K57
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | H36 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H37 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | H38 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.40Å | 1.45Å | Aromatic |
| C4 | C8 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | O33 | sing | 1.36Å | 1.38Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | N9 | sing | 1.35Å | 1.36Å | |
| C8 | O34 | doub | 1.22Å | 1.23Å | |
| N9 | C10 | sing | 1.47Å | 1.47Å | |
| N9 | H31 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | C19 | sing | 1.51Å | 1.50Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | O25 | sing | 1.43Å | 1.39Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | N14 | sing | 1.35Å | 1.40Å | |
| C13 | O26 | doub | 1.21Å | 1.22Å | |
| N14 | C15 | sing | 1.46Å | 1.48Å | |
| N14 | C18 | sing | 1.48Å | 1.49Å | |
| C15 | C16 | sing | 1.55Å | 1.57Å | |
| C15 | C29 | sing | 1.51Å | 1.57Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | S17 | sing | 1.84Å | 1.79Å | |
| C16 | C27 | sing | 1.53Å | 1.54Å | |
| C16 | C28 | sing | 1.53Å | 1.55Å | |
| S17 | C18 | sing | 1.84Å | 1.81Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| O25 | H21 | sing | 0.97Å | 0.95Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | N30 | sing | 1.35Å | 1.38Å | |
| C29 | O32 | doub | 1.21Å | 1.24Å | |
| N30 | C31 | sing | 1.47Å | 1.49Å | |
| N30 | H10 | sing | 0.97Å | 1.00Å | |
| C31 | C35 | sing | 1.53Å | 1.54Å | |
| C31 | C67 | sing | 1.53Å | 1.55Å | |
| C31 | C71 | sing | 1.53Å | 1.55Å | |
| O33 | H35 | sing | 0.97Å | 0.95Å | |
| C35 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C67 | H1 | sing | 1.09Å | 1.10Å | |
| C67 | H2 | sing | 1.09Å | 1.10Å | |
| C67 | H3 | sing | 1.09Å | 1.10Å | |
| C71 | H4 | sing | 1.09Å | 1.10Å | |
| C71 | H5 | sing | 1.09Å | 1.10Å | |
| C71 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.1° | 120.2° |
| C2 | C1 | H36 | 119.9° | 119.9° |
| C1 | C2 | C3 | 120.0° | 120.2° |
| C1 | C2 | H37 | 120.0° | 119.8° |
| C6 | C1 | H36 | 119.9° | 119.8° |
| C1 | C6 | C5 | 121.1° | 120.0° |
| C1 | C6 | O33 | 118.8° | 120.0° |
| C3 | C2 | H37 | 120.0° | 119.9° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | H38 | 119.4° | 120.0° |
| C4 | C3 | H38 | 119.5° | 120.0° |
| C3 | C4 | C5 | 119.0° | 119.8° |
| C3 | C4 | C8 | 119.5° | 120.1° |
| C5 | C4 | C8 | 121.5° | 120.1° |
| C4 | C5 | C6 | 118.7° | 119.8° |
| C4 | C5 | C7 | 122.5° | 120.1° |
| C4 | C8 | N9 | 116.2° | 120.0° |
| C4 | C8 | O34 | 123.3° | 120.0° |
| C6 | C5 | C7 | 118.8° | 120.2° |
