U8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | S03 | sing | 1.81Å | 1.82Å | |
| O04 | S03 | doub | 1.42Å | 1.46Å | |
| S03 | O40 | doub | 1.42Å | 1.46Å | |
| S03 | N05 | sing | 1.66Å | 1.71Å | |
| N05 | C06 | sing | 1.48Å | 1.47Å | |
| N05 | C08 | sing | 1.48Å | 1.49Å | |
| C06 | C07 | sing | 1.54Å | 1.48Å | |
| C25 | C22 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.54Å | 1.47Å | |
| C07 | C37 | sing | 1.53Å | 1.53Å | |
| C07 | N09 | sing | 1.47Å | 1.44Å | |
| N36 | N09 | sing | 1.40Å | 1.38Å | Aromatic |
| N36 | C35 | doub | 1.31Å | 1.34Å | Aromatic |
| C37 | C38 | sing | 1.47Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O21 | sing | 1.45Å | 1.40Å | |
| N09 | C10 | sing | 1.35Å | 1.31Å | Aromatic |
| O21 | C20 | sing | 1.35Å | 1.41Å | |
| C35 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C38 | N39 | trip | 1.14Å | 1.13Å | |
| C10 | C11 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.54Å | |
| C20 | O26 | doub | 1.21Å | 1.18Å | |
| C20 | C19 | sing | 1.47Å | 1.54Å | |
| C27 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C28 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N13 | doub | 1.33Å | 1.33Å | Aromatic |
| C12 | C31 | sing | 1.41Å | 1.42Å | Aromatic |
| N13 | C14 | sing | 1.33Å | 1.33Å | Aromatic |
| C32 | C31 | sing | 1.46Å | 1.41Å | Aromatic |
| C32 | C33 | doub | 1.34Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.41Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.39Å | 1.48Å | |
| C14 | N15 | sing | 1.39Å | 1.47Å | |
| C14 | N29 | doub | 1.32Å | 1.32Å | Aromatic |
| C33 | N34 | sing | 1.37Å | 1.33Å | Aromatic |
| C30 | N29 | sing | 1.33Å | 1.36Å | Aromatic |
| C30 | N34 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| N15 | H29 | sing | 0.97Å | 1.00Å | |
| N34 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | S03 | 109.7° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C01 | C02 | H5 | 109.4° | 109.4° |
| C01 | C02 | H6 | 109.4° | 109.5° |
| C02 | S03 | O04 | 111.3° | 110.5° |
| C02 | S03 | O40 | 111.2° | 110.6° |
| C02 | S03 | N05 | 110.3° | 104.4° |
| S03 | C02 | H5 | 109.4° | 109.5° |
| S03 | C02 | H6 | 109.4° | 109.5° |
| O04 | S03 | O40 | 101.2° | 121.0° |
| O04 | S03 | N05 | 111.3° | 104.3° |
| O40 | S03 | N05 | 111.3° | 104.3° |
| S03 | N05 | C06 | 135.1° | 134.5° |
| S03 | N05 | C08 | 135.1° | 134.5° |
| C06 | N05 | C08 | 89.4° | 91.0° |
| N05 | C06 | C07 | 90.2° | 86.1° |
| N05 | C06 | H7 | 114.1° | 113.8° |
