YKD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N17 | doub | 1.29Å | 1.46Å | |
| C18 | C19 | sing | 1.51Å | 1.56Å | |
| N17 | C16 | sing | 1.34Å | 1.39Å | |
| C16 | O20 | doub | 1.21Å | 1.22Å | |
| C16 | C15 | sing | 1.52Å | 1.52Å | |
| C19 | C15 | sing | 1.54Å | 1.52Å | |
| O22 | C21 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C13 | C21 | sing | 1.53Å | 1.58Å | |
| C13 | N12 | sing | 1.47Å | 1.48Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| O23 | C11 | doub | 1.21Å | 1.22Å | |
| N12 | C11 | sing | 1.35Å | 1.38Å | |
| C25 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | O03 | sing | 1.45Å | 1.42Å | |
| C02 | C26 | sing | 1.53Å | 1.55Å | |
| C11 | C06 | sing | 1.51Å | 1.52Å | |
| O24 | C04 | doub | 1.21Å | 1.25Å | |
| O03 | C04 | sing | 1.35Å | 1.37Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C04 | N05 | sing | 1.35Å | 1.39Å | |
| C26 | C33 | sing | 1.53Å | 1.53Å | |
| C06 | N05 | sing | 1.47Å | 1.44Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C29 | C32 | sing | 1.53Å | 1.55Å | |
| C29 | F31 | sing | 1.40Å | 1.35Å | |
| C29 | F30 | sing | 1.40Å | 1.35Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C10 | sing | 1.53Å | 1.52Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | S1 | sing | 1.81Å | 1.07Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| N05 | H35 | sing | 0.97Å | 1.00Å | |
| N12 | H36 | sing | 0.97Å | 1.00Å | |
| O22 | H37 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 41.82Å | |
| S1 | O2 | doub | 1.42Å | 41.82Å | |
| S1 | O3 | sing | 1.52Å | 41.82Å | |
| O3 | H27 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N17 | C18 | C19 | 103.1° | 109.8° |
| C18 | N17 | C16 | 113.3° | 115.4° |
| N17 | C18 | H4 | 128.4° | 125.1° |
| C18 | C19 | C15 | 110.0° | 103.2° |
| C19 | C18 | H4 | 128.5° | 125.1° |
| C18 | C19 | H5 | 109.3° | 110.7° |
| C18 | C19 | H6 | 109.3° | 110.6° |
| N17 | C16 | O20 | 123.0° | 125.6° |
| N17 | C16 | C15 | 111.2° | 108.7° |
| O20 | C16 | C15 | 125.8° | 125.7° |
| C16 | C15 | C19 | 102.4° | 102.9° |
| C16 | C15 | C14 | 115.2° | 110.8° |
| C16 | C15 | H3 | 109.0° | 110.8° |
| C19 | C15 | C14 | 112.2° | 110.8° |
| C19 | C15 | H3 | 109.0° | 110.8° |
| C15 | C19 | H5 | 109.4° | 110.6° |
| C15 | C19 | H6 | 109.3° | 110.8° |
| O22 | C21 | C13 | 106.7° | 109.4° |
| O22 | C21 | S1 | 110.8° | 109.5° |
| O22 | C21 | H28 | 108.2° | 109.5° |
| C21 | O22 | H37 | 109.5° | 114.0° |
| C15 | C14 | C13 | 113.9° | 109.5° |
