Y5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C02 | N03 | sing | 1.34Å | 1.40Å | |
| C02 | C06 | sing | 1.51Å | 1.52Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| C21 | O20 | sing | 1.45Å | 1.45Å | |
| C21 | C22 | sing | 1.54Å | 1.61Å | |
| O31 | C19 | doub | 1.22Å | 1.22Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.55Å | 1.53Å | |
| O20 | C19 | sing | 1.35Å | 1.40Å | |
| C19 | N18 | sing | 1.35Å | 1.40Å | |
| C04 | C05 | sing | 1.54Å | 1.57Å | |
| C22 | C27 | sing | 1.52Å | 1.55Å | |
| C24 | C30 | sing | 1.52Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| N18 | C13 | sing | 1.47Å | 1.47Å | |
| N11 | C08 | sing | 1.47Å | 1.45Å | |
| N11 | C12 | sing | 1.35Å | 1.37Å | |
| C13 | C12 | sing | 1.51Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C29 | C28 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C15 | C17 | sing | 1.53Å | 1.55Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C12 | O32 | doub | 1.21Å | 1.24Å | |
| C09 | O10 | sing | 1.43Å | 1.41Å | |
| C26 | C28 | sing | 1.53Å | 1.55Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.11Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | S1 | sing | 1.81Å | 1.07Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C05 | H25 | sing | 1.09Å | 1.10Å | |
| C05 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.10Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.10Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.10Å | 1.10Å | |
| C30 | H37 | sing | 1.10Å | 1.10Å | |
| N03 | H38 | sing | 0.97Å | 1.00Å | |
| N11 | H39 | sing | 0.97Å | 1.00Å | |
| N18 | H40 | sing | 0.97Å | 1.00Å | |
| O10 | H41 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.08Å | |
| S1 | O2 | doub | 1.42Å | 34.08Å | |
| S1 | O3 | sing | 1.52Å | 34.08Å | |
| O3 | H18 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 121.6° | 125.0° |
| O01 | C02 | C06 | 124.9° | 124.9° |
| N03 | C02 | C06 | 113.5° | 110.1° |
| C02 | N03 | C04 | 109.6° | 111.3° |
| C02 | N03 | H38 | 125.2° | 124.3° |
| C02 | C06 | C07 | 114.8° | 110.5° |
| C02 | C06 | C05 | 100.8° | 104.2° |
| C02 | C06 | H20 | 110.7° | 110.6° |
| N03 | C04 | C05 | 104.0° | 105.5° |
| N03 | C04 | H21 | 110.8° | 110.2° |
| N03 | C04 | H22 | 110.8° | 110.3° |
| C04 | N03 | H38 | 125.2° | 124.3° |
| O20 | C21 | C22 | 117.5° | 109.5° |
| C21 | O20 | C19 | 119.9° | 117.0° |
| O20 | C21 | H8 | 107.4° | 109.5° |
| O20 | C21 | H9 | 107.4° | 109.4° |
| C21 | C22 | C23 | 111.7° | 109.0° |
| C21 | C22 | C27 | 110.8° | 109.2° |
| C22 | C21 | H8 | 107.4° | 109.5° |
| C22 | C21 | H9 | 107.4° | 109.5° |
| C21 | C22 | H27 | 107.5° | 107.9° |
| O31 | C19 | O20 | 119.1° | 120.0° |
| O31 | C19 | N18 | 120.5° | 120.0° |
| C22 | C23 | C24 | 114.4° | 111.1° |
| C23 | C22 | C27 | 110.3° | 112.9° |
| C22 | C23 | H10 | 108.2° | 109.3° |
| C22 | C23 | H11 | 108.2° | 109.3° |
| C23 | C22 | H27 | 108.2° | 108.7° |