| N05 | C06 | H8 | 114.1° | 113.9° |
| N05 | C08 | C07 | 90.2° | 86.1° |
| N05 | C08 | H9 | 114.1° | 113.7° |
| N05 | C08 | H10 | 114.0° | 113.9° |
| C06 | C07 | C08 | 90.1° | 86.3° |
| C06 | C07 | C37 | 112.6° | 113.7° |
| C06 | C07 | N09 | 112.6° | 113.8° |
| C07 | C06 | H7 | 114.1° | 113.8° |
| C07 | C06 | H8 | 114.0° | 113.8° |
| C25 | C22 | C24 | 109.4° | 109.4° |
| C25 | C22 | C23 | 109.5° | 109.5° |
| C25 | C22 | O21 | 109.5° | 109.5° |
| C22 | C25 | H19 | 109.5° | 109.5° |
| C22 | C25 | H20 | 109.4° | 109.4° |
| C22 | C25 | H21 | 109.5° | 109.5° |
| C08 | C07 | C37 | 112.6° | 113.7° |
| C08 | C07 | N09 | 112.7° | 113.8° |
| C07 | C08 | H9 | 114.0° | 113.8° |
| C07 | C08 | H10 | 114.0° | 113.8° |
| C37 | C07 | N09 | 113.9° | 113.0° |
| C07 | C37 | C38 | 112.3° | 109.4° |
| C07 | C37 | H27 | 108.7° | 109.5° |
| C07 | C37 | H28 | 108.7° | 109.4° |
| C07 | N09 | N36 | 124.9° | 125.8° |
| C07 | N09 | C10 | 124.9° | 125.9° |
| N09 | N36 | C35 | 107.4° | 108.6° |
| N36 | N09 | C10 | 110.2° | 108.3° |
| N36 | C35 | C11 | 107.5° | 108.1° |
| N36 | C35 | H26 | 126.2° | 125.9° |
| C37 | C38 | N39 | 179.9° | 179.9° |
| C38 | C37 | H27 | 108.8° | 109.5° |
| C38 | C37 | H28 | 108.8° | 109.5° |
| C24 | C22 | C23 | 109.5° | 109.5° |
| C24 | C22 | O21 | 109.5° | 109.5° |
| C22 | C24 | H16 | 109.5° | 109.5° |
| C22 | C24 | H17 | 109.5° | 109.5° |
| C22 | C24 | H18 | 109.4° | 109.4° |
| C23 | C22 | O21 | 109.5° | 109.5° |
| C22 | C23 | H13 | 109.5° | 109.5° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C22 | C23 | H15 | 109.5° | 109.5° |
| C22 | O21 | C20 | 113.9° | 117.0° |
| N09 | C10 | C11 | 107.4° | 107.6° |
| N09 | C10 | H1 | 126.3° | 126.2° |
| O21 | C20 | O26 | 120.0° | 120.0° |
| O21 | C20 | C19 | 120.0° | 120.0° |
| C35 | C11 | C10 | 107.5° | 107.4° |
| C35 | C11 | C12 | 126.3° | 126.3° |
| C11 | C35 | H26 | 126.3° | 126.0° |
| C10 | C11 | C12 | 126.2° | 126.3° |
| C11 | C10 | H1 | 126.3° | 126.2° |
| C11 | C12 | N13 | 120.4° | 120.8° |
| C11 | C12 | C31 | 120.4° | 120.8° |
| O26 | C20 | C19 | 120.0° | 120.0° |
| C20 | C19 | C27 | 121.1° | 120.1° |
| C20 | C19 | C18 | 119.4° | 120.1° |
| C19 | C27 | C28 | 120.5° | 119.9° |
| C27 | C19 | C18 | 119.5° | 119.9° |
| C19 | C27 | H22 | 119.7° | 120.0° |
| C27 | C28 | C16 | 119.8° | 120.1° |
| C28 | C27 | H22 | 119.7° | 120.1° |
| C27 | C28 | H23 | 120.1° | 119.9° |
| C19 | C18 | C17 | 120.0° | 119.9° |
| C19 | C18 | H12 | 120.0° | 120.0° |
| C28 | C16 | C17 | 119.5° | 120.1° |