| C15 | C14 | H1 | 108.3° | 109.5° |
| C15 | C14 | H2 | 108.3° | 109.5° |
| C14 | C15 | H3 | 108.7° | 110.7° |
| C14 | C13 | C21 | 112.1° | 109.5° |
| C14 | C13 | N12 | 111.3° | 109.4° |
| C13 | C14 | H1 | 108.3° | 109.4° |
| C13 | C14 | H2 | 108.3° | 109.5° |
| C14 | C13 | H26 | 108.0° | 109.5° |
| C21 | C13 | N12 | 108.2° | 109.4° |
| C21 | C13 | H26 | 107.9° | 109.5° |
| C13 | C21 | S1 | 110.8° | 109.4° |
| C13 | C21 | H28 | 106.0° | 109.5° |
| C13 | N12 | C11 | 124.1° | 120.0° |
| N12 | C13 | H26 | 109.1° | 109.5° |
| C13 | N12 | H36 | 117.9° | 120.0° |
| C01 | C02 | C25 | 106.2° | 109.5° |
| C01 | C02 | O03 | 110.6° | 109.4° |
| C01 | C02 | C26 | 113.8° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.4° | 109.4° |
| O23 | C11 | N12 | 119.5° | 120.0° |
| O23 | C11 | C06 | 117.6° | 120.0° |
| N12 | C11 | C06 | 122.9° | 120.0° |
| C11 | N12 | H36 | 117.9° | 120.0° |
| C25 | C02 | O03 | 105.6° | 109.5° |
| C25 | C02 | C26 | 109.2° | 109.5° |
| C02 | C25 | H7 | 109.5° | 109.5° |
| C02 | C25 | H8 | 109.4° | 109.4° |
| C02 | C25 | H9 | 109.5° | 109.5° |
| O03 | C02 | C26 | 111.0° | 109.5° |
| C02 | O03 | C04 | 124.6° | 117.0° |
| C02 | C26 | C27 | 121.0° | 109.5° |
| C02 | C26 | C33 | 112.3° | 109.5° |
| C02 | C26 | H10 | 106.1° | 109.5° |
| C11 | C06 | N05 | 108.4° | 109.5° |
| C11 | C06 | C07 | 109.0° | 109.5° |
| C11 | C06 | H16 | 109.5° | 109.4° |
| O24 | C04 | O03 | 122.4° | 120.0° |
| O24 | C04 | N05 | 121.1° | 120.0° |
| O03 | C04 | N05 | 116.4° | 120.0° |
| C26 | C27 | C28 | 115.3° | 109.4° |
| C27 | C26 | C33 | 104.1° | 109.4° |
| C27 | C26 | H10 | 106.0° | 109.5° |
| C26 | C27 | H29 | 108.0° | 109.4° |
| C26 | C27 | H30 | 108.0° | 109.5° |
| C27 | C28 | C29 | 111.2° | 109.5° |
| C27 | C28 | H11 | 109.1° | 109.5° |
| C27 | C28 | H12 | 109.1° | 109.5° |
| C28 | C27 | H29 | 108.0° | 109.5° |
| C28 | C27 | H30 | 108.0° | 109.5° |
| C04 | N05 | C06 | 119.2° | 120.0° |
| C04 | N05 | H35 | 120.4° | 120.0° |
| C26 | C33 | C32 | 114.1° | 109.5° |
| C33 | C26 | H10 | 106.3° | 109.5° |
| C26 | C33 | H33 | 108.3° | 109.5° |
| C26 | C33 | H34 | 108.3° | 109.5° |
| N05 | C06 | C07 | 110.3° | 109.5° |
| N05 | C06 | H16 | 110.5° | 109.4° |
| C06 | N05 | H35 | 120.4° | 120.0° |
| C06 | C07 | C08 | 115.9° | 109.5° |
| C07 | C06 | H16 | 109.1° | 109.5° |
| C06 | C07 | H17 | 107.8° | 109.5° |
| C06 | C07 | H18 | 107.8° | 109.5° |
| C28 | C29 | C32 | 110.3° | 109.5° |
| C28 | C29 | F31 | 111.4° | 109.5° |
| C28 | C29 | F30 | 110.1° | 109.5° |
