YKM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F29 | C28 | sing | 1.40Å | 1.37Å | |
| O20 | C16 | doub | 1.21Å | 1.23Å | |
| C28 | F30 | sing | 1.40Å | 1.38Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C28 | C31 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C32 | C25 | sing | 1.53Å | 1.55Å | |
| C16 | N17 | sing | 1.34Å | 1.41Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| O24 | C04 | doub | 1.22Å | 1.23Å | |
| C25 | C02 | sing | 1.53Å | 1.57Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | O03 | sing | 1.45Å | 1.38Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C19 | sing | 1.55Å | 1.54Å | |
| C04 | O03 | sing | 1.35Å | 1.37Å | |
| C04 | N05 | sing | 1.35Å | 1.38Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C10 | C08 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| N05 | C06 | sing | 1.46Å | 1.44Å | |
| C06 | C11 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| N12 | C11 | sing | 1.35Å | 1.40Å | |
| C13 | C21 | sing | 1.53Å | 1.54Å | |
| C11 | O23 | doub | 1.21Å | 1.24Å | |
| C08 | C07 | sing | 1.53Å | 1.56Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| C21 | O22 | sing | 1.43Å | 1.42Å | |
| 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 | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | S1 | sing | 1.81Å | 1.07Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| N05 | H34 | sing | 0.97Å | 1.00Å | |
| N12 | H35 | sing | 0.97Å | 1.00Å | |
| N17 | H36 | sing | 0.97Å | 1.00Å | |
| O22 | H37 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.23Å | |
| S1 | O2 | doub | 1.42Å | 34.23Å | |
| S1 | O3 | sing | 1.52Å | 34.23Å | |
| O3 | H23 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F29 | C28 | F30 | 98.2° | 109.5° |
| F29 | C28 | C27 | 109.4° | 109.5° |
| F29 | C28 | C31 | 109.8° | 109.4° |
| O20 | C16 | N17 | 123.7° | 124.9° |
| O20 | C16 | C15 | 126.4° | 125.0° |
| F30 | C28 | C27 | 112.5° | 109.5° |
| F30 | C28 | C31 | 112.0° | 109.5° |
| C27 | C28 | C31 | 113.8° | 109.4° |
| C28 | C27 | C26 | 111.2° | 109.4° |
| C28 | C27 | H28 | 109.0° | 109.4° |
| C28 | C27 | H29 | 109.1° | 109.5° |
| C28 | C31 | C32 | 111.5° | 109.5° |
| C28 | C31 | H30 | 109.0° | 109.5° |
| C28 | C31 | H31 | 109.0° | 109.4° |
| C27 | C26 | C25 | 110.0° | 109.5° |
| C27 | C26 | H26 | 109.3° | 109.5° |
| C27 | C26 | H27 | 109.4° | 109.5° |
| C26 | C27 | H28 | 109.0° | 109.5° |
| C26 | C27 | H29 | 109.0° | 109.5° |