| C5 | C6 | O33 | 120.1° | 119.9° |
| C5 | C7 | H32 | 109.5° | 109.5° |
| C5 | C7 | H33 | 109.5° | 109.4° |
| C5 | C7 | H34 | 109.5° | 109.5° |
| C6 | O33 | H35 | 109.5° | 114.0° |
| H32 | C7 | H33 | 109.5° | 109.5° |
| H32 | C7 | H34 | 109.5° | 109.5° |
| H33 | C7 | H34 | 109.5° | 109.5° |
| N9 | C8 | O34 | 120.5° | 120.0° |
| C8 | N9 | C10 | 121.8° | 120.0° |
| C8 | N9 | H31 | 119.1° | 120.1° |
| C10 | N9 | H31 | 119.1° | 119.9° |
| N9 | C10 | C11 | 115.1° | 109.4° |
| N9 | C10 | C12 | 108.0° | 109.5° |
| N9 | C10 | H23 | 109.3° | 109.5° |
| C11 | C10 | C12 | 116.3° | 109.5° |
| C11 | C10 | H23 | 99.4° | 109.4° |
| C10 | C11 | C19 | 116.2° | 109.5° |
| C10 | C11 | H24 | 107.3° | 109.5° |
| C10 | C11 | H25 | 107.3° | 109.5° |
| C12 | C10 | H23 | 107.9° | 109.5° |
| C10 | C12 | C13 | 120.0° | 109.5° |
| C10 | C12 | O25 | 119.4° | 109.5° |
| C10 | C12 | H22 | 101.3° | 109.4° |
| C19 | C11 | H24 | 107.3° | 109.4° |
| C19 | C11 | H25 | 107.3° | 109.5° |
| C11 | C19 | C20 | 118.0° | 120.0° |
| C11 | C19 | C24 | 122.7° | 120.0° |
| H24 | C11 | H25 | 111.6° | 109.5° |
| C13 | C12 | O25 | 120.5° | 109.5° |
| C13 | C12 | H22 | 79.4° | 109.5° |
| C12 | C13 | N14 | 118.6° | 120.0° |
| C12 | C13 | O26 | 117.6° | 120.0° |
| O25 | C12 | H22 | 91.7° | 109.5° |
| C12 | O25 | H21 | 109.5° | 114.0° |
| N14 | C13 | O26 | 123.0° | 120.0° |
| C13 | N14 | C15 | 118.9° | 122.4° |
| C13 | N14 | C18 | 126.5° | 122.4° |
| C15 | N14 | C18 | 114.3° | 115.2° |
| N14 | C15 | C16 | 107.6° | 113.2° |
| N14 | C15 | C29 | 105.9° | 108.8° |
| N14 | C15 | H11 | 115.1° | 108.7° |
| N14 | C18 | S17 | 107.7° | 102.5° |
| N14 | C18 | H19 | 110.1° | 110.7° |
| N14 | C18 | H20 | 110.1° | 110.8° |
| C16 | C15 | C29 | 115.3° | 108.8° |
| C16 | C15 | H11 | 105.7° | 108.7° |
| C15 | C16 | S17 | 105.3° | 101.4° |
| C15 | C16 | C27 | 112.5° | 111.1° |
| C15 | C16 | C28 | 112.6° | 111.0° |
| C29 | C15 | H11 | 107.5° | 108.6° |
| C15 | C29 | N30 | 113.6° | 120.0° |
| C15 | C29 | O32 | 120.6° | 120.0° |
| S17 | C16 | C27 | 108.2° | 111.0° |
| S17 | C16 | C28 | 107.9° | 111.1° |
| C16 | S17 | C18 | 93.7° | 93.8° |
| C27 | C16 | C28 | 110.0° | 110.9° |
| C16 | C27 | H13 | 109.5° | 109.5° |
| C16 | C27 | H14 | 109.5° | 109.5° |
| C16 | C27 | H15 | 109.4° | 109.5° |
| C16 | C28 | H16 | 109.5° | 109.5° |
| C16 | C28 | H17 | 109.5° | 109.5° |
| C16 | C28 | H18 | 109.5° | 109.4° |
| S17 | C18 | H19 | 110.1° | 110.9° |
| S17 | C18 | H20 | 110.1° | 110.8° |
| H19 | C18 | H20 | 108.8° | 110.8° |
| C20 | C19 | C24 | 119.3° | 120.0° |
| C19 | C20 | C21 | 120.9° | 120.0° |