| C29 | C28 | H11 | 109.0° | 109.5° |
| C29 | C28 | H12 | 109.0° | 109.5° |
| C07 | C08 | C09 | 112.0° | 109.4° |
| C07 | C08 | C10 | 112.8° | 109.5° |
| C08 | C07 | H17 | 107.9° | 109.5° |
| C08 | C07 | H18 | 107.9° | 109.4° |
| C07 | C08 | H19 | 106.9° | 109.5° |
| C33 | C32 | C29 | 111.6° | 109.4° |
| C33 | C32 | H31 | 108.9° | 109.5° |
| C33 | C32 | H32 | 108.9° | 109.5° |
| C32 | C33 | H33 | 108.3° | 109.5° |
| C32 | C33 | H34 | 108.3° | 109.5° |
| C32 | C29 | F31 | 109.4° | 109.5° |
| C32 | C29 | F30 | 111.7° | 109.4° |
| C29 | C32 | H31 | 108.9° | 109.5° |
| C29 | C32 | H32 | 109.0° | 109.5° |
| F31 | C29 | F30 | 103.9° | 109.4° |
| C09 | C08 | C10 | 110.9° | 109.5° |
| C09 | C08 | H19 | 106.9° | 109.4° |
| C08 | C09 | H20 | 109.5° | 109.5° |
| C08 | C09 | H21 | 109.5° | 109.5° |
| C08 | C09 | H22 | 109.4° | 109.5° |
| C10 | C08 | H19 | 107.0° | 109.5° |
| C08 | C10 | H23 | 109.5° | 109.4° |
| C08 | C10 | H24 | 109.5° | 109.5° |
| C08 | C10 | H25 | 109.5° | 109.4° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H5 | C19 | H6 | 109.4° | 110.7° |
| H7 | C25 | H8 | 109.5° | 109.5° |
| H7 | C25 | H9 | 109.5° | 109.5° |
| H8 | C25 | H9 | 109.5° | 109.5° |
| H11 | C28 | H12 | 109.4° | 109.4° |
| H13 | C01 | H14 | 109.4° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.5° |
| H20 | C09 | H21 | 109.5° | 109.4° |
| H20 | C09 | H22 | 109.5° | 109.4° |
| H21 | C09 | H22 | 109.5° | 109.5° |
| H23 | C10 | H24 | 109.4° | 109.6° |
| H23 | C10 | H25 | 109.5° | 109.5° |
| H24 | C10 | H25 | 109.5° | 109.5° |
| S1 | C21 | H28 | 114.0° | 109.5° |
| C21 | S1 | O1 | 74.4° | 110.6° |
| C21 | S1 | O2 | 74.4° | 110.6° |
| C21 | S1 | O3 | 74.4° | 104.4° |
| H29 | C27 | H30 | 109.5° | 109.6° |
| H31 | C32 | H32 | 109.5° | 109.4° |
| H33 | C33 | H34 | 109.5° | 109.4° |
| O1 | S1 | O2 | 0.0° | 121.1° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H27 | 90.0° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C18 | C19 | H4 | 180.0° | 180.0° |
| C18 | N17 | C16 | O20 | 179.4° | 179.9° |
| C18 | N17 | C16 | C15 | 1.1° | 0.0° |
| N17 | C18 | C19 | C15 | 1.6° | 0.1° |
| N17 | C18 | C19 | H5 | 118.5° | 118.4° |
| N17 | C18 | C19 | H6 | 121.7° | 118.5° |
| C19 | C18 | N17 | C16 | 1.6° | 0.0° |
| C18 | C19 | C15 | C16 | 1.0° | 0.1° |
| C18 | C19 | C15 | H5 | 120.1° | 118.4° |
| C18 | C19 | C15 | H6 | 120.1° | 118.4° |
| C18 | C19 | C15 | C14 | 123.1° | 118.3° |
| C18 | C19 | C15 | H3 | 116.4° | 118.5° |
| C18 | C19 | H5 | H6 | 119.7° | 123.0° |