| C26 | C25 | C32 | 108.2° | 109.5° |
| C26 | C25 | C02 | 112.5° | 109.5° |
| C26 | C25 | H25 | 109.0° | 109.5° |
| C25 | C26 | H26 | 109.4° | 109.5° |
| C25 | C26 | H27 | 109.3° | 109.5° |
| C31 | C32 | C25 | 111.4° | 109.5° |
| C32 | C31 | H30 | 109.0° | 109.5° |
| C32 | C31 | H31 | 109.0° | 109.5° |
| C31 | C32 | H32 | 109.0° | 109.5° |
| C31 | C32 | H33 | 109.0° | 109.5° |
| C32 | C25 | C02 | 109.8° | 109.5° |
| C32 | C25 | H25 | 108.7° | 109.5° |
| C25 | C32 | H32 | 109.0° | 109.5° |
| C25 | C32 | H33 | 109.0° | 109.5° |
| N17 | C16 | C15 | 109.9° | 110.1° |
| C16 | N17 | C18 | 111.2° | 111.3° |
| C16 | N17 | H36 | 124.4° | 124.4° |
| C16 | C15 | C14 | 111.6° | 110.5° |
| C16 | C15 | C19 | 103.6° | 104.2° |
| C16 | C15 | H18 | 110.3° | 110.6° |
| N17 | C18 | C19 | 105.3° | 105.4° |
| N17 | C18 | H19 | 110.5° | 110.2° |
| N17 | C18 | H20 | 110.5° | 110.3° |
| C18 | N17 | H36 | 124.4° | 124.3° |
| O24 | C04 | O03 | 120.2° | 120.0° |
| O24 | C04 | N05 | 122.7° | 120.0° |
| C25 | C02 | C01 | 113.0° | 109.5° |
| C25 | C02 | O03 | 106.1° | 109.5° |
| C25 | C02 | H4 | 109.5° | 109.5° |
| C02 | C25 | H25 | 108.5° | 109.4° |
| C01 | C02 | O03 | 106.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.8° | 109.5° |
| C02 | O03 | C04 | 119.6° | 117.0° |
| O03 | C02 | H4 | 112.2° | 109.5° |
| C14 | C15 | C19 | 110.9° | 110.5° |
| C15 | C14 | C13 | 113.7° | 109.5° |
| C15 | C14 | H16 | 108.4° | 109.4° |
| C15 | C14 | H17 | 108.4° | 109.5° |
| C14 | C15 | H18 | 110.2° | 110.5° |
| C15 | C19 | C18 | 106.6° | 101.8° |
| C19 | C15 | H18 | 110.1° | 110.5° |
| C15 | C19 | H21 | 110.2° | 111.0° |
| C15 | C19 | H22 | 110.2° | 111.0° |
| O03 | C04 | N05 | 117.1° | 120.0° |
| C04 | N05 | C06 | 119.7° | 120.0° |
| C04 | N05 | H34 | 120.1° | 120.0° |
| C19 | C18 | H19 | 110.5° | 110.2° |
| C19 | C18 | H20 | 110.5° | 110.3° |
| C18 | C19 | H21 | 110.2° | 111.0° |
| C18 | C19 | H22 | 110.2° | 110.9° |
| C10 | C08 | C07 | 112.0° | 109.4° |
| C10 | C08 | C09 | 110.4° | 109.5° |
| C10 | C08 | H8 | 107.5° | 109.5° |
| C08 | C10 | H12 | 109.5° | 109.5° |
| C08 | C10 | H13 | 109.5° | 109.4° |
| C08 | C10 | H14 | 109.5° | 109.5° |
| C14 | C13 | N12 | 109.6° | 109.5° |
| C14 | C13 | C21 | 109.5° | 109.5° |
| C14 | C13 | H15 | 108.7° | 109.5° |
| C13 | C14 | H16 | 108.4° | 109.5° |
| C13 | C14 | H17 | 108.4° | 109.5° |
| N05 | C06 | C11 | 109.4° | 109.5° |
| N05 | C06 | C07 | 108.7° | 109.5° |
| N05 | C06 | H5 | 110.0° | 109.5° |
