A1EPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | N07 | sing | 1.47Å | 1.52Å | |
| C06 | C04 | sing | 1.53Å | 1.56Å | |
| C31 | N07 | sing | 1.47Å | 1.53Å | |
| C31 | C02 | sing | 1.53Å | 1.56Å | |
| N07 | S08 | sing | 1.66Å | 1.71Å | |
| C03 | C04 | sing | 1.53Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C21 | C19 | doub | 1.37Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.58Å | |
| C19 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | N17 | sing | 1.35Å | 1.45Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | S25 | sing | 1.76Å | 1.66Å | Aromatic |
| N17 | C16 | doub | 1.29Å | 1.38Å | Aromatic |
| S25 | C16 | sing | 1.76Å | 1.68Å | Aromatic |
| C16 | N15 | sing | 1.38Å | 1.45Å | |
| N15 | N14 | sing | 1.40Å | 1.41Å | |
| N14 | C13 | sing | 1.35Å | 1.45Å | |
| O26 | C13 | doub | 1.22Å | 1.18Å | |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | S08 | sing | 1.76Å | 1.82Å | |
| O30 | S08 | doub | 1.42Å | 1.46Å | |
| S08 | O29 | doub | 1.42Å | 1.46Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| N14 | H25 | sing | 0.97Å | 1.00Å | |
| N15 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N07 | C06 | C04 | 112.6° | 108.8° |
| C06 | N07 | C31 | 107.4° | 118.8° |
| C06 | N07 | S08 | 120.0° | 120.6° |
| N07 | C06 | H11 | 108.7° | 109.6° |
| N07 | C06 | H12 | 108.7° | 109.6° |
| C06 | C04 | C03 | 112.4° | 109.3° |
| C06 | C04 | C05 | 108.7° | 109.5° |
| C06 | C04 | H7 | 108.6° | 109.5° |
| C04 | C06 | H11 | 108.7° | 109.6° |
| C04 | C06 | H12 | 108.7° | 109.6° |
| N07 | C31 | C02 | 112.6° | 108.8° |
| C31 | N07 | S08 | 120.0° | 120.6° |
| N07 | C31 | H23 | 108.7° | 109.6° |
| N07 | C31 | H24 | 108.7° | 109.6° |
| C31 | C02 | C03 | 112.4° | 109.4° |
| C31 | C02 | C01 | 108.7° | 109.5° |
| C31 | C02 | H4 | 108.5° | 109.5° |
| C02 | C31 | H23 | 108.7° | 109.6° |
| C02 | C31 | H24 | 108.7° | 109.5° |
| N07 | S08 | C09 | 112.2° | 107.2° |
| N07 | S08 | O30 | 112.3° | 106.4° |
| N07 | S08 | O29 | 108.0° | 106.3° |
| C04 | C03 | C02 | 112.6° | 109.5° |
| C03 | C04 | C05 | 108.8° | 109.5° |
| C04 | C03 | H5 | 108.7° | 109.4° |
| C04 | C03 | H6 | 108.7° | 109.5° |
| C03 | C04 | H7 | 109.8° | 109.5° |
| C03 | C02 | C01 | 108.8° | 109.5° |
| C03 | C02 | H4 | 110.0° | 109.4° |
| C02 | C03 | H5 | 108.7° | 109.4° |
| C02 | C03 | H6 | 108.7° | 109.5° |
| C05 | C04 | H7 | 108.5° | 109.5° |
| C04 | C05 | H8 | 109.5° | 109.4° |
| C04 | C05 | H9 | 109.5° | 109.4° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C19 | C21 | C22 | 120.0° | 120.6° |
| C21 | C19 | C20 | 120.1° | 119.8° |
| C21 | C19 | C18 | 120.0° | 120.5° |
| C19 | C21 | H18 | 120.0° | 119.7° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C22 | C21 | H18 | 120.0° | 119.7° |