| N17 | C16 | O20 | C15 | 178.0° | 180.0° |
| N17 | C16 | C15 | C19 | 0.0° | 0.1° |
| N17 | C16 | C15 | C14 | 122.0° | 118.3° |
| N17 | C16 | C15 | H3 | 115.4° | 118.5° |
| C16 | N17 | C18 | H4 | 178.4° | 179.9° |
| O20 | C16 | C15 | C19 | 178.2° | 179.9° |
| O20 | C16 | C15 | C14 | 59.7° | 61.7° |
| O20 | C16 | C15 | H3 | 62.8° | 61.5° |
| C16 | C15 | C19 | C14 | 124.1° | 118.4° |
| C16 | C15 | C19 | H3 | 115.4° | 118.4° |
| C16 | C15 | C14 | H3 | 122.7° | 123.3° |
| C16 | C15 | C14 | C13 | 175.9° | 175.1° |
| C16 | C15 | C14 | H1 | 63.4° | 64.9° |
| C16 | C15 | C14 | H2 | 55.3° | 55.1° |
| C16 | C15 | C19 | H5 | 119.1° | 118.5° |
| C16 | C15 | C19 | H6 | 121.1° | 118.3° |
| C19 | C15 | C14 | H3 | 120.7° | 123.2° |
| C19 | C15 | C14 | C13 | 67.5° | 71.4° |
| C19 | C15 | C14 | H1 | 53.2° | 48.6° |
| C19 | C15 | C14 | H2 | 171.9° | 168.6° |
| C15 | C19 | C18 | H4 | 178.4° | 179.9° |
| C15 | C19 | H5 | H6 | 119.8° | 123.2° |
| O22 | C21 | C13 | C14 | 54.9° | 55.0° |
| O22 | C21 | C13 | S1 | 120.7° | 120.0° |
| O22 | C21 | C13 | H28 | 115.2° | 120.0° |
| O22 | C21 | C13 | N12 | 178.1° | 175.0° |
| O22 | C21 | C13 | H26 | 64.0° | 65.0° |
| O22 | C21 | S1 | H28 | 122.3° | 120.0° |
| O22 | C21 | S1 | O1 | 25.6° | 56.6° |
| O22 | C21 | S1 | O2 | 25.6° | 166.6° |
| O22 | C21 | S1 | O3 | 25.6° | 55.1° |
| C15 | C14 | C13 | H1 | 120.7° | 120.0° |
| C15 | C14 | C13 | H2 | 120.6° | 120.1° |
| C15 | C14 | C13 | C21 | 171.7° | 173.8° |
| C15 | C14 | C13 | N12 | 50.3° | 66.2° |
| C15 | C14 | H1 | H2 | 118.0° | 120.0° |
| C14 | C15 | C19 | H5 | 116.8° | 0.1° |
| C14 | C15 | C19 | H6 | 3.0° | 123.3° |
| C15 | C14 | C13 | H26 | 69.5° | 53.8° |
| C14 | C13 | C21 | N12 | 123.2° | 120.0° |
| C14 | C13 | C21 | H26 | 118.9° | 120.1° |
| C14 | C13 | N12 | H26 | 119.2° | 120.0° |
| C14 | C13 | N12 | C11 | 110.9° | 163.1° |
| C13 | C14 | H1 | H2 | 118.0° | 120.0° |
| C13 | C14 | C15 | H3 | 53.2° | 51.9° |
| C14 | C13 | C21 | S1 | 65.8° | 64.9° |
| C14 | C13 | C21 | H28 | 170.1° | 175.0° |
| C14 | C13 | N12 | H36 | 69.2° | 16.9° |
| C21 | C13 | N12 | H26 | 117.2° | 120.0° |
| C21 | C13 | N12 | C11 | 125.5° | 76.9° |
| C21 | C13 | C14 | H1 | 67.7° | 53.8° |
| C21 | C13 | C14 | H2 | 51.1° | 66.1° |
| C13 | C21 | S1 | H28 | 119.5° | 120.0° |
| C21 | C13 | N12 | H36 | 54.5° | 103.1° |
| C13 | C21 | O22 | H37 | 180.0° | 60.0° |
| C13 | C21 | S1 | O1 | 92.7° | 63.4° |
| C13 | C21 | S1 | O2 | 92.7° | 73.5° |
| C13 | C21 | S1 | O3 | 92.7° | 175.0° |