| C19 | C20 | H30 | 119.5° | 120.0° |
| C19 | C24 | C23 | 120.0° | 120.0° |
| C19 | C24 | H26 | 120.0° | 120.0° |
| C21 | C20 | H30 | 119.6° | 120.0° |
| C20 | C21 | C22 | 119.4° | 119.9° |
| C20 | C21 | H29 | 120.3° | 120.1° |
| C22 | C21 | H29 | 120.3° | 120.0° |
| C21 | C22 | C23 | 120.1° | 120.0° |
| C21 | C22 | H28 | 120.0° | 120.0° |
| C23 | C22 | H28 | 120.0° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C22 | C23 | H27 | 119.8° | 120.0° |
| C24 | C23 | H27 | 119.9° | 120.0° |
| C23 | C24 | H26 | 120.0° | 120.0° |
| H13 | C27 | H14 | 109.4° | 109.5° |
| H13 | C27 | H15 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.4° | 109.5° |
| H16 | C28 | H18 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.5° |
| N30 | C29 | O32 | 125.7° | 120.0° |
| C29 | N30 | C31 | 126.9° | 120.0° |
| C29 | N30 | H10 | 116.6° | 120.0° |
| C31 | N30 | H10 | 116.5° | 120.0° |
| N30 | C31 | C35 | 106.0° | 109.5° |
| N30 | C31 | C67 | 110.6° | 109.4° |
| N30 | C31 | C71 | 110.6° | 109.5° |
| C35 | C31 | C67 | 109.8° | 109.5° |
| C35 | C31 | C71 | 109.0° | 109.5° |
| C31 | C35 | H7 | 109.5° | 109.5° |
| C31 | C35 | H8 | 109.5° | 109.5° |
| C31 | C35 | H9 | 109.5° | 109.5° |
| C67 | C31 | C71 | 110.6° | 109.5° |
| C31 | C67 | H1 | 109.5° | 109.5° |
| C31 | C67 | H2 | 109.5° | 109.4° |
| C31 | C67 | H3 | 109.5° | 109.5° |
| C31 | C71 | H4 | 109.5° | 109.5° |
| C31 | C71 | H5 | 109.4° | 109.4° |
| C31 | C71 | H6 | 109.5° | 109.5° |
| H7 | C35 | H8 | 109.5° | 109.5° |
| H7 | C35 | H9 | 109.5° | 109.4° |
| H8 | C35 | H9 | 109.5° | 109.5° |
| H1 | C67 | H2 | 109.5° | 109.5° |
| H1 | C67 | H3 | 109.4° | 109.5° |
| H2 | C67 | H3 | 109.4° | 109.5° |
| H4 | C71 | H5 | 109.5° | 109.5° |
| H4 | C71 | H6 | 109.4° | 109.5° |
| H5 | C71 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H36 | 180.0° | 179.7° |
| C1 | C2 | C3 | H37 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H38 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | O33 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H37 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | O33 | 179.9° | 180.0° |
| C1 | C6 | C5 | C7 | 179.9° | 180.0° |
| C1 | C6 | O33 | H35 | 180.0° | 89.9° |
| H36 | C1 | C2 | C3 | 179.9° | 179.7° |
| H36 | C1 | C2 | H37 | 0.1° | 0.3° |
| H36 | C1 | C6 | C5 | 180.0° | 179.7° |
| H36 | C1 | C6 | O33 | 0.0° | 0.3° |
| C2 | C3 | C4 | H38 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | C8 | 179.8° | 180.0° |
| H37 | C2 | C3 | C4 | 179.9° | 180.0° |
| H37 | C2 | C3 | H38 | 0.1° | 0.1° |