| C28 | C16 | N15 | 122.8° | 119.9° |
| C16 | C28 | H23 | 120.1° | 119.9° |
| N13 | C12 | C31 | 119.2° | 118.4° |
| C12 | N13 | C14 | 121.0° | 121.0° |
| C12 | C31 | C32 | 136.1° | 135.0° |
| C12 | C31 | C30 | 118.0° | 118.7° |
| N13 | C14 | N15 | 119.3° | 118.7° |
| N13 | C14 | N29 | 121.5° | 122.5° |
| C31 | C32 | C33 | 107.8° | 106.9° |
| C32 | C31 | C30 | 105.9° | 106.2° |
| C31 | C32 | H24 | 126.1° | 126.6° |
| C32 | C33 | N34 | 107.7° | 109.8° |
| C33 | C32 | H24 | 126.1° | 126.5° |
| C32 | C33 | H25 | 126.2° | 125.1° |
| C31 | C30 | N29 | 119.3° | 118.7° |
| C31 | C30 | N34 | 108.3° | 107.1° |
| C18 | C17 | C16 | 120.8° | 120.1° |
| C18 | C17 | H11 | 119.6° | 120.0° |
| C17 | C18 | H12 | 120.0° | 120.0° |
| C17 | C16 | N15 | 117.8° | 119.9° |
| C16 | C17 | H11 | 119.6° | 120.0° |
| C16 | N15 | C14 | 126.3° | 120.0° |
| C16 | N15 | H29 | 116.8° | 119.9° |
| N15 | C14 | N29 | 119.2° | 118.7° |
| C14 | N15 | H29 | 116.8° | 120.1° |
| C14 | N29 | C30 | 120.9° | 120.7° |
| C33 | N34 | C30 | 110.3° | 110.0° |
| N34 | C33 | H25 | 126.2° | 125.1° |
| C33 | N34 | H30 | 124.9° | 125.0° |
| N29 | C30 | N34 | 132.4° | 134.2° |
| C30 | N34 | H30 | 124.8° | 125.0° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H5 | C02 | H6 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.5° | 113.0° |
| H9 | C08 | H10 | 109.5° | 112.9° |
| H13 | C23 | H14 | 109.4° | 109.4° |
| H13 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H16 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.4° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | S03 | H5 | 120.1° | 119.9° |
| C01 | C02 | S03 | H6 | 120.0° | 120.0° |
| C01 | C02 | S03 | O04 | 147.6° | 68.4° |
| C01 | C02 | S03 | O40 | 35.6° | 68.3° |
| C01 | C02 | S03 | N05 | 88.4° | 180.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | H5 | H6 | 119.9° | 120.0° |
| C02 | S03 | O04 | O40 | 118.2° | 131.6° |
| C02 | S03 | O04 | N05 | 123.4° | 111.7° |
| C02 | S03 | O40 | N05 | 123.4° | 111.7° |
| C02 | S03 | N05 | C06 | 60.7° | 90.0° |
| C02 | S03 | N05 | C08 | 129.2° | 90.0° |
| S03 | C02 | C01 | H2 | 180.0° | 60.0° |
| S03 | C02 | C01 | H3 | 60.0° | 60.0° |
| S03 | C02 | C01 | H4 | 60.0° | 180.0° |
| S03 | C02 | H5 | H6 | 119.9° | 120.1° |
| O04 | S03 | O40 | N05 | 118.3° | 116.7° |
| O04 | S03 | N05 | C06 | 63.3° | 26.1° |
| O04 | S03 | N05 | C08 | 106.8° | 153.9° |
| O04 | S03 | C02 | H5 | 92.3° | 171.6° |
| O04 | S03 | C02 | H6 | 27.6° | 51.6° |
| O40 | S03 | N05 | C06 | 175.3° | 153.9° |