| C13 | N12 | C11 | O23 | 0.4° | 5.5° |
| C13 | N12 | C11 | H36 | 180.0° | 180.0° |
| C13 | N12 | C11 | C06 | 178.8° | 174.6° |
| N12 | C13 | C14 | H1 | 170.9° | 173.8° |
| N12 | C13 | C14 | H2 | 70.3° | 53.9° |
| N12 | C13 | C21 | S1 | 57.4° | 55.0° |
| N12 | C13 | C21 | H28 | 66.8° | 65.0° |
| C01 | C02 | C25 | O03 | 117.5° | 119.9° |
| C01 | C02 | C25 | C26 | 123.1° | 120.0° |
| C01 | C02 | O03 | C26 | 127.3° | 120.0° |
| C01 | C02 | O03 | C04 | 59.2° | 60.0° |
| C01 | C02 | C26 | C27 | 77.4° | 60.0° |
| C01 | C02 | C26 | C33 | 158.9° | 60.0° |
| C01 | C02 | C25 | H7 | 180.0° | 60.0° |
| C01 | C02 | C25 | H8 | 60.0° | 179.9° |
| C01 | C02 | C25 | H9 | 60.0° | 60.0° |
| C01 | C02 | C26 | H10 | 43.1° | 179.9° |
| C02 | C01 | H13 | H14 | 120.0° | 120.1° |
| C02 | C01 | H13 | H15 | 120.0° | 119.9° |
| C02 | C01 | H14 | H15 | 120.0° | 119.9° |
| O23 | C11 | N12 | C06 | 179.2° | 179.9° |
| O23 | C11 | C06 | N05 | 30.1° | 16.8° |
| O23 | C11 | C06 | C07 | 90.1° | 103.2° |
| O23 | C11 | C06 | H16 | 150.7° | 136.8° |
| O23 | C11 | N12 | H36 | 179.5° | 174.5° |
| N12 | C11 | C06 | N05 | 149.2° | 163.3° |
| N12 | C11 | C06 | C07 | 90.7° | 76.7° |
| N12 | C11 | C06 | H16 | 28.5° | 43.3° |
| C11 | N12 | C13 | H26 | 8.3° | 43.1° |
| C25 | C02 | O03 | C26 | 118.2° | 120.0° |
| C25 | C02 | O03 | C04 | 173.7° | 59.9° |
| C25 | C02 | C26 | C27 | 41.0° | 60.0° |
| C25 | C02 | C26 | C33 | 82.7° | 180.0° |
| C02 | C25 | H7 | H8 | 120.0° | 120.0° |
| C02 | C25 | H7 | H9 | 120.0° | 120.0° |
| C02 | C25 | H8 | H9 | 120.0° | 120.0° |
| C25 | C02 | C26 | H10 | 161.6° | 60.1° |
| C25 | C02 | C01 | H13 | 180.0° | 59.9° |
| C25 | C02 | C01 | H14 | 60.0° | 180.0° |
| C25 | C02 | C01 | H15 | 60.0° | 60.0° |
| C02 | O03 | C04 | O24 | 0.9° | 0.0° |
| O03 | C02 | C26 | C27 | 157.0° | 179.9° |
| C02 | O03 | C04 | N05 | 177.2° | 179.9° |
| O03 | C02 | C26 | C33 | 33.3° | 60.0° |
| O03 | C02 | C25 | H7 | 62.5° | 179.9° |
| O03 | C02 | C25 | H8 | 177.5° | 60.0° |
| O03 | C02 | C25 | H9 | 57.5° | 59.9° |
| O03 | C02 | C26 | H10 | 82.4° | 60.0° |
| O03 | C02 | C01 | H13 | 65.9° | 60.0° |
| O03 | C02 | C01 | H14 | 54.1° | 60.0° |
| O03 | C02 | C01 | H15 | 174.1° | 180.0° |
| C26 | C02 | O03 | C04 | 68.1° | 180.0° |
| C02 | C26 | C27 | C33 | 127.5° | 120.0° |
| C02 | C26 | C27 | H10 | 120.6° | 120.0° |
| C02 | C26 | C27 | C28 | 174.3° | 180.0° |
| C02 | C26 | C33 | H10 | 115.6° | 120.0° |
| C02 | C26 | C33 | C32 | 168.2° | 180.0° |