| C06 | N05 | H34 | 120.2° | 120.0° |
| C11 | C06 | C07 | 111.1° | 109.5° |
| C06 | C11 | N12 | 119.4° | 120.0° |
| C06 | C11 | O23 | 119.6° | 120.0° |
| C11 | C06 | H5 | 108.8° | 109.4° |
| C06 | C07 | C08 | 112.5° | 109.5° |
| C07 | C06 | H5 | 108.7° | 109.4° |
| C06 | C07 | H6 | 108.7° | 109.5° |
| C06 | C07 | H7 | 108.7° | 109.5° |
| C13 | N12 | C11 | 123.7° | 120.0° |
| N12 | C13 | C21 | 110.2° | 109.5° |
| N12 | C13 | H15 | 109.8° | 109.4° |
| C13 | N12 | H35 | 118.1° | 120.0° |
| N12 | C11 | O23 | 121.0° | 120.0° |
| C11 | N12 | H35 | 118.2° | 120.0° |
| C13 | C21 | O22 | 107.8° | 109.5° |
| C21 | C13 | H15 | 109.0° | 109.5° |
| C13 | C21 | S1 | 110.5° | 109.5° |
| C13 | C21 | H24 | 106.2° | 109.5° |
| C07 | C08 | C09 | 112.0° | 109.5° |
| C08 | C07 | H6 | 108.7° | 109.5° |
| C08 | C07 | H7 | 108.7° | 109.5° |
| C07 | C08 | H8 | 107.3° | 109.5° |
| C09 | C08 | H8 | 107.4° | 109.5° |
| C08 | C09 | H9 | 109.5° | 109.5° |
| C08 | C09 | H10 | 109.5° | 109.4° |
| C08 | C09 | H11 | 109.4° | 109.5° |
| O22 | C21 | S1 | 110.6° | 109.5° |
| O22 | C21 | H24 | 107.7° | 109.4° |
| C21 | O22 | H37 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.4° | 109.5° |
| H9 | C09 | H11 | 109.5° | 109.4° |
| H10 | C09 | H11 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H12 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 110.3° |
| H21 | C19 | H22 | 109.5° | 110.9° |
| S1 | C21 | H24 | 113.7° | 109.4° |
| C21 | S1 | O1 | 136.2° | 110.5° |
| C21 | S1 | O2 | 136.2° | 110.5° |
| C21 | S1 | O3 | 136.2° | 104.5° |
| H26 | C26 | H27 | 109.4° | 109.4° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.4° | 109.4° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| O1 | S1 | O2 | 0.0° | 121.1° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.2° |
| S1 | O3 | H23 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F29 | C28 | F30 | C27 | 115.0° | 120.0° |
| F29 | C28 | F30 | C31 | 115.3° | 120.0° |
| F29 | C28 | C27 | C31 | 123.2° | 119.9° |
| F29 | C28 | C27 | C26 | 74.2° | 60.0° |
| F29 | C28 | C31 | C32 | 77.0° | 60.0° |
| F29 | C28 | C27 | H28 | 165.5° | 60.0° |
| F29 | C28 | C27 | H29 | 46.0° | 180.0° |
| F29 | C28 | C31 | H30 | 43.3° | 60.1° |
| F29 | C28 | C31 | H31 | 162.7° | 180.0° |
| O20 | C16 | N17 | C15 | 178.4° | 180.0° |
| O20 | C16 | N17 | C18 | 178.7° | 179.6° |
| O20 | C16 | C15 | C14 | 50.8° | 45.1° |
| O20 | C16 | C15 | C19 | 170.1° | 163.8° |
| O20 | C16 | C15 | H18 | 72.1° | 77.5° |