| C21 | C22 | H19 | 120.0° | 120.0° |
| C20 | C19 | C18 | 119.9° | 119.8° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.5° |
| C19 | C20 | H17 | 109.4° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.3° | 109.5° |
| C19 | C18 | C24 | 119.9° | 118.3° |
| C19 | C18 | N17 | 124.2° | 128.8° |
| C22 | C23 | C24 | 120.0° | 120.2° |
| C23 | C22 | H19 | 120.0° | 120.0° |
| C22 | C23 | H20 | 120.0° | 119.9° |
| C24 | C18 | N17 | 115.8° | 112.9° |
| C18 | C24 | C23 | 120.0° | 120.4° |
| C18 | C24 | S25 | 106.4° | 108.4° |
| C18 | N17 | C16 | 110.0° | 117.9° |
| C23 | C24 | S25 | 133.6° | 131.2° |
| C24 | C23 | H20 | 120.0° | 119.9° |
| C24 | S25 | C16 | 98.5° | 90.5° |
| N17 | C16 | S25 | 109.3° | 110.4° |
| N17 | C16 | N15 | 125.3° | 124.8° |
| S25 | C16 | N15 | 125.4° | 124.8° |
| C16 | N15 | N14 | 120.0° | 120.0° |
| C16 | N15 | H26 | 106.8° | 120.0° |
| N15 | N14 | C13 | 120.0° | 120.0° |
| N15 | N14 | H25 | 120.0° | 120.0° |
| N14 | N15 | H26 | 106.8° | 120.0° |
| N14 | C13 | O26 | 120.0° | 120.0° |
| N14 | C13 | C12 | 120.0° | 120.0° |
| C13 | N14 | H25 | 120.0° | 120.0° |
| O26 | C13 | C12 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.0° | 120.2° |
| C13 | C12 | C27 | 120.0° | 120.1° |
| C11 | C12 | C27 | 120.0° | 119.7° |
| C12 | C11 | C10 | 120.0° | 119.9° |
| C12 | C11 | H14 | 120.0° | 120.1° |
| C12 | C27 | C28 | 120.1° | 119.9° |
| C12 | C27 | H21 | 120.0° | 120.1° |
| C11 | C10 | C09 | 120.0° | 120.1° |
| C11 | C10 | H13 | 120.0° | 119.9° |
| C10 | C11 | H14 | 120.0° | 120.1° |
| C27 | C28 | C09 | 120.0° | 120.1° |
| C28 | C27 | H21 | 120.0° | 120.0° |
| C27 | C28 | H22 | 120.0° | 119.9° |
| C10 | C09 | C28 | 119.9° | 120.3° |
| C10 | C09 | S08 | 117.6° | 119.9° |
| C09 | C10 | H13 | 120.0° | 119.9° |
| C28 | C09 | S08 | 122.5° | 119.8° |
| C09 | C28 | H22 | 120.0° | 120.0° |
| C09 | S08 | O30 | 111.3° | 106.5° |
| C09 | S08 | O29 | 111.3° | 106.4° |
| O30 | S08 | O29 | 101.2° | 123.2° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.4° | 109.5° |
| H8 | C05 | H10 | 109.5° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.7° |
| H15 | C20 | H16 | 109.4° | 109.5° |
| H15 | C20 | H17 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C06 | C04 | H11 | 120.4° | 119.8° |
| N07 | C06 | C04 | H12 | 120.5° | 119.8° |
| C06 | N07 | C31 | S08 | 141.9° | 180.0° |
| C06 | N07 | C31 | C02 | 53.7° | 53.5° |
| N07 | C06 | C04 | C03 | 55.0° | 54.6° |
| N07 | C06 | C04 | C05 | 65.5° | 174.6° |
| C06 | N07 | S08 | C09 | 43.3° | 90.0° |
| C06 | N07 | S08 | O30 | 169.5° | 23.6° |
| C06 | N07 | S08 | O29 | 79.8° | 156.5° |
| N07 | C06 | C04 | H7 | 176.7° | 65.3° |
| N07 | C06 | H11 | H12 | 118.6° | 120.3° |
| C06 | N07 | C31 | H23 | 174.2° | 173.4° |
| C06 | N07 | C31 | H24 | 66.8° | 66.2° |