| C26 | C02 | C25 | H7 | 56.9° | 60.0° |
| C26 | C02 | C25 | H8 | 63.1° | 60.0° |
| C26 | C02 | C25 | H9 | 176.9° | 180.0° |
| C26 | C02 | C01 | H13 | 59.8° | 180.0° |
| C26 | C02 | C01 | H14 | 179.8° | 60.0° |
| C26 | C02 | C01 | H15 | 60.1° | 60.0° |
| C02 | C26 | C27 | H29 | 53.5° | 60.1° |
| C02 | C26 | C27 | H30 | 64.8° | 60.0° |
| C02 | C26 | C33 | H33 | 71.1° | 60.0° |
| C02 | C26 | C33 | H34 | 47.5° | 60.0° |
| C11 | C06 | N05 | C04 | 67.1° | 157.8° |
| C11 | C06 | N05 | C07 | 119.3° | 120.1° |
| C11 | C06 | N05 | H16 | 120.0° | 119.9° |
| C11 | C06 | C07 | H16 | 119.5° | 120.0° |
| C11 | C06 | C07 | C08 | 174.9° | 68.1° |
| C11 | C06 | C07 | H17 | 54.0° | 171.8° |
| C11 | C06 | C07 | H18 | 64.2° | 51.8° |
| C11 | C06 | N05 | H35 | 112.9° | 22.2° |
| C06 | C11 | N12 | H36 | 1.2° | 5.5° |
| O24 | C04 | O03 | N05 | 178.1° | 180.0° |
| O24 | C04 | N05 | C06 | 17.7° | 5.1° |
| O24 | C04 | N05 | H35 | 162.3° | 174.9° |
| O03 | C04 | N05 | C06 | 164.2° | 174.9° |
| O03 | C04 | N05 | H35 | 15.8° | 5.1° |
| C26 | C27 | C28 | H29 | 120.8° | 119.9° |
| C26 | C27 | C28 | H30 | 120.9° | 120.0° |
| C27 | C26 | C33 | H10 | 111.7° | 120.1° |
| C26 | C27 | C28 | C29 | 56.4° | 60.0° |
| C27 | C26 | C33 | C32 | 59.1° | 60.0° |
| C26 | C27 | C28 | H11 | 63.9° | 60.0° |
| C26 | C27 | C28 | H12 | 176.6° | 179.9° |
| C26 | C27 | H29 | H30 | 117.4° | 120.0° |
| C27 | C26 | C33 | H33 | 61.5° | 60.0° |
| C27 | C26 | C33 | H34 | 179.8° | 179.9° |
| C28 | C27 | C26 | C33 | 58.2° | 60.0° |
| C27 | C28 | C29 | H11 | 120.3° | 120.0° |
| C27 | C28 | C29 | H12 | 120.3° | 120.0° |
| C27 | C28 | C29 | C32 | 49.7° | 60.0° |
| C27 | C28 | C29 | F31 | 72.0° | 60.0° |
| C27 | C28 | C29 | F30 | 173.3° | 180.0° |
| C28 | C27 | C26 | H10 | 53.7° | 60.0° |
| C27 | C28 | H11 | H12 | 119.2° | 120.0° |
| C28 | C27 | H29 | H30 | 117.3° | 120.1° |
| C04 | N05 | C06 | H35 | 180.0° | 180.0° |
| C04 | N05 | C06 | C07 | 173.7° | 82.1° |
| C04 | N05 | C06 | H16 | 52.9° | 37.9° |
| C26 | C33 | C32 | H33 | 120.7° | 120.1° |
| C26 | C33 | C32 | H34 | 120.7° | 120.0° |
| C26 | C33 | C32 | C29 | 59.4° | 60.0° |
| C33 | C26 | C27 | H29 | 179.0° | 180.0° |
| C33 | C26 | C27 | H30 | 62.6° | 60.0° |
| C26 | C33 | C32 | H31 | 179.7° | 60.0° |
| C26 | C33 | C32 | H32 | 60.9° | 180.0° |
| C26 | C33 | H33 | H34 | 117.9° | 120.0° |
| N05 | C06 | C07 | H16 | 121.6° | 120.0° |
| N05 | C06 | C07 | C08 | 56.0° | 171.8° |
| N05 | C06 | C07 | H17 | 65.0° | 51.7° |