| C23 | C24 | C30 | 111.9° | 112.2° |
| C23 | C24 | C25 | 111.5° | 109.5° |
| C24 | C23 | H10 | 108.2° | 109.4° |
| C24 | C23 | H11 | 108.2° | 109.4° |
| C23 | C24 | H12 | 108.1° | 107.5° |
| C07 | C06 | C05 | 109.6° | 110.5° |
| C06 | C07 | C08 | 113.1° | 109.5° |
| C07 | C06 | H20 | 110.1° | 110.5° |
| C06 | C07 | H23 | 108.6° | 109.5° |
| C06 | C07 | H24 | 108.6° | 109.5° |
| C06 | C05 | C04 | 107.3° | 101.8° |
| C05 | C06 | H20 | 110.6° | 110.5° |
| C06 | C05 | H25 | 110.0° | 111.0° |
| C06 | C05 | H26 | 110.0° | 111.0° |
| O20 | C19 | N18 | 120.4° | 120.0° |
| C19 | N18 | C13 | 122.9° | 120.0° |
| C19 | N18 | H40 | 118.6° | 120.0° |
| C05 | C04 | H21 | 110.8° | 110.3° |
| C05 | C04 | H22 | 110.8° | 110.3° |
| C04 | C05 | H25 | 110.0° | 111.0° |
| C04 | C05 | H26 | 110.0° | 111.0° |
| C22 | C27 | C26 | 114.0° | 111.6° |
| C27 | C22 | H27 | 108.1° | 109.0° |
| C22 | C27 | H30 | 108.3° | 110.2° |
| C22 | C27 | H31 | 108.3° | 108.8° |
| C30 | C24 | C25 | 108.8° | 112.0° |
| C24 | C30 | C29 | 114.6° | 112.4° |
| C30 | C24 | H12 | 108.2° | 107.9° |
| C24 | C30 | H36 | 108.2° | 109.5° |
| C24 | C30 | H37 | 108.2° | 109.4° |
| C24 | C25 | C26 | 110.0° | 108.1° |
| C25 | C24 | H12 | 108.3° | 107.4° |
| C24 | C25 | H28 | 109.3° | 109.6° |
| C24 | C25 | H29 | 109.3° | 110.1° |
| C16 | C15 | C14 | 112.2° | 109.5° |
| C16 | C15 | C17 | 110.7° | 109.5° |
| C16 | C15 | H7 | 107.2° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C30 | C29 | C28 | 116.5° | 110.3° |
| C30 | C29 | H34 | 107.7° | 109.1° |
| C30 | C29 | H35 | 107.7° | 110.0° |
| C29 | C30 | H36 | 108.2° | 109.0° |
| C29 | C30 | H37 | 108.2° | 108.9° |
| C07 | C08 | N11 | 112.0° | 109.4° |
| C07 | C08 | C09 | 109.5° | 109.5° |
| C07 | C08 | H19 | 107.2° | 109.5° |
| C08 | C07 | H23 | 108.5° | 109.5° |
| C08 | C07 | H24 | 108.6° | 109.5° |
| N18 | C13 | C12 | 111.1° | 109.4° |
| N18 | C13 | C14 | 110.6° | 109.5° |
| N18 | C13 | H4 | 109.2° | 109.4° |
| C13 | N18 | H40 | 118.5° | 120.0° |
| C08 | N11 | C12 | 123.9° | 120.0° |
| N11 | C08 | C09 | 112.5° | 109.5° |
| N11 | C08 | H19 | 108.3° | 109.5° |
| C08 | N11 | H39 | 118.0° | 120.1° |
| N11 | C12 | C13 | 122.6° | 120.0° |
| N11 | C12 | O32 | 119.0° | 120.0° |
| C12 | N11 | H39 | 118.1° | 119.9° |
| C12 | C13 | C14 | 109.8° | 109.5° |
| C13 | C12 | O32 | 118.4° | 120.0° |
| C12 | C13 | H4 | 108.1° | 109.5° |
| C13 | C14 | C15 | 113.9° | 109.5° |
| C14 | C13 | H4 | 107.9° | 109.5° |
| C13 | C14 | H5 | 108.4° | 109.5° |
| C13 | C14 | H6 | 108.4° | 109.5° |
| C29 | C28 | C26 | 115.3° | 108.9° |
| C29 | C28 | H32 | 108.0° | 109.7° |
| C29 | C28 | H33 | 108.0° | 109.7° |
| C28 | C29 | H34 | 107.7° | 108.8° |
| C28 | C29 | H35 | 107.7° | 110.3° |
| C27 | C26 | C25 | 111.9° | 110.2° |
| C27 | C26 | C28 | 112.0° | 108.7° |
| C27 | C26 | H13 | 108.0° | 110.1° |
| C26 | C27 | H30 | 108.3° | 110.1° |