| C04 | C06 | N07 | C31 | 53.7° | 53.6° |
| C04 | C06 | N07 | S08 | 88.2° | 126.4° |
| C06 | C04 | C03 | C05 | 120.4° | 119.9° |
| C06 | C04 | C03 | H7 | 121.0° | 120.0° |
| C06 | C04 | C03 | C02 | 53.7° | 61.3° |
| C06 | C04 | C05 | H7 | 117.9° | 120.1° |
| C06 | C04 | C03 | H5 | 66.8° | 58.6° |
| C06 | C04 | C03 | H6 | 174.2° | 178.6° |
| C06 | C04 | C05 | H8 | 180.0° | 179.8° |
| C06 | C04 | C05 | H9 | 60.0° | 60.2° |
| C06 | C04 | C05 | H10 | 60.0° | 59.9° |
| C04 | C06 | H11 | H12 | 118.6° | 120.4° |
| N07 | C31 | C02 | H23 | 120.5° | 119.8° |
| N07 | C31 | C02 | H24 | 120.5° | 119.8° |
| N07 | C31 | C02 | C03 | 55.1° | 54.6° |
| N07 | C31 | C02 | C01 | 65.4° | 174.5° |
| C31 | N07 | S08 | C09 | 179.5° | 89.9° |
| C31 | N07 | S08 | O30 | 53.3° | 156.5° |
| C31 | N07 | S08 | O29 | 57.4° | 23.6° |
| N07 | C31 | C02 | H4 | 177.0° | 65.3° |
| C31 | N07 | C06 | H11 | 66.7° | 66.2° |
| C31 | N07 | C06 | H12 | 174.2° | 173.4° |
| N07 | C31 | H23 | H24 | 118.5° | 120.4° |
| C02 | C31 | N07 | S08 | 88.3° | 126.4° |
| C31 | C02 | C03 | C04 | 53.6° | 61.3° |
| C31 | C02 | C03 | C01 | 120.5° | 120.0° |
| C31 | C02 | C03 | H4 | 121.1° | 119.9° |
| C31 | C02 | C01 | H4 | 117.7° | 120.1° |
| C31 | C02 | C01 | H1 | 180.0° | 60.0° |
| C31 | C02 | C01 | H2 | 60.0° | 60.0° |
| C31 | C02 | C01 | H3 | 60.0° | 179.9° |
| C31 | C02 | C03 | H5 | 66.8° | 58.6° |
| C31 | C02 | C03 | H6 | 174.1° | 178.6° |
| C02 | C31 | H23 | H24 | 118.6° | 120.3° |
| N07 | S08 | C09 | C10 | 51.9° | 89.9° |
| N07 | S08 | C09 | C28 | 129.4° | 90.3° |
| N07 | S08 | C09 | O30 | 126.7° | 113.6° |
| N07 | S08 | C09 | O29 | 121.2° | 113.4° |
| N07 | S08 | O30 | O29 | 115.0° | 122.9° |
| S08 | N07 | C06 | H11 | 151.3° | 113.9° |
| S08 | N07 | C06 | H12 | 32.2° | 6.6° |
| S08 | N07 | C31 | H23 | 32.2° | 6.6° |
| S08 | N07 | C31 | H24 | 151.2° | 113.9° |
| C04 | C03 | C02 | H5 | 120.5° | 119.9° |
| C04 | C03 | C02 | H6 | 120.5° | 120.1° |
| C03 | C04 | C05 | H7 | 119.4° | 120.0° |
| C04 | C03 | C02 | C01 | 66.8° | 178.7° |
| C04 | C03 | C02 | H4 | 174.7° | 58.6° |
| C04 | C03 | H5 | H6 | 118.6° | 120.0° |
| C03 | C04 | C05 | H8 | 57.3° | 60.0° |
| C03 | C04 | C05 | H9 | 177.3° | 180.0° |
| C03 | C04 | C05 | H10 | 62.7° | 60.0° |
| C03 | C04 | C06 | H11 | 65.5° | 65.1° |
| C03 | C04 | C06 | H12 | 175.4° | 174.4° |
| C02 | C03 | C04 | C05 | 66.7° | 178.7° |
| C03 | C02 | C01 | H4 | 119.6° | 120.0° |
| C03 | C02 | C01 | H1 | 57.2° | 60.0° |
| C03 | C02 | C01 | H2 | 62.7° | 180.0° |
| C03 | C02 | C01 | H3 | 177.2° | 60.0° |
| C02 | C03 | H5 | H6 | 118.5° | 120.0° |
| C02 | C03 | C04 | H7 | 174.7° | 58.7° |
| C03 | C02 | C31 | H23 | 175.5° | 174.4° |
| C03 | C02 | C31 | H24 | 65.4° | 65.2° |
| C05 | C04 | C03 | H5 | 172.8° | 61.4° |
