O20 | C17 | N18 | H17 | 177.9° | 180.0° |
| N18 | C19 | H10 | H11 | 120.0° | 119.9° |
| N18 | C19 | H10 | H12 | 120.0° | 120.0° |
| N18 | C19 | H11 | H12 | 120.0° | 120.0° |
| H1 | C10 | C11 | H9 | 2.8° | 0.3° |
| H4 | C24 | C25 | H13 | 2.0° | 0.0° |
| H5 | C26 | C25 | H13 | 1.6° | 0.1° |
| H5 | C26 | C27 | H14 | 0.2° | 0.2° |
| H6 | C28 | C27 | H14 | 0.8° | 0.8° |
| H10 | C19 | H11 | H12 | 120.0° | 120.1° |
| H10 | C19 | N18 | H17 | 0.0° | 0.0° |
| H11 | C19 | N18 | H17 | 120.0° | 120.0° |
| H12 | C19 | N18 | H17 | 120.0° | 120.0° |
| H15 | C29 | C30 | H16 | 1.2° | 0.0° |
| H18 | C04 | C05 | H19 | 166.0° | 177.8° |
| H18 | C04 | C05 | H20 | 47.1° | 57.7° |
| H18 | C04 | C32 | H25 | 48.5° | 57.7° |
| H18 | C04 | C32 | H26 | 168.2° | 177.8° |
| H19 | C05 | C06 | H21 | 50.5° | 59.2° |
| H19 | C05 | C06 | H22 | 169.7° | 179.2° |
| H20 | C05 | C06 | H21 | 68.4° | 60.8° |
| H20 | C05 | C06 | H22 | 50.8° | 59.1° |
| H23 | C31 | C32 | H25 | 55.8° | 59.1° |
| H23 | C31 | C32 | H26 | 175.4° | 179.3° |
| H24 | C31 | C32 | H25 | 63.6° | 60.9° |
| H24 | C31 | C32 | H26 | 56.1° | 59.3° |
| H28 | C38 | C39 | H30 | 59.8° | 180.0° |
| H28 | C38 | C39 | H31 | 179.8° | 60.0° |
| H28 | C38 | C39 | H32 | 60.2° | 60.0° |
| H29 | C38 | C39 | H30 | 59.8° | 60.0° |
| H29 | C38 | C39 | H31 | 60.2° | NaN° |
| H29 | C38 | C39 | H32 | 179.8° | 60.0° |
| H30 | C39 | H31 | H32 | 120.0° | 120.0° |
| H33 | C41 | C42 | H34 | 1.6° | 0.0° |