| O20 | C16 | N17 | H36 | 1.3° | 0.5° |
| F30 | C28 | C27 | C31 | 128.8° | 120.0° |
| F30 | C28 | C27 | C26 | 177.8° | 180.0° |
| F30 | C28 | C31 | C32 | 175.0° | 180.0° |
| F30 | C28 | C27 | H28 | 57.5° | 60.0° |
| F30 | C28 | C27 | H29 | 62.0° | 60.0° |
| F30 | C28 | C31 | H30 | 64.7° | 60.0° |
| F30 | C28 | C31 | H31 | 54.7° | 60.0° |
| C28 | C27 | C26 | H28 | 120.3° | 119.9° |
| C28 | C27 | C26 | H29 | 120.3° | 120.0° |
| C28 | C27 | C26 | C25 | 58.1° | 60.0° |
| C27 | C28 | C31 | C32 | 46.0° | 60.0° |
| C28 | C27 | C26 | H26 | 178.2° | 60.0° |
| C28 | C27 | C26 | H27 | 62.0° | 179.9° |
| C28 | C27 | H28 | H29 | 119.2° | 120.0° |
| C27 | C28 | C31 | H30 | 166.3° | 179.9° |
| C27 | C28 | C31 | H31 | 74.3° | 60.0° |
| C31 | C28 | C27 | C26 | 49.0° | 60.0° |
| C28 | C31 | C32 | H30 | 120.3° | 120.0° |
| C28 | C31 | C32 | H31 | 120.3° | 120.0° |
| C28 | C31 | C32 | C25 | 52.5° | 60.0° |
| C31 | C28 | C27 | H28 | 71.3° | 180.0° |
| C31 | C28 | C27 | H29 | 169.2° | 60.0° |
| C28 | C31 | H30 | H31 | 119.1° | 120.0° |
| C28 | C31 | C32 | H32 | 67.8° | 180.0° |
| C28 | C31 | C32 | H33 | 172.8° | 60.0° |
| C27 | C26 | C25 | H26 | 120.1° | 120.0° |
| C27 | C26 | C25 | H27 | 120.1° | 120.0° |
| C27 | C26 | C25 | C32 | 64.3° | 60.0° |
| C27 | C26 | C25 | C02 | 174.3° | 180.0° |
| C27 | C26 | C25 | H25 | 53.8° | 60.0° |
| C27 | C26 | H26 | H27 | 119.8° | 120.0° |
| C26 | C27 | H28 | H29 | 119.2° | 120.1° |
| C26 | C25 | C32 | C31 | 61.8° | 60.0° |
| C26 | C25 | C32 | C02 | 123.1° | 120.0° |
| C26 | C25 | C32 | H25 | 118.3° | 120.0° |
| C26 | C25 | C02 | H25 | 120.8° | 120.0° |
| C26 | C25 | C02 | C01 | 60.4° | 175.0° |
| C26 | C25 | C02 | O03 | 176.5° | 65.0° |
| C26 | C25 | C02 | H4 | 62.3° | 55.0° |
| C25 | C26 | H26 | H27 | 119.7° | 120.0° |
| C25 | C26 | C27 | H28 | 62.2° | 180.0° |
| C25 | C26 | C27 | H29 | 178.4° | 60.0° |
| C26 | C25 | C32 | H32 | 58.6° | 180.0° |
| C26 | C25 | C32 | H33 | 178.0° | 60.0° |
| C31 | C32 | C25 | H32 | 120.3° | 120.0° |
| C31 | C32 | C25 | H33 | 120.3° | 120.0° |
| C31 | C32 | C25 | C02 | 175.2° | 180.0° |
| C31 | C32 | C25 | H25 | 56.5° | 60.1° |
| C32 | C31 | H30 | H31 | 119.1° | 120.0° |
| C31 | C32 | H32 | H33 | 119.1° | 120.0° |
| C32 | C25 | C02 | H25 | 118.7° | 120.0° |
| C32 | C25 | C02 | C01 | 179.1° | 65.0° |
| C32 | C25 | C02 | O03 | 63.0° | 55.0° |
| C32 | C25 | C02 | H4 | 58.2° | 175.0° |
| C32 | C25 | C26 | H26 | 175.6° | 60.0° |