| O40 | S03 | N05 | C08 | 5.3° | 26.1° |
| O40 | S03 | C02 | H5 | 155.7° | 51.6° |
| O40 | S03 | C02 | H6 | 84.4° | 171.6° |
| S03 | N05 | C06 | C08 | 173.0° | 180.0° |
| S03 | N05 | C06 | C07 | 170.6° | 155.4° |
| S03 | N05 | C08 | C07 | 170.6° | 155.4° |
| N05 | S03 | C02 | H5 | 31.7° | 60.0° |
| N05 | S03 | C02 | H6 | 151.6° | 60.0° |
| S03 | N05 | C06 | H7 | 72.8° | 41.1° |
| S03 | N05 | C06 | H8 | 54.0° | 90.4° |
| S03 | N05 | C08 | H9 | 54.0° | 90.3° |
| S03 | N05 | C08 | H10 | 72.8° | 41.0° |
| N05 | C06 | C07 | H7 | 116.6° | 114.3° |
| N05 | C06 | C07 | H8 | 116.6° | 114.4° |
| C06 | N05 | C08 | C07 | 2.4° | 24.7° |
| N05 | C06 | C07 | C37 | 117.1° | 137.9° |
| N05 | C06 | C07 | N09 | 112.3° | 90.8° |
| N05 | C06 | H7 | H8 | 129.2° | 131.9° |
| C06 | N05 | C08 | H9 | 119.0° | 89.7° |
| C06 | N05 | C08 | H10 | 114.2° | 139.0° |
| N05 | C08 | C07 | H9 | 116.6° | 114.3° |
| N05 | C08 | C07 | H10 | 116.6° | 114.4° |
| N05 | C08 | C07 | C37 | 117.1° | 137.9° |
| N05 | C08 | C07 | N09 | 112.3° | 90.8° |
| C08 | N05 | C06 | H7 | 114.2° | 138.9° |
| C08 | N05 | C06 | H8 | 119.0° | 89.6° |
| N05 | C08 | H9 | H10 | 129.2° | 131.8° |
| C06 | C07 | C08 | C37 | 114.7° | 114.3° |
| C06 | C07 | C08 | N09 | 114.7° | 114.4° |
| C06 | C07 | C37 | N09 | 129.9° | 131.6° |
| C06 | C07 | N09 | N36 | 14.7° | 14.5° |
| C06 | C07 | C37 | C38 | 168.6° | 180.0° |
| C06 | C07 | N09 | C10 | 165.2° | 165.0° |
| C07 | C06 | H7 | H8 | 129.1° | 131.7° |
| C06 | C07 | C08 | H9 | 119.0° | 90.7° |
| C06 | C07 | C08 | H10 | 114.2° | 138.0° |
| C06 | C07 | C37 | H27 | 48.2° | 60.0° |
| C06 | C07 | C37 | H28 | 70.9° | 60.0° |
| C25 | C22 | C24 | C23 | 120.0° | 120.0° |
| C25 | C22 | C24 | O21 | 120.0° | 120.0° |
| C25 | C22 | C23 | O21 | 120.0° | 120.0° |
| C25 | C22 | O21 | C20 | 173.7° | 60.0° |
| C25 | C22 | C23 | H13 | 180.0° | 180.0° |
| C25 | C22 | C23 | H14 | 60.0° | 60.0° |
| C25 | C22 | C23 | H15 | 60.0° | 60.0° |
| C25 | C22 | C24 | H16 | 180.0° | 60.0° |
| C25 | C22 | C24 | H17 | 60.0° | 60.1° |
| C25 | C22 | C24 | H18 | 60.0° | 180.0° |
| C22 | C25 | H19 | H20 | 120.0° | 120.0° |
| C22 | C25 | H19 | H21 | 120.0° | 120.0° |
| C22 | C25 | H20 | H21 | 120.0° | 120.0° |
| C08 | C07 | C37 | N09 | 130.0° | 131.7° |
| C08 | C07 | N09 | N36 | 114.9° | 111.3° |
| C08 | C07 | C37 | C38 | 68.5° | 83.4° |
| C08 | C07 | N09 | C10 | 65.1° | 68.3° |
| C08 | C07 | C06 | H7 | 114.2° | 137.9° |
| C08 | C07 | C06 | H8 | 119.0° | 90.8° |