| C3 | C4 | C5 | C8 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | C7 | 180.0° | 180.0° |
| C3 | C4 | C8 | N9 | 52.1° | 7.8° |
| C3 | C4 | C8 | O34 | 127.0° | 172.3° |
| H38 | C3 | C4 | C5 | 180.0° | 180.0° |
| H38 | C3 | C4 | C8 | 0.2° | 0.1° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C6 | O33 | 179.9° | 180.0° |
| C4 | C5 | C7 | H32 | 90.1° | 83.1° |
| C4 | C5 | C7 | H33 | 149.9° | 156.9° |
| C4 | C5 | C7 | H34 | 29.9° | 36.9° |
| C5 | C4 | C8 | N9 | 128.1° | 172.2° |
| C5 | C4 | C8 | O34 | 52.8° | 7.8° |
| C8 | C4 | C5 | C6 | 179.7° | 180.0° |
| C8 | C4 | C5 | C7 | 0.2° | 0.0° |
| C4 | C8 | N9 | O34 | 179.2° | 179.9° |
| C4 | C8 | N9 | C10 | 173.9° | 180.0° |
| C4 | C8 | N9 | H31 | 6.1° | 0.1° |
| C6 | C5 | C7 | H32 | 90.0° | 96.8° |
| C6 | C5 | C7 | H33 | 29.9° | 23.1° |
| C6 | C5 | C7 | H34 | 149.9° | 143.1° |
| C5 | C6 | O33 | H35 | 0.1° | 90.0° |
| C7 | C5 | C6 | O33 | 0.0° | 0.0° |
| C5 | C7 | H32 | H33 | 120.0° | 119.9° |
| C5 | C7 | H32 | H34 | 120.0° | 120.0° |
| C5 | C7 | H33 | H34 | 120.0° | 120.0° |
| H32 | C7 | H33 | H34 | 120.0° | 120.1° |
| C8 | N9 | C10 | H31 | 180.0° | 179.9° |
| C8 | N9 | C10 | C11 | 107.9° | 85.0° |
| C8 | N9 | C10 | C12 | 120.2° | 154.9° |
| C8 | N9 | C10 | H23 | 3.0° | 34.9° |
| O34 | C8 | N9 | C10 | 5.3° | 0.1° |
| O34 | C8 | N9 | H31 | 174.7° | 180.0° |
| N9 | C10 | C11 | C12 | 127.9° | 120.0° |
| N9 | C10 | C11 | H23 | 116.6° | 120.0° |
| N9 | C10 | C12 | H23 | 118.1° | 120.0° |
| N9 | C10 | C11 | C19 | 4.1° | 65.0° |
| N9 | C10 | C11 | H24 | 115.9° | 55.0° |
| N9 | C10 | C11 | H25 | 124.1° | 175.0° |
| N9 | C10 | C12 | C13 | 151.6° | 173.9° |
| N9 | C10 | C12 | O25 | 31.2° | 66.1° |
| N9 | C10 | C12 | H22 | 67.3° | 53.9° |
| H31 | N9 | C10 | C11 | 72.1° | 95.1° |
| H31 | N9 | C10 | C12 | 59.8° | 25.0° |
| H31 | N9 | C10 | H23 | 177.0° | 145.0° |
| C11 | C10 | C12 | H23 | 110.6° | 120.0° |
| C10 | C11 | C19 | H24 | 120.0° | 120.0° |
| C10 | C11 | C19 | H25 | 120.0° | 120.0° |
| C10 | C11 | H24 | H25 | 117.2° | 120.0° |
| C11 | C10 | C12 | C13 | 77.2° | 66.1° |
| C11 | C10 | C12 | O25 | 100.0° | 53.9° |
| C11 | C10 | C12 | H22 | 161.4° | 173.9° |
| C10 | C11 | C19 | C20 | 110.9° | 90.0° |
| C10 | C11 | C19 | C24 | 68.7° | 90.2° |
| C12 | C10 | C11 | C19 | 131.9° | 175.0° |
| C12 | C10 | C11 | H24 | 11.9° | 65.0° |
| C12 | C10 | C11 | H25 | 108.1° | 55.0° |
| C10 | C12 | C13 | O25 | 177.2° | 120.0° |
| C10 | C12 | C13 | H22 | 97.1° | 120.0° |
| C10 | C12 | O25 | H22 | 104.1° | 120.0° |
| C10 | C12 | C13 | N14 | 58.5° | 78.1° |
| C10 | C12 | C13 | O26 | 112.0° | 101.8° |