| C32 | C25 | C26 | H27 | 55.8° | 180.0° |
| C25 | C32 | C31 | H30 | 172.8° | 180.0° |
| C25 | C32 | C31 | H31 | 67.8° | 60.0° |
| C25 | C32 | H32 | H33 | 119.1° | 120.0° |
| C16 | N17 | C18 | H36 | 180.0° | 180.0° |
| N17 | C16 | C15 | C14 | 130.9° | 134.9° |
| N17 | C16 | C15 | C19 | 11.5° | 16.3° |
| C16 | N17 | C18 | C19 | 11.3° | 17.0° |
| N17 | C16 | C15 | H18 | 106.3° | 102.5° |
| C16 | N17 | C18 | H19 | 108.0° | 136.0° |
| C16 | N17 | C18 | H20 | 130.7° | 102.0° |
| C15 | C16 | N17 | C18 | 0.3° | 0.4° |
| C16 | C15 | C14 | C19 | 114.9° | 114.8° |
| C16 | C15 | C14 | H18 | 123.0° | 122.7° |
| C16 | C15 | C19 | H18 | 118.0° | 118.8° |
| C16 | C15 | C19 | C18 | 18.0° | 24.8° |
| C16 | C15 | C14 | C13 | 179.0° | 179.9° |
| C16 | C15 | C14 | H16 | 60.3° | 59.9° |
| C16 | C15 | C14 | H17 | 58.4° | 60.1° |
| C16 | C15 | C19 | H21 | 101.5° | 93.3° |
| C16 | C15 | C19 | H22 | 137.6° | 142.9° |
| C15 | C16 | N17 | H36 | 179.7° | 179.6° |
| N17 | C18 | C19 | C15 | 18.2° | 25.4° |
| N17 | C18 | C19 | H19 | 119.3° | 118.9° |
| N17 | C18 | C19 | H20 | 119.3° | 119.1° |
| N17 | C18 | H19 | H20 | 122.0° | 122.0° |
| N17 | C18 | C19 | H21 | 101.4° | 92.7° |
| N17 | C18 | C19 | H22 | 137.7° | 143.5° |
| O24 | C04 | O03 | C02 | 4.7° | 0.0° |
| O24 | C04 | O03 | N05 | 179.8° | 179.9° |
| O24 | C04 | N05 | C06 | 15.5° | 0.1° |
| O24 | C04 | N05 | H34 | 164.4° | 180.0° |
| C25 | C02 | C01 | O03 | 116.0° | 120.0° |
| C25 | C02 | C01 | H4 | 122.5° | 120.0° |
| C25 | C02 | O03 | H4 | 119.5° | 120.0° |
| C25 | C02 | O03 | C04 | 162.8° | 150.0° |
| C25 | C02 | C01 | H1 | 180.0° | 60.0° |
| C25 | C02 | C01 | H2 | 60.0° | 180.0° |
| C25 | C02 | C01 | H3 | 60.0° | 60.0° |
| C02 | C25 | C26 | H26 | 54.2° | 60.0° |
| C02 | C25 | C26 | H27 | 65.6° | 59.9° |
| C02 | C25 | C32 | H32 | 64.5° | 60.0° |
| C02 | C25 | C32 | H33 | 54.9° | 60.0° |
| C01 | C02 | O03 | H4 | 120.0° | 120.0° |
| C01 | C02 | O03 | C04 | 76.7° | 90.0° |
| 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 | C25 | H25 | 60.4° | 55.0° |
| C02 | O03 | C04 | N05 | 175.1° | 180.0° |
| O03 | C02 | C01 | H1 | 64.0° | 180.0° |
| O03 | C02 | C01 | H2 | 56.0° | 60.0° |
| O03 | C02 | C01 | H3 | 176.0° | 60.0° |
| O03 | C02 | C25 | H25 | 55.7° | 175.0° |
| C14 | C15 | C19 | H18 | 122.1° | 122.5° |
| C14 | C15 | C19 | C18 | 137.9° | 143.5° |
| C15 | C14 | C13 | H16 | 120.6° | 120.0° |
| C15 | C14 | C13 | H17 | 120.6° | 120.0° |
| C15 | C14 | C13 | N12 | 65.0° | 63.7° |