| C07 | C08 | H9 | H10 | 129.1° | 131.7° |
| C08 | C07 | C37 | H27 | 52.0° | 36.7° |
| C08 | C07 | C37 | H28 | 171.1° | 156.7° |
| C37 | C07 | N09 | N36 | 115.1° | 117.1° |
| C07 | C37 | C38 | H27 | 120.4° | 120.0° |
| C07 | C37 | C38 | H28 | 120.4° | 119.9° |
| C37 | C07 | N09 | C10 | 64.9° | 63.4° |
| C07 | C37 | C38 | N39 | 73.0° | 129.3° |
| C37 | C07 | C06 | H7 | 0.5° | 107.8° |
| C37 | C07 | C06 | H8 | 126.2° | 23.5° |
| C37 | C07 | C08 | H9 | 126.3° | 23.7° |
| C37 | C07 | C08 | H10 | 0.5° | 107.6° |
| C07 | C37 | H27 | H28 | 118.7° | 120.0° |
| C07 | N09 | N36 | C10 | 180.0° | 179.6° |
| C07 | N09 | N36 | C35 | 180.0° | 180.0° |
| N09 | C07 | C37 | C38 | 61.5° | 48.4° |
| C07 | N09 | C10 | C11 | 180.0° | 180.0° |
| C07 | N09 | C10 | H1 | 0.0° | 0.3° |
| N09 | C07 | C06 | H7 | 131.1° | 23.5° |
| N09 | C07 | C06 | H8 | 4.3° | 154.8° |
| N09 | C07 | C08 | H9 | 4.3° | 155.0° |
| N09 | C07 | C08 | H10 | 131.1° | 23.7° |
| N09 | C07 | C37 | H27 | 178.1° | 168.4° |
| N09 | C07 | C37 | H28 | 58.9° | 71.6° |
| N09 | N36 | C35 | C11 | 0.0° | 0.3° |
| N36 | N09 | C10 | C11 | 0.0° | 0.4° |
| N36 | N09 | C10 | H1 | 180.0° | 179.9° |
| N09 | N36 | C35 | H26 | 180.0° | 179.8° |
| C35 | N36 | N09 | C10 | 0.0° | 0.4° |
| N36 | C35 | C11 | H26 | 180.0° | 179.9° |
| N36 | C35 | C11 | C10 | 0.0° | 0.0° |
| N36 | C35 | C11 | C12 | 180.0° | 180.0° |
| C38 | C37 | H27 | H28 | 118.7° | 120.0° |
| C24 | C22 | C23 | O21 | 120.0° | 120.1° |
| C24 | C22 | O21 | C20 | 66.3° | 59.9° |
| C24 | C22 | C23 | H13 | 60.0° | 60.1° |
| C24 | C22 | C23 | H14 | 180.0° | 180.0° |
| C24 | C22 | C23 | H15 | 60.0° | 60.0° |
| C22 | C24 | H16 | H17 | 120.0° | 120.1° |
| C22 | C24 | H16 | H18 | 120.0° | 119.9° |
| C22 | C24 | H17 | H18 | 120.0° | 119.9° |
| C24 | C22 | C25 | H19 | 180.0° | 60.0° |
| C24 | C22 | C25 | H20 | 60.0° | 180.0° |
| C24 | C22 | C25 | H21 | 60.0° | 60.1° |
| C23 | C22 | O21 | C20 | 53.7° | 180.0° |
| C22 | C23 | H13 | H14 | 120.0° | 120.0° |
| C22 | C23 | H13 | H15 | 120.0° | 120.1° |
| C22 | C23 | H14 | H15 | 120.0° | 120.0° |
| C23 | C22 | C24 | H16 | 60.0° | 59.9° |
| C23 | C22 | C24 | H17 | 60.0° | 180.0° |
| C23 | C22 | C24 | H18 | 180.0° | 60.0° |
| C23 | C22 | C25 | H19 | 60.0° | 60.0° |
| C23 | C22 | C25 | H20 | 180.0° | 60.0° |
| C23 | C22 | C25 | H21 | 60.0° | 180.0° |
| C22 | O21 | C20 | O26 | 76.7° | 0.1° |
| C22 | O21 | C20 | C19 | 103.3° | 180.0° |
| O21 | C22 | C23 | H13 | 60.0° | 60.0° |