| C10 | C12 | O25 | H21 | 180.0° | 60.0° |
| H23 | C10 | C11 | C19 | 112.6° | 55.0° |
| H23 | C10 | C11 | H24 | 127.4° | 175.0° |
| H23 | C10 | C11 | H25 | 7.4° | 65.0° |
| H23 | C10 | C12 | C13 | 33.5° | 53.8° |
| H23 | C10 | C12 | O25 | 149.3° | 173.8° |
| H23 | C10 | C12 | H22 | 50.8° | 66.2° |
| C19 | C11 | H24 | H25 | 117.2° | 120.0° |
| C11 | C19 | C20 | C24 | 179.6° | 179.8° |
| C11 | C19 | C20 | C21 | 179.5° | 180.0° |
| C11 | C19 | C20 | H30 | 0.5° | 0.0° |
| C11 | C19 | C24 | C23 | 179.5° | 179.8° |
| C11 | C19 | C24 | H26 | 0.5° | 0.0° |
| H24 | C11 | C19 | C20 | 129.1° | 30.0° |
| H24 | C11 | C19 | C24 | 51.3° | 149.8° |
| H25 | C11 | C19 | C20 | 9.1° | 150.0° |
| H25 | C11 | C19 | C24 | 171.3° | 29.8° |
| C13 | C12 | O25 | H22 | 78.8° | 120.0° |
| C12 | C13 | N14 | O26 | 169.9° | 180.0° |
| C12 | C13 | N14 | C15 | 160.6° | 175.8° |
| C12 | C13 | N14 | C18 | 13.1° | 4.0° |
| C13 | C12 | O25 | H21 | 2.8° | 60.0° |
| O25 | C12 | C13 | N14 | 124.4° | 161.9° |
| O25 | C12 | C13 | O26 | 65.2° | 18.2° |
| H22 | C12 | C13 | N14 | 38.6° | 41.8° |
| H22 | C12 | C13 | O26 | 151.0° | 138.2° |
| H22 | C12 | O25 | H21 | 75.9° | 180.0° |
| C13 | N14 | C15 | C18 | 174.4° | 179.8° |
| C13 | N14 | C15 | C16 | 163.7° | 178.9° |
| C13 | N14 | C15 | C29 | 72.4° | 57.9° |
| C13 | N14 | C15 | H11 | 46.1° | 60.1° |
| C13 | N14 | C18 | S17 | 173.6° | 155.1° |
| C13 | N14 | C18 | H19 | 66.4° | 86.5° |
| C13 | N14 | C18 | H20 | 53.6° | 36.9° |
| O26 | C13 | N14 | C15 | 9.4° | 4.2° |
| O26 | C13 | N14 | C18 | 177.0° | 176.0° |
| N14 | C15 | C16 | C29 | 117.9° | 121.0° |
| N14 | C15 | C16 | H11 | 123.5° | 120.9° |
| N14 | C15 | C29 | H11 | 123.5° | 118.2° |
| N14 | C15 | C16 | S17 | 33.9° | 23.1° |
| N14 | C15 | C16 | C27 | 83.8° | 94.9° |
| N14 | C15 | C16 | C28 | 151.2° | 141.2° |
| C15 | N14 | C18 | S17 | 0.3° | 25.1° |
| C15 | N14 | C18 | H19 | 119.7° | 93.2° |
| C15 | N14 | C18 | H20 | 120.3° | 143.4° |
| N14 | C15 | C29 | N30 | 139.9° | 161.4° |
| N14 | C15 | C29 | O32 | 39.5° | 18.6° |
| C18 | N14 | C15 | C16 | 21.9° | 1.3° |
| C18 | N14 | C15 | C29 | 102.0° | 122.3° |
| C18 | N14 | C15 | H11 | 139.4° | 119.6° |
| N14 | C18 | S17 | C16 | 18.5° | 33.7° |
| N14 | C18 | S17 | H19 | 120.0° | 118.2° |
| N14 | C18 | S17 | H20 | 120.0° | 118.3° |
| N14 | C18 | H19 | H20 | 120.8° | 123.4° |
| C16 | C15 | C29 | H11 | 117.5° | 118.2° |
| C15 | C16 | S17 | C27 | 120.6° | 118.0° |
| C15 | C16 | S17 | C28 | 120.4° | 118.0° |
| C15 | C16 | C27 | C28 | 126.4° | 124.0° |
| C15 | C16 | S17 | C18 | 30.1° | 32.4° |
| C15 | C16 | C27 | H13 | 180.0° | 60.0° |