| C26 | C27 | H31 | 108.3° | 108.4° |
| C14 | C15 | C17 | 112.2° | 109.5° |
| C15 | C14 | H5 | 108.3° | 109.5° |
| C15 | C14 | H6 | 108.4° | 109.5° |
| C14 | C15 | H7 | 107.1° | 109.5° |
| C15 | C17 | H1 | 109.5° | 109.5° |
| C15 | C17 | H2 | 109.5° | 109.5° |
| C15 | C17 | H3 | 109.5° | 109.5° |
| C17 | C15 | H7 | 107.1° | 109.4° |
| C08 | C09 | O10 | 109.2° | 109.5° |
| C08 | C09 | H17 | 106.6° | 109.5° |
| C08 | C09 | S1 | 109.4° | 109.5° |
| C09 | C08 | H19 | 107.2° | 109.5° |
| C25 | C26 | C28 | 108.2° | 108.5° |
| C25 | C26 | H13 | 108.4° | 109.8° |
| C26 | C25 | H28 | 109.3° | 109.5° |
| C26 | C25 | H29 | 109.4° | 109.8° |
| O10 | C09 | H17 | 108.0° | 109.4° |
| O10 | C09 | S1 | 109.4° | 109.5° |
| C09 | O10 | H41 | 109.5° | 114.0° |
| C28 | C26 | H13 | 108.2° | 109.6° |
| C26 | C28 | H32 | 108.0° | 109.4° |
| C26 | C28 | H33 | 108.0° | 109.4° |
| H1 | C17 | H2 | 109.4° | 109.5° |
| H1 | C17 | H3 | 109.5° | 109.4° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 108.4° |
| H14 | C16 | H15 | 109.4° | 109.5° |
| H14 | C16 | H16 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C09 | S1 | 114.1° | 109.4° |
| C09 | S1 | O1 | 138.7° | 110.5° |
| C09 | S1 | O2 | 138.7° | 110.5° |
| C09 | S1 | O3 | 138.7° | 104.4° |
| H21 | C04 | H22 | 109.5° | 110.3° |
| H23 | C07 | H24 | 109.5° | 109.5° |
| H25 | C05 | H26 | 109.5° | 110.9° |
| H28 | C25 | H29 | 109.5° | 109.7° |
| H30 | C27 | H31 | 109.5° | 107.5° |
| H32 | C28 | H33 | 109.5° | 109.7° |
| H34 | C29 | H35 | 109.5° | 108.4° |
| H36 | C30 | H37 | 109.5° | 107.7° |
| O1 | S1 | O2 | 0.0° | 121.1° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H18 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C06 | 179.6° | 180.0° |
| O01 | C02 | N03 | C04 | 180.0° | 179.6° |
| O01 | C02 | C06 | C07 | 48.9° | 45.1° |
| O01 | C02 | C06 | C05 | 166.5° | 163.8° |
| O01 | C02 | C06 | H20 | 76.4° | 77.5° |
| O01 | C02 | N03 | H38 | 0.0° | 0.4° |
| C02 | N03 | C04 | H38 | 180.0° | 180.0° |
| N03 | C02 | C06 | C07 | 130.6° | 134.9° |
| N03 | C02 | C06 | C05 | 13.0° | 16.3° |
| C02 | N03 | C04 | C05 | 13.5° | 17.0° |
| N03 | C02 | C06 | H20 | 104.0° | 102.4° |
| C02 | N03 | C04 | H21 | 105.6° | 136.0° |
| C02 | N03 | C04 | H22 | 132.6° | 102.0° |
| C06 | C02 | N03 | C04 | 0.5° | 0.4° |
| C02 | C06 | C07 | C05 | 112.5° | 114.8° |
| C02 | C06 | C07 | H20 | 125.7° | 122.7° |
| C02 | C06 | C05 | H20 | 117.1° | 118.8° |
| C02 | C06 | C05 | C04 | 20.5° | 24.8° |
| C02 | C06 | C07 | C08 | 177.2° | 179.6° |
| C02 | C06 | C07 | H23 | 62.3° | 60.4° |
| C02 | C06 | C07 | H24 | 56.6° | 59.6° |
| C02 | C06 | C05 | H25 | 99.2° | 93.3° |
| C02 | C06 | C05 | H26 | 140.1° | 142.9° |
| C06 | C02 | N03 | H38 | 179.5° | 179.6° |
| N03 | C04 | C05 | C06 | 21.7° | 25.4° |
| N03 | C04 | C05 | H21 | 119.1° | 119.0° |
| N03 | C04 | C05 | H22 | 119.1° | 119.0° |
| N03 | C04 | H21 | H22 | 122.5° | 122.0° |