| O21 | C22 | C23 | H14 | 60.0° | 60.0° |
| O21 | C22 | C23 | H15 | 180.0° | 180.0° |
| O21 | C22 | C24 | H16 | 60.1° | 180.0° |
| O21 | C22 | C24 | H17 | 179.9° | 59.9° |
| O21 | C22 | C24 | H18 | 60.0° | 60.0° |
| O21 | C22 | C25 | H19 | 60.0° | 180.0° |
| O21 | C22 | C25 | H20 | 60.0° | 60.0° |
| O21 | C22 | C25 | H21 | 179.9° | 60.0° |
| N09 | C10 | C11 | C35 | 0.0° | 0.2° |
| N09 | C10 | C11 | H1 | 180.0° | 179.7° |
| N09 | C10 | C11 | C12 | 180.0° | 179.8° |
| O21 | C20 | O26 | C19 | 180.0° | 179.9° |
| O21 | C20 | C19 | C27 | 18.3° | 0.1° |
| O21 | C20 | C19 | C18 | 161.7° | 180.0° |
| C35 | C11 | C10 | C12 | 180.0° | 180.0° |
| C35 | C11 | C12 | N13 | 27.8° | 145.0° |
| C35 | C11 | C12 | C31 | 152.2° | 34.7° |
| C35 | C11 | C10 | H1 | 180.0° | 179.9° |
| N39 | C38 | C37 | H27 | 166.6° | 9.3° |
| N39 | C38 | C37 | H28 | 47.5° | 110.8° |
| C10 | C11 | C12 | N13 | 152.2° | 35.0° |
| C10 | C11 | C12 | C31 | 27.8° | 145.3° |
| C10 | C11 | C35 | H26 | 180.0° | 180.0° |
| C11 | C12 | N13 | C31 | 180.0° | 179.7° |
| C11 | C12 | N13 | C14 | 180.0° | 180.0° |
| C11 | C12 | C31 | C32 | 0.0° | 0.1° |
| C11 | C12 | C31 | C30 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 0.0° | 0.0° |
| C12 | C11 | C35 | H26 | 0.0° | 0.1° |
| O26 | C20 | C19 | C27 | 161.7° | 180.0° |
| O26 | C20 | C19 | C18 | 18.2° | 0.1° |
| C20 | C19 | C27 | C18 | 179.9° | 179.9° |
| C20 | C19 | C27 | C28 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 180.0° | 180.0° |
| C20 | C19 | C18 | H12 | 0.0° | 0.1° |
| C20 | C19 | C27 | H22 | 0.0° | 0.1° |
| C19 | C27 | C28 | H22 | 180.0° | 179.8° |
| C19 | C27 | C28 | C16 | 0.0° | 0.4° |
| C27 | C19 | C18 | C17 | 0.0° | 0.1° |
| C27 | C19 | C18 | H12 | 180.0° | 180.0° |
| C19 | C27 | C28 | H23 | 180.0° | 180.0° |
| C28 | C27 | C19 | C18 | 0.0° | 0.1° |
| C27 | C28 | C16 | H23 | 180.0° | 179.5° |
| C27 | C28 | C16 | C17 | 0.0° | 0.5° |
| C27 | C28 | C16 | N15 | 180.0° | 179.8° |
| C19 | C18 | C17 | H12 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.0° | 0.1° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C18 | C19 | C27 | H22 | 180.0° | 180.0° |
| C28 | C16 | C17 | C18 | 0.0° | 0.2° |
| C28 | C16 | C17 | N15 | 180.0° | 179.7° |
| C28 | C16 | N15 | C14 | 0.9° | 34.3° |
| C28 | C16 | C17 | H11 | 180.0° | 179.7° |
| C16 | C28 | C27 | H22 | 180.0° | 179.7° |
| C28 | C16 | N15 | H29 | 179.1° | 145.7° |
| N13 | C12 | C31 | C32 | 180.0° | 179.7° |
| N13 | C12 | C31 | C30 | 0.0° | 0.3° |