| C15 | C16 | C27 | H14 | 60.0° | 180.0° |
| C15 | C16 | C27 | H15 | 60.0° | 60.0° |
| C15 | C16 | C28 | H16 | 180.0° | 60.0° |
| C15 | C16 | C28 | H17 | 60.0° | 180.0° |
| C15 | C16 | C28 | H18 | 60.0° | 60.0° |
| C16 | C15 | C29 | N30 | 101.2° | 74.9° |
| C16 | C15 | C29 | O32 | 79.4° | 105.1° |
| C29 | C15 | C16 | S17 | 84.0° | 97.9° |
| C29 | C15 | C16 | C27 | 158.3° | 144.1° |
| C29 | C15 | C16 | C28 | 33.3° | 20.1° |
| C15 | C29 | N30 | O32 | 179.4° | 180.0° |
| C15 | C29 | N30 | C31 | 179.4° | 180.0° |
| C15 | C29 | N30 | H10 | 0.6° | 0.1° |
| H11 | C15 | C16 | S17 | 157.5° | 144.0° |
| H11 | C15 | C16 | C27 | 39.8° | 26.0° |
| H11 | C15 | C16 | C28 | 85.2° | 97.9° |
| H11 | C15 | C29 | N30 | 16.3° | 43.3° |
| H11 | C15 | C29 | O32 | 163.0° | 136.7° |
| S17 | C16 | C27 | C28 | 117.7° | 124.0° |
| C16 | S17 | C18 | H19 | 101.5° | 84.5° |
| C16 | S17 | C18 | H20 | 138.5° | 151.9° |
| S17 | C16 | C27 | H13 | 64.1° | 52.0° |
| S17 | C16 | C27 | H14 | 176.0° | 68.0° |
| S17 | C16 | C27 | H15 | 56.0° | 172.0° |
| S17 | C16 | C28 | H16 | 64.2° | 172.0° |
| S17 | C16 | C28 | H17 | 55.7° | 68.0° |
| S17 | C16 | C28 | H18 | 175.8° | 52.0° |
| C27 | C16 | S17 | C18 | 90.4° | 85.6° |
| C16 | C27 | H13 | H14 | 120.0° | 120.0° |
| C16 | C27 | H13 | H15 | 120.0° | 120.0° |
| C16 | C27 | H14 | H15 | 120.0° | 120.0° |
| C27 | C16 | C28 | H16 | 53.6° | 64.0° |
| C27 | C16 | C28 | H17 | 173.6° | 56.0° |
| C27 | C16 | C28 | H18 | 66.4° | 176.0° |
| C28 | C16 | S17 | C18 | 150.6° | 150.4° |
| C28 | C16 | C27 | H13 | 53.6° | 176.0° |
| C28 | C16 | C27 | H14 | 66.4° | 56.0° |
| C28 | C16 | C27 | H15 | 173.6° | 64.0° |
| C16 | C28 | H16 | H17 | 120.0° | 120.0° |
| C16 | C28 | H16 | H18 | 120.0° | 120.0° |
| C16 | C28 | H17 | H18 | 120.0° | 119.9° |
| S17 | C18 | H19 | H20 | 120.7° | 123.5° |
| C19 | C20 | C21 | H30 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | H29 | 179.9° | 180.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.5° |
| C20 | C19 | C24 | H26 | 179.9° | 179.8° |
| C24 | C19 | C20 | C21 | 0.1° | 0.2° |
| C24 | C19 | C20 | H30 | 179.9° | 179.8° |
| C19 | C24 | C23 | C22 | 0.0° | 0.5° |
| C19 | C24 | C23 | H26 | 180.0° | 179.8° |
| C19 | C24 | C23 | H27 | 180.0° | 179.7° |
| C20 | C21 | C22 | H29 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H28 | 179.8° | 179.9° |
| H30 | C20 | C21 | C22 | 180.0° | 180.0° |
| H30 | C20 | C21 | H29 | 0.1° | 0.0° |
| C21 | C22 | C23 | H28 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C21 | C22 | C23 | H27 | 179.9° | 179.9° |