| C05 | C04 | C03 | H6 | 53.7° | 58.7° |
| C04 | C05 | H8 | H9 | 120.0° | 120.0° |
| C04 | C05 | H8 | H10 | 120.0° | 120.0° |
| C04 | C05 | H9 | H10 | 120.0° | 120.0° |
| C05 | C04 | C06 | H11 | 174.1° | 54.8° |
| C05 | C04 | C06 | H12 | 55.0° | 65.7° |
| C19 | C21 | C22 | H18 | 180.0° | 179.9° |
| C21 | C19 | C20 | C18 | 179.2° | 180.0° |
| C19 | C21 | C22 | C23 | 0.2° | 0.1° |
| C21 | C19 | C18 | C24 | 0.1° | 0.0° |
| C21 | C19 | C18 | N17 | 179.1° | 179.8° |
| C21 | C19 | C20 | H15 | 90.4° | 90.0° |
| C21 | C19 | C20 | H16 | 149.6° | 30.1° |
| C21 | C19 | C20 | H17 | 29.6° | 150.1° |
| C19 | C21 | C22 | H19 | 179.8° | 180.0° |
| C22 | C21 | C19 | C20 | 179.3° | 180.0° |
| C22 | C21 | C19 | C18 | 0.1° | 0.1° |
| C21 | C22 | C23 | H19 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | H20 | 179.9° | 180.0° |
| C20 | C19 | C18 | C24 | 179.3° | 180.0° |
| C20 | C19 | C18 | N17 | 0.1° | 0.3° |
| C19 | C20 | H15 | H16 | 120.0° | 120.0° |
| C19 | C20 | H15 | H17 | 120.0° | 120.0° |
| C19 | C20 | H16 | H17 | 120.0° | 120.0° |
| C20 | C19 | C21 | H18 | 0.6° | 0.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 172.7° | 61.4° |
| C01 | C02 | C03 | H6 | 53.6° | 58.6° |
| C01 | C02 | C31 | H23 | 55.0° | 65.6° |
| C01 | C02 | C31 | H24 | 174.1° | 54.8° |
| C19 | C18 | C24 | N17 | 179.2° | 179.8° |
| C19 | C18 | C24 | C23 | 0.1° | 0.0° |
| C19 | C18 | C24 | S25 | 179.3° | 180.0° |
| C19 | C18 | N17 | C16 | 179.3° | 179.7° |
| C18 | C19 | C20 | H15 | 90.4° | 90.0° |
| C18 | C19 | C20 | H16 | 29.6° | 150.0° |
| C18 | C19 | C20 | H17 | 149.6° | 30.0° |
| C18 | C19 | C21 | H18 | 179.8° | 180.0° |
| C22 | C23 | C24 | C18 | 0.1° | 0.0° |
| C22 | C23 | C24 | H20 | 180.0° | 180.0° |
| C22 | C23 | C24 | S25 | 179.1° | 180.0° |
| C23 | C22 | C21 | H18 | 179.8° | 180.0° |
| C18 | C24 | C23 | S25 | 179.0° | 180.0° |
| C24 | C18 | N17 | C16 | 0.1° | 0.0° |
| C18 | C24 | S25 | C16 | 0.0° | 0.3° |
| C18 | C24 | C23 | H20 | 179.9° | 180.0° |
| N17 | C18 | C24 | C23 | 179.2° | 179.8° |
| N17 | C18 | C24 | S25 | 0.0° | 0.2° |
| C18 | N17 | C16 | S25 | 0.1° | 0.3° |
| C18 | N17 | C16 | N15 | 179.8° | 180.0° |
| C23 | C24 | S25 | C16 | 179.1° | 179.7° |
| C24 | C23 | C22 | H19 | 179.9° | 180.0° |
| C24 | S25 | C16 | N17 | 0.1° | 0.3° |
| C24 | S25 | C16 | N15 | 179.8° | 180.0° |
| S25 | C24 | C23 | H20 | 1.0° | 0.0° |
| N17 | C16 | S25 | N15 | 179.7° | 179.7° |
| N17 | C16 | N15 | N14 | 178.0° | 180.0° |
| N17 | C16 | N15 | H26 | 60.5° | 0.1° |
| S25 | C16 | N15 | N14 | 2.4° | 0.4° |
| S25 | C16 | N15 | H26 | 119.1° | 179.7° |
| C16 | N15 | N14 | H26 | 121.5° | 179.9° |
| C16 | N15 | N14 | C13 | 178.1° | 180.0° |
| C16 | N15 | N14 | H25 | 1.9° | 0.1° |
| N15 | N14 | C13 | H25 | 180.0° | 179.9° |