| N05 | C06 | C07 | H18 | 176.9° | 68.3° |
| C06 | C07 | C08 | H17 | 120.9° | 120.1° |
| C06 | C07 | C08 | H18 | 120.9° | 120.0° |
| C06 | C07 | C08 | C09 | 51.6° | 66.4° |
| C06 | C07 | C08 | C10 | 177.6° | 173.6° |
| C06 | C07 | H17 | H18 | 117.1° | 120.0° |
| C06 | C07 | C08 | H19 | 65.1° | 53.6° |
| C07 | C06 | N05 | H35 | 6.3° | 97.9° |
| C28 | C29 | C32 | C33 | 51.3° | 60.0° |
| C28 | C29 | C32 | F31 | 122.9° | 120.0° |
| C28 | C29 | C32 | F30 | 122.7° | 120.1° |
| C28 | C29 | F31 | F30 | 118.5° | 120.1° |
| C29 | C28 | H11 | H12 | 119.2° | 120.0° |
| C29 | C28 | C27 | H29 | 177.2° | 179.9° |
| C29 | C28 | C27 | H30 | 64.5° | 60.0° |
| C28 | C29 | C32 | H31 | 171.6° | 60.0° |
| C28 | C29 | C32 | H32 | 69.0° | 180.0° |
| C07 | C08 | C09 | C10 | 127.0° | 120.0° |
| C07 | C08 | C09 | H19 | 116.7° | 120.0° |
| C07 | C08 | C10 | H19 | 117.3° | 120.1° |
| C08 | C07 | C06 | H16 | 65.6° | 51.9° |
| C08 | C07 | H17 | H18 | 117.1° | 119.9° |
| C07 | C08 | C09 | H20 | 180.0° | 176.3° |
| C07 | C08 | C09 | H21 | 60.0° | 56.3° |
| C07 | C08 | C09 | H22 | 60.0° | 63.7° |
| C07 | C08 | C10 | H23 | 180.0° | 60.0° |
| C07 | C08 | C10 | H24 | 60.0° | 179.9° |
| C07 | C08 | C10 | H25 | 60.0° | 59.9° |
| C33 | C32 | C29 | H31 | 120.3° | 120.0° |
| C33 | C32 | C29 | H32 | 120.3° | 120.0° |
| C33 | C32 | C29 | F31 | 71.5° | 60.0° |
| C33 | C32 | C29 | F30 | 174.0° | 180.0° |
| C32 | C33 | C26 | H10 | 52.6° | 60.0° |
| C33 | C32 | H31 | H32 | 119.0° | 120.0° |
| C32 | C33 | H33 | H34 | 117.9° | 120.0° |
| C32 | C29 | F31 | F30 | 119.4° | 119.9° |
| C32 | C29 | C28 | H11 | 70.6° | 60.0° |
| C32 | C29 | C28 | H12 | 169.9° | 180.0° |
| C29 | C32 | H31 | H32 | 119.1° | 120.0° |
| C29 | C32 | C33 | H33 | 61.2° | 60.1° |
| C29 | C32 | C33 | H34 | 179.9° | 180.0° |
| F31 | C29 | C28 | H11 | 167.7° | 180.0° |
| F31 | C29 | C28 | H12 | 48.3° | 60.0° |
| F31 | C29 | C32 | H31 | 48.8° | 180.0° |
| F31 | C29 | C32 | H32 | 168.1° | 60.0° |
| F30 | C29 | C28 | H11 | 53.0° | 60.0° |
| F30 | C29 | C28 | H12 | 66.4° | 60.0° |
| F30 | C29 | C32 | H31 | 65.7° | 60.0° |
| F30 | C29 | C32 | H32 | 53.7° | 59.9° |
| C09 | C08 | C10 | H19 | 116.2° | 119.9° |
| C09 | C08 | C07 | H17 | 172.5° | 53.7° |
| C09 | C08 | C07 | H18 | 69.3° | 173.7° |
| C08 | C09 | H20 | H21 | 120.0° | 120.0° |
| C08 | C09 | H20 | H22 | 120.0° | 120.0° |
| C08 | C09 | H21 | H22 | 120.0° | 120.1° |
| C09 | C08 | C10 | H23 | 53.5° | 180.0° |
| C09 | C08 | C10 | H24 | 173.5° | 60.0° |