| C15 | C14 | C13 | C21 | 174.0° | 176.3° |
| C15 | C14 | C13 | H15 | 55.0° | 56.2° |
| C15 | C14 | H16 | H17 | 118.1° | 120.0° |
| C14 | C15 | C19 | H21 | 18.4° | 25.4° |
| C14 | C15 | C19 | H22 | 102.6° | 98.4° |
| C15 | C19 | C18 | H21 | 119.5° | 118.1° |
| C15 | C19 | C18 | H22 | 119.6° | 118.1° |
| C19 | C15 | C14 | C13 | 66.0° | 65.4° |
| C19 | C15 | C14 | H16 | 54.6° | 174.6° |
| C19 | C15 | C14 | H17 | 173.3° | 54.7° |
| C15 | C19 | C18 | H19 | 101.2° | 144.4° |
| C15 | C19 | C18 | H20 | 137.5° | 93.6° |
| C15 | C19 | H21 | H22 | 121.4° | 123.8° |
| O03 | C04 | N05 | C06 | 164.3° | 180.0° |
| C04 | O03 | C02 | H4 | 43.3° | 30.0° |
| O03 | C04 | N05 | H34 | 15.7° | 0.1° |
| C04 | N05 | C06 | H34 | 180.0° | 179.9° |
| C04 | N05 | C06 | C11 | 59.1° | 154.9° |
| C04 | N05 | C06 | C07 | 179.3° | 85.0° |
| C04 | N05 | C06 | H5 | 60.4° | 34.9° |
| C18 | C19 | C15 | H18 | 100.0° | 94.0° |
| C19 | C18 | H19 | H20 | 121.9° | 122.0° |
| C18 | C19 | H21 | H22 | 121.3° | 123.8° |
| C19 | C18 | N17 | H36 | 168.7° | 163.0° |
| C10 | C08 | C07 | C06 | 53.8° | 65.0° |
| C10 | C08 | C07 | C09 | 124.7° | 120.0° |
| C10 | C08 | C07 | H8 | 117.8° | 120.0° |
| C10 | C08 | C09 | H8 | 116.9° | 120.0° |
| C10 | C08 | C07 | H6 | 174.3° | 175.0° |
| C10 | C08 | C07 | H7 | 66.6° | 55.0° |
| C10 | C08 | C09 | H9 | 180.0° | 60.0° |
| C10 | C08 | C09 | H10 | 60.0° | 60.1° |
| C10 | C08 | C09 | H11 | 60.0° | 180.0° |
| C08 | C10 | H12 | H13 | 120.0° | 119.9° |
| C08 | C10 | H12 | H14 | 120.0° | 120.0° |
| C08 | C10 | H13 | H14 | 120.0° | 120.0° |
| C14 | C13 | N12 | C21 | 120.6° | 120.0° |
| C14 | C13 | N12 | H15 | 119.3° | 120.0° |
| C14 | C13 | N12 | C11 | 107.3° | 148.4° |
| C14 | C13 | C21 | H15 | 118.8° | 120.0° |
| C14 | C13 | C21 | O22 | 174.2° | 175.0° |
| C13 | C14 | H16 | H17 | 118.1° | 120.0° |
| C13 | C14 | C15 | H18 | 56.1° | 57.1° |
| C14 | C13 | C21 | S1 | 64.8° | 65.0° |
| C14 | C13 | C21 | H24 | 59.0° | 55.0° |
| C14 | C13 | N12 | H35 | 72.7° | 31.5° |
| N05 | C06 | C11 | C07 | 120.1° | 120.1° |
| N05 | C06 | C11 | H5 | 120.2° | 120.0° |
| N05 | C06 | C07 | H5 | 119.8° | 120.0° |
| N05 | C06 | C11 | N12 | 145.0° | 180.0° |
| N05 | C06 | C11 | O23 | 34.0° | 0.1° |
| N05 | C06 | C07 | C08 | 57.7° | 65.0° |
| N05 | C06 | C07 | H6 | 62.7° | 55.0° |
| N05 | C06 | C07 | H7 | 178.2° | 175.0° |
| C11 | C06 | C07 | H5 | 119.7° | 119.9° |
| C06 | C11 | N12 | C13 | 178.5° | 180.0° |