| N15 | N14 | C13 | O26 | 0.9° | 0.1° |
| N15 | N14 | C13 | C12 | 179.2° | 180.0° |
| N14 | C13 | O26 | C12 | 179.9° | 180.0° |
| N14 | C13 | C12 | C11 | 0.0° | 180.0° |
| N14 | C13 | C12 | C27 | 179.4° | 0.1° |
| C13 | N14 | N15 | H26 | 60.4° | 0.1° |
| O26 | C13 | C12 | C11 | 179.9° | 0.0° |
| O26 | C13 | C12 | C27 | 0.5° | 180.0° |
| O26 | C13 | N14 | H25 | 179.1° | 180.0° |
| C13 | C12 | C11 | C27 | 179.4° | 179.9° |
| C13 | C12 | C11 | C10 | 179.4° | 180.0° |
| C13 | C12 | C27 | C28 | 179.4° | 179.7° |
| C13 | C12 | C11 | H14 | 0.7° | 0.0° |
| C13 | C12 | C27 | H21 | 0.6° | 0.1° |
| C12 | C13 | N14 | H25 | 0.8° | 0.1° |
| C12 | C11 | C10 | H14 | 180.0° | 180.0° |
| C11 | C12 | C27 | C28 | 0.0° | 0.2° |
| C12 | C11 | C10 | C09 | 0.0° | 0.0° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C11 | C12 | C27 | H21 | 180.0° | 180.0° |
| C27 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C27 | C28 | H21 | 180.0° | 179.8° |
| C12 | C27 | C28 | C09 | 0.0° | 0.5° |
| C27 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | C27 | C28 | H22 | 180.0° | 180.0° |
| C11 | C10 | C09 | H13 | 180.0° | 180.0° |
| C11 | C10 | C09 | C28 | 0.1° | 0.3° |
| C11 | C10 | C09 | S08 | 178.8° | 180.0° |
| C27 | C28 | C09 | C10 | 0.1° | 0.5° |
| C27 | C28 | C09 | H22 | 180.0° | 179.5° |
| C27 | C28 | C09 | S08 | 178.7° | 179.8° |
| C10 | C09 | C28 | S08 | 178.6° | 179.7° |
| C10 | C09 | S08 | O30 | 178.7° | 156.5° |
| C10 | C09 | S08 | O29 | 69.3° | 23.5° |
| C09 | C10 | C11 | H14 | 180.0° | 180.0° |
| C10 | C09 | C28 | H22 | 179.9° | 180.0° |
| C28 | C09 | S08 | O30 | 2.7° | 23.3° |
| C28 | C09 | S08 | O29 | 109.3° | 156.2° |
| C28 | C09 | C10 | H13 | 179.9° | 179.7° |
| C09 | C28 | C27 | H21 | 179.9° | 179.7° |
| C09 | S08 | O30 | O29 | 118.3° | 123.0° |
| S08 | C09 | C10 | H13 | 1.2° | 0.0° |
| S08 | C09 | C28 | H22 | 1.3° | 0.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 62.3° | 179.9° |
| H2 | C01 | C02 | H4 | 177.7° | 60.1° |
| H3 | C01 | C02 | H4 | 57.7° | 60.0° |
| H4 | C02 | C03 | H5 | 54.3° | 178.6° |
| H4 | C02 | C03 | H6 | 64.8° | 61.4° |
| H4 | C02 | C31 | H23 | 62.5° | 54.5° |
| H4 | C02 | C31 | H24 | 56.5° | 174.9° |
| H5 | C03 | C04 | H7 | 54.2° | 178.6° |
| H6 | C03 | C04 | H7 | 64.8° | 61.4° |
| H7 | C04 | C05 | H8 | 62.1° | 60.0° |
| H7 | C04 | C05 | H9 | 57.9° | 60.0° |
| H7 | C04 | C05 | H10 | 177.9° | 180.0° |
| H7 | C04 | C06 | H11 | 56.2° | 174.9° |
| H7 | C04 | C06 | H12 | 62.9° | 54.4° |
| H8 | C05 | H9 | H10 | 120.0° | 120.0° |
| H13 | C10 | C11 | H14 | 0.0° | 0.0° |
| H15 | C20 | H16 | H17 | 120.0° | 120.0° |
| H18 | C21 | C22 | H19 | 0.2° | 0.1° |
| H19 | C22 | C23 | H20 | 0.1° | 0.0° |
| H21 | C27 | C28 | H22 | 0.1° | 0.2° |
| H25 | N14 | N15 | H26 | 119.6° | 180.0° |