| H29 | C21 | C22 | C23 | 179.8° | 180.0° |
| H29 | C21 | C22 | H28 | 0.2° | 0.1° |
| C22 | C23 | C24 | H27 | 180.0° | 179.8° |
| C22 | C23 | C24 | H26 | 180.0° | 179.8° |
| H28 | C22 | C23 | C24 | 179.9° | 179.9° |
| H28 | C22 | C23 | H27 | 0.2° | 0.0° |
| H27 | C23 | C24 | H26 | 0.0° | 0.0° |
| H13 | C27 | H14 | H15 | 120.0° | 120.0° |
| H16 | C28 | H17 | H18 | 120.0° | 120.1° |
| C29 | N30 | C31 | H10 | 180.0° | 179.9° |
| C29 | N30 | C31 | C35 | 179.4° | 60.0° |
| C29 | N30 | C31 | C67 | 60.5° | 180.0° |
| C29 | N30 | C31 | C71 | 62.5° | 60.0° |
| O32 | C29 | N30 | C31 | 0.1° | 0.0° |
| O32 | C29 | N30 | H10 | 179.9° | 179.9° |
| N30 | C31 | C35 | C67 | 119.5° | 120.0° |
| N30 | C31 | C35 | C71 | 119.1° | 120.0° |
| N30 | C31 | C67 | C71 | 123.0° | 120.0° |
| N30 | C31 | C35 | H7 | 180.0° | 60.0° |
| N30 | C31 | C35 | H8 | 60.0° | 180.0° |
| N30 | C31 | C35 | H9 | 60.0° | 60.0° |
| N30 | C31 | C67 | H1 | 180.0° | 60.0° |
| N30 | C31 | C67 | H2 | 60.0° | 180.0° |
| N30 | C31 | C67 | H3 | 60.0° | 60.0° |
| N30 | C31 | C71 | H4 | 180.0° | 60.0° |
| N30 | C31 | C71 | H5 | 60.0° | 180.0° |
| N30 | C31 | C71 | H6 | 60.0° | 60.0° |
| H10 | N30 | C31 | C35 | 0.6° | 120.1° |
| H10 | N30 | C31 | C67 | 119.5° | 0.1° |
| H10 | N30 | C31 | C71 | 117.5° | 119.9° |
| C35 | C31 | C67 | C71 | 120.4° | 120.0° |
| C31 | C35 | H7 | H8 | 120.0° | 120.0° |
| C31 | C35 | H7 | H9 | 120.0° | 120.0° |
| C31 | C35 | H8 | H9 | 120.0° | 120.0° |
| C35 | C31 | C67 | H1 | 63.3° | 180.0° |
| C35 | C31 | C67 | H2 | 176.6° | 60.0° |
| C35 | C31 | C67 | H3 | 56.7° | 60.0° |
| C35 | C31 | C71 | H4 | 63.8° | 60.0° |
| C35 | C31 | C71 | H5 | 56.2° | 60.0° |
| C35 | C31 | C71 | H6 | 176.2° | 180.0° |
| C67 | C31 | C35 | H7 | 60.5° | 60.0° |
| C67 | C31 | C35 | H8 | 59.5° | 60.0° |
| C67 | C31 | C35 | H9 | 179.5° | 180.0° |
| C31 | C67 | H1 | H2 | 120.0° | 120.0° |
| C31 | C67 | H1 | H3 | 120.0° | 120.0° |
| C31 | C67 | H2 | H3 | 120.0° | 120.0° |
| C67 | C31 | C71 | H4 | 57.0° | 180.0° |
| C67 | C31 | C71 | H5 | 177.0° | 60.1° |
| C67 | C31 | C71 | H6 | 62.9° | 60.0° |
| C71 | C31 | C35 | H7 | 60.9° | 180.0° |
| C71 | C31 | C35 | H8 | 179.1° | 60.0° |
| C71 | C31 | C35 | H9 | 59.2° | 60.0° |
| C71 | C31 | C67 | H1 | 57.0° | 60.0° |
| C71 | C31 | C67 | H2 | 63.0° | 60.0° |
| C71 | C31 | C67 | H3 | 177.0° | 180.0° |
| C31 | C71 | H4 | H5 | 120.0° | 119.9° |
| C31 | C71 | H4 | H6 | 120.0° | 120.0° |
| C31 | C71 | H5 | H6 | 120.0° | 120.0° |
| H7 | C35 | H8 | H9 | 120.0° | 119.9° |
| H1 | C67 | H2 | H3 | 119.9° | 120.0° |
| H4 | C71 | H5 | H6 | 119.9° | 120.0° |