| C09 | C08 | C10 | H25 | 66.5° | 60.0° |
| C10 | C08 | C07 | H17 | 61.5° | 66.3° |
| C10 | C08 | C07 | H18 | 56.6° | 53.7° |
| C10 | C08 | C09 | H20 | 53.0° | 63.6° |
| C10 | C08 | C09 | H21 | 67.0° | 176.4° |
| C10 | C08 | C09 | H22 | 173.0° | 56.3° |
| C08 | C10 | H23 | H24 | 120.0° | 120.0° |
| C08 | C10 | H23 | H25 | 120.0° | 119.9° |
| C08 | C10 | H24 | H25 | 120.0° | 120.0° |
| H1 | C14 | C15 | H3 | 173.9° | 171.8° |
| H1 | C14 | C13 | H26 | 51.1° | 66.2° |
| H2 | C14 | C15 | H3 | 67.4° | 68.2° |
| H2 | C14 | C13 | H26 | 169.9° | 173.8° |
| H3 | C15 | C19 | H5 | 3.7° | 123.1° |
| H3 | C15 | C19 | H6 | 123.5° | 0.1° |
| H4 | C18 | C19 | H5 | 61.5° | 61.5° |
| H4 | C18 | C19 | H6 | 58.3° | 61.6° |
| H7 | C25 | H8 | H9 | 120.0° | 120.0° |
| H10 | C26 | C27 | H29 | 67.1° | 59.9° |
| H10 | C26 | C27 | H30 | 174.6° | 180.0° |
| H10 | C26 | C33 | H33 | 173.3° | 179.9° |
| H10 | C26 | C33 | H34 | 68.1° | 60.0° |
| H11 | C28 | C27 | H29 | 56.9° | 59.9° |
| H11 | C28 | C27 | H30 | 175.2° | 180.0° |
| H12 | C28 | C27 | H29 | 62.5° | 60.0° |
| H12 | C28 | C27 | H30 | 55.8° | 60.1° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H16 | C06 | C07 | H17 | 173.4° | 68.2° |
| H16 | C06 | C07 | H18 | 55.3° | 171.8° |
| H16 | C06 | N05 | H35 | 127.1° | 142.1° |
| H17 | C07 | C08 | H19 | 55.8° | 173.7° |
| H18 | C07 | C08 | H19 | 174.0° | 66.4° |
| H19 | C08 | C09 | H20 | 63.3° | 56.3° |
| H19 | C08 | C09 | H21 | 176.7° | 63.7° |
| H19 | C08 | C09 | H22 | 56.7° | 176.3° |
| H19 | C08 | C10 | H23 | 62.7° | 60.1° |
| H19 | C08 | C10 | H24 | 57.3° | 60.0° |
| H19 | C08 | C10 | H25 | 177.3° | 180.0° |
| H20 | C09 | H21 | H22 | 120.0° | 119.9° |
| H23 | C10 | H24 | H25 | 120.0° | 120.0° |
| H26 | C13 | C21 | S1 | 175.4° | 175.0° |
| H26 | C13 | C21 | H28 | 51.2° | 54.9° |
| H26 | C13 | N12 | H36 | 171.7° | 137.0° |
| S1 | C21 | O22 | H37 | 59.3° | 59.9° |
| C21 | S1 | O1 | O2 | 90.0° | 131.6° |
| C21 | S1 | O1 | O3 | 90.0° | 111.7° |
| C21 | S1 | O2 | O3 | 90.0° | 111.7° |
| C21 | S1 | O3 | H27 | 90.0° | 180.0° |
| H28 | C21 | O22 | H37 | 66.3° | 180.0° |
| H28 | C21 | S1 | O1 | 147.9° | 176.6° |
| H28 | C21 | S1 | O2 | 147.9° | 46.6° |
| H28 | C21 | S1 | O3 | 147.9° | 65.0° |
| H31 | C32 | C33 | H33 | 59.1° | 180.0° |
| H31 | C32 | C33 | H34 | 59.6° | 60.0° |
| H32 | C32 | C33 | H33 | 178.4° | 59.9° |
| H32 | C32 | C33 | H34 | 59.8° | 60.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H27 | 90.0° | 63.9° |
| O2 | S1 | O3 | H27 | 90.0° | 63.9° |