| C06 | C11 | N12 | O23 | 179.0° | 179.9° |
| C11 | C06 | C07 | C08 | 178.2° | 175.0° |
| C11 | C06 | C07 | H6 | 57.8° | 65.1° |
| C11 | C06 | C07 | H7 | 61.3° | 55.0° |
| C11 | C06 | N05 | H34 | 120.9° | 25.0° |
| C06 | C11 | N12 | H35 | 1.5° | 0.1° |
| C07 | C06 | C11 | N12 | 94.9° | 59.9° |
| C07 | C06 | C11 | O23 | 86.1° | 120.0° |
| C06 | C07 | C08 | H6 | 120.5° | 120.0° |
| C06 | C07 | C08 | H7 | 120.4° | 120.0° |
| C06 | C07 | C08 | C09 | 178.5° | 175.0° |
| C06 | C07 | H6 | H7 | 118.6° | 120.0° |
| C06 | C07 | C08 | H8 | 63.9° | 55.0° |
| C07 | C06 | N05 | H34 | 0.7° | 95.1° |
| C13 | N12 | C11 | H35 | 180.0° | 179.9° |
| N12 | C13 | C21 | H15 | 120.6° | 120.0° |
| C13 | N12 | C11 | O23 | 0.5° | 0.0° |
| N12 | C13 | C21 | O22 | 65.2° | 65.0° |
| N12 | C13 | C14 | H16 | 174.4° | 56.2° |
| N12 | C13 | C14 | H17 | 55.6° | 176.3° |
| N12 | C13 | C21 | S1 | 55.8° | 55.0° |
| N12 | C13 | C21 | H24 | 179.6° | 175.0° |
| C11 | N12 | C13 | C21 | 132.1° | 91.6° |
| N12 | C11 | C06 | H5 | 24.8° | 60.0° |
| C11 | N12 | C13 | H15 | 12.0° | 28.5° |
| C13 | C21 | O22 | S1 | 121.0° | 120.0° |
| C13 | C21 | O22 | H24 | 114.2° | 120.1° |
| C21 | C13 | C14 | H16 | 53.4° | 63.8° |
| C21 | C13 | C14 | H17 | 65.4° | 56.3° |
| C13 | C21 | S1 | H24 | 119.3° | 120.1° |
| C21 | C13 | N12 | H35 | 47.9° | 88.5° |
| C13 | C21 | O22 | H37 | 180.0° | 60.0° |
| C13 | C21 | S1 | O1 | 83.1° | 68.4° |
| C13 | C21 | S1 | O2 | 83.1° | 68.4° |
| C13 | C21 | S1 | O3 | 83.1° | 180.0° |
| O23 | C11 | C06 | H5 | 154.2° | 120.0° |
| O23 | C11 | N12 | H35 | 179.5° | 180.0° |
| C07 | C08 | C09 | H8 | 117.5° | 120.0° |
| C08 | C07 | C06 | H5 | 62.0° | 55.0° |
| C08 | C07 | H6 | H7 | 118.6° | 120.0° |
| C07 | C08 | C09 | H9 | 54.4° | 59.9° |
| C07 | C08 | C09 | H10 | 65.5° | 180.0° |
| C07 | C08 | C09 | H11 | 174.4° | 60.0° |
| C07 | C08 | C10 | H12 | 180.0° | 60.0° |
| C07 | C08 | C10 | H13 | 60.0° | 179.9° |
| C07 | C08 | C10 | H14 | 60.0° | 60.0° |
| C09 | C08 | C07 | H6 | 61.0° | 55.0° |
| C09 | C08 | C07 | H7 | 58.1° | 65.0° |
| C08 | C09 | H9 | H10 | 120.0° | 120.0° |
| C08 | C09 | H9 | H11 | 120.0° | 120.0° |
| C08 | C09 | H10 | H11 | 120.0° | 120.0° |
| C09 | C08 | C10 | H12 | 54.5° | 180.0° |
| C09 | C08 | C10 | H13 | 65.5° | 60.1° |
| C09 | C08 | C10 | H14 | 174.5° | 60.0° |
| O22 | C21 | C13 | H15 | 55.4° | 55.0° |
| O22 | C21 | S1 | H24 | 121.3° | 119.9° |
| O22 | C21 | S1 | O1 | 157.5° | 171.6° |
| O22 | C21 | S1 | O2 | 157.5° | 51.6° |