| C12 | N13 | C14 | N15 | 180.0° | 179.9° |
| C12 | N13 | C14 | N29 | 0.0° | 0.0° |
| C31 | C12 | N13 | C14 | 0.0° | 0.3° |
| C12 | C31 | C32 | C30 | 180.0° | 179.9° |
| C12 | C31 | C32 | C33 | 180.0° | 179.9° |
| C12 | C31 | C30 | N29 | 0.0° | 0.1° |
| C12 | C31 | C30 | N34 | 180.0° | 180.0° |
| C12 | C31 | C32 | H24 | 0.0° | 0.1° |
| N13 | C14 | N15 | C16 | 9.0° | 174.4° |
| N13 | C14 | N15 | N29 | 180.0° | 180.0° |
| N13 | C14 | N29 | C30 | 0.0° | 0.3° |
| N13 | C14 | N15 | H29 | 171.0° | 5.6° |
| C31 | C32 | C33 | H24 | 180.0° | 180.0° |
| C31 | C32 | C33 | N34 | 0.0° | 0.0° |
| C32 | C31 | C30 | N29 | 180.0° | 180.0° |
| C32 | C31 | C30 | N34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H25 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 0.0° | 0.0° |
| C32 | C33 | N34 | H25 | 180.0° | 180.0° |
| C32 | C33 | N34 | C30 | 0.0° | 0.0° |
| C32 | C33 | N34 | H30 | 180.0° | 179.9° |
| C31 | C30 | N29 | C14 | 0.0° | 0.2° |
| C31 | C30 | N34 | C33 | 0.0° | 0.0° |
| C31 | C30 | N29 | N34 | 179.9° | 179.9° |
| C30 | C31 | C32 | H24 | 180.0° | 180.0° |
| C31 | C30 | N34 | H30 | 180.0° | 179.9° |
| C18 | C17 | C16 | H11 | 180.0° | 179.9° |
| C18 | C17 | C16 | N15 | 180.0° | 180.0° |
| C17 | C16 | N15 | C14 | 179.2° | 145.9° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| C17 | C16 | C28 | H23 | 180.0° | 180.0° |
| C17 | C16 | N15 | H29 | 0.8° | 34.1° |
| C16 | N15 | C14 | H29 | 180.0° | 180.0° |
| C16 | N15 | C14 | N29 | 171.1° | 5.5° |
| N15 | C16 | C17 | H11 | 0.0° | 0.0° |
| N15 | C16 | C28 | H23 | 0.0° | 0.3° |
| N15 | C14 | N29 | C30 | 180.0° | 179.8° |
| C14 | N29 | C30 | N34 | 180.0° | 179.7° |
| N29 | C14 | N15 | H29 | 8.9° | 174.5° |
| C33 | N34 | C30 | N29 | 180.0° | 180.0° |
| C33 | N34 | C30 | H30 | 180.0° | 179.9° |
| N34 | C33 | C32 | H24 | 180.0° | 180.0° |
| N29 | C30 | N34 | H30 | 0.0° | 0.0° |
| C30 | N34 | C33 | H25 | 179.9° | 180.0° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | C02 | H5 | 60.0° | 60.0° |
| H2 | C01 | C02 | H6 | 60.0° | 180.0° |
| H3 | C01 | C02 | H5 | 60.0° | 180.0° |
| H3 | C01 | C02 | H6 | 180.0° | 60.0° |
| H4 | C01 | C02 | H5 | 179.9° | 60.1° |
| H4 | C01 | C02 | H6 | 60.0° | 59.9° |
| H11 | C17 | C18 | H12 | 0.0° | 0.1° |
| H13 | C23 | H14 | H15 | 120.0° | 120.0° |
| H16 | C24 | H17 | H18 | 120.0° | 120.0° |
| H19 | C25 | H20 | H21 | 120.0° | 120.0° |
| H22 | C27 | C28 | H23 | 0.0° | 0.2° |
| H24 | C32 | C33 | H25 | 0.1° | 0.0° |
| H25 | C33 | N34 | H30 | 0.1° | 0.0° |