| O22 | C21 | S1 | O3 | 157.5° | 60.0° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H1 | C01 | C02 | H4 | 57.5° | 60.0° |
| H2 | C01 | C02 | H4 | 177.5° | 60.0° |
| H3 | C01 | C02 | H4 | 62.5° | 180.0° |
| H4 | C02 | C25 | H25 | 177.0° | 65.0° |
| H5 | C06 | C07 | H6 | 177.5° | 175.0° |
| H5 | C06 | C07 | H7 | 58.4° | 65.0° |
| H5 | C06 | N05 | H34 | 119.6° | 145.0° |
| H6 | C07 | C08 | H8 | 56.5° | 65.0° |
| H7 | C07 | C08 | H8 | 175.6° | 175.0° |
| H8 | C08 | C09 | H9 | 63.1° | 180.0° |
| H8 | C08 | C09 | H10 | 176.9° | 60.0° |
| H8 | C08 | C09 | H11 | 56.9° | 60.0° |
| H8 | C08 | C10 | H12 | 62.4° | 59.9° |
| H8 | C08 | C10 | H13 | 177.6° | 60.0° |
| H8 | C08 | C10 | H14 | 57.7° | 180.0° |
| H9 | C09 | H10 | H11 | 120.0° | 120.0° |
| H12 | C10 | H13 | H14 | 120.0° | 120.0° |
| H15 | C13 | C14 | H16 | 65.6° | 176.2° |
| H15 | C13 | C14 | H17 | 175.6° | 63.8° |
| H15 | C13 | C21 | S1 | 176.4° | 175.0° |
| H15 | C13 | C21 | H24 | 59.8° | 65.0° |
| H15 | C13 | N12 | H35 | 168.0° | 151.5° |
| H16 | C14 | C15 | H18 | 176.7° | 62.9° |
| H17 | C14 | C15 | H18 | 64.6° | 177.2° |
| H18 | C15 | C19 | H21 | 140.5° | 147.9° |
| H18 | C15 | C19 | H22 | 19.6° | 24.1° |
| H19 | C18 | C19 | H21 | 139.3° | 26.2° |
| H19 | C18 | C19 | H22 | 18.4° | 97.5° |
| H19 | C18 | N17 | H36 | 72.0° | 44.0° |
| H20 | C18 | C19 | H21 | 18.0° | 148.3° |
| H20 | C18 | C19 | H22 | 102.9° | 24.5° |
| H20 | C18 | N17 | H36 | 49.4° | 78.0° |
| S1 | C21 | O22 | H37 | 59.0° | 60.0° |
| C21 | S1 | O1 | O2 | 90.0° | 131.5° |
| C21 | S1 | O1 | O3 | 90.0° | 111.7° |
| C21 | S1 | O2 | O3 | 90.0° | 111.7° |
| C21 | S1 | O3 | H23 | 90.0° | 180.0° |
| H24 | C21 | O22 | H37 | 65.8° | 179.9° |
| H24 | C21 | S1 | O1 | 36.2° | 51.7° |
| H24 | C21 | S1 | O2 | 36.2° | 171.6° |
| H24 | C21 | S1 | O3 | 36.2° | 60.0° |
| H25 | C25 | C26 | H26 | 66.3° | 180.0° |
| H25 | C25 | C26 | H27 | 173.9° | 60.0° |
| H25 | C25 | C32 | H32 | 176.9° | 59.9° |
| H25 | C25 | C32 | H33 | 63.7° | 180.0° |
| H26 | C26 | C27 | H28 | 58.0° | 59.9° |
| H26 | C26 | C27 | H29 | 61.5° | 180.0° |
| H27 | C26 | C27 | H28 | 177.8° | 60.0° |
| H27 | C26 | C27 | H29 | 58.3° | 60.1° |
| H30 | C31 | C32 | H32 | 52.5° | 60.0° |
| H30 | C31 | C32 | H33 | 66.9° | 60.0° |
| H31 | C31 | C32 | H32 | 171.9° | 60.0° |
| H31 | C31 | C32 | H33 | 52.5° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H23 | 90.0° | 63.9° |
| O2 | S1 | O3 | H23 | 90.0° | 64.0° |