| N03 | C04 | C05 | H25 | 98.0° | 92.7° |
| N03 | C04 | C05 | H26 | 141.4° | 143.5° |
| O20 | C21 | C22 | H8 | 121.2° | 120.0° |
| O20 | C21 | C22 | H9 | 121.2° | 120.0° |
| C21 | O20 | C19 | O31 | 16.9° | 0.1° |
| O20 | C21 | C22 | C23 | 175.9° | 175.0° |
| C21 | O20 | C19 | N18 | 162.2° | 180.0° |
| O20 | C21 | C22 | C27 | 52.4° | 61.3° |
| O20 | C21 | H8 | H9 | 116.4° | 120.0° |
| O20 | C21 | C22 | H27 | 65.5° | 57.1° |
| C21 | C22 | C23 | C27 | 123.7° | 121.5° |
| C21 | C22 | C23 | H27 | 118.2° | 117.4° |
| C21 | C22 | C23 | C24 | 171.6° | 165.7° |
| C22 | C21 | O20 | C19 | 81.2° | 180.0° |
| C21 | C22 | C27 | H27 | 117.6° | 117.7° |
| C21 | C22 | C27 | C26 | 171.8° | 177.4° |
| C22 | C21 | H8 | H9 | 116.3° | 120.0° |
| C21 | C22 | C23 | H10 | 50.9° | 73.5° |
| C21 | C22 | C23 | H11 | 67.6° | 45.0° |
| C21 | C22 | C27 | H30 | 67.5° | 54.8° |
| C21 | C22 | C27 | H31 | 51.1° | 62.9° |
| O31 | C19 | O20 | N18 | 179.1° | 179.9° |
| O31 | C19 | N18 | C13 | 7.3° | 5.1° |
| O31 | C19 | N18 | H40 | 172.7° | 174.9° |
| C22 | C23 | C24 | H10 | 120.7° | 120.7° |
| C22 | C23 | C24 | H11 | 120.7° | 120.7° |
| C23 | C22 | C27 | H27 | 118.1° | 120.9° |
| C22 | C23 | C24 | C30 | 118.5° | 108.8° |
| C22 | C23 | C24 | C25 | 3.5° | 16.3° |
| C23 | C22 | C27 | C26 | 47.5° | 56.1° |
| C23 | C22 | C21 | H8 | 54.8° | 55.0° |
| C23 | C22 | C21 | H9 | 62.9° | 65.0° |
| C22 | C23 | H10 | H11 | 117.8° | 119.0° |
| C22 | C23 | C24 | H12 | 122.5° | 132.7° |
| C23 | C22 | C27 | H30 | 168.2° | 66.6° |
| C23 | C22 | C27 | H31 | 73.1° | 175.7° |
| C24 | C23 | C22 | C27 | 47.9° | 44.2° |
| C23 | C24 | C30 | C25 | 123.6° | 123.7° |
| C23 | C24 | C30 | H12 | 118.9° | 118.3° |
| C23 | C24 | C25 | H12 | 118.8° | 116.5° |
| C23 | C24 | C30 | C29 | 75.4° | 70.9° |
| C23 | C24 | C25 | C26 | 56.9° | 67.8° |
| C24 | C23 | H10 | H11 | 117.7° | 119.2° |
| C24 | C23 | C22 | H27 | 70.2° | 76.9° |
| C23 | C24 | C25 | H28 | 177.0° | 172.9° |
| C23 | C24 | C25 | H29 | 63.2° | 52.1° |
| C23 | C24 | C30 | H36 | 45.3° | 50.4° |
| C23 | C24 | C30 | H37 | 163.8° | 168.1° |
| C07 | C06 | C05 | H20 | 121.5° | 122.5° |
| C07 | C06 | C05 | C04 | 141.8° | 143.5° |
| C06 | C07 | C08 | H23 | 120.6° | 120.0° |
| C06 | C07 | C08 | H24 | 120.6° | 120.0° |
| C06 | C07 | C08 | N11 | 56.9° | 61.4° |
| C06 | C07 | C08 | C09 | 177.6° | 178.7° |
| C06 | C07 | C08 | H19 | 61.7° | 58.6° |
| C06 | C07 | H23 | H24 | 118.4° | 120.0° |
| C07 | C06 | C05 | H25 | 22.2° | 25.4° |
| C07 | C06 | C05 | H26 | 98.5° | 98.4° |
| C06 | C05 | C04 | H25 | 119.7° | 118.1° |
| C06 | C05 | C04 | H26 | 119.7° | 118.1° |
| C05 | C06 | C07 | C08 | 70.3° | 64.8° |
| C06 | C05 | C04 | H21 | 97.5° | 144.4° |
| C06 | C05 | C04 | H22 | 140.8° | 93.6° |
| C05 | C06 | C07 | H23 | 50.2° | 175.2° |
| C05 | C06 | C07 | H24 | 169.1° | 55.2° |
| C06 | C05 | H25 | H26 | 121.0° | 123.8° |
| O20 | C19 | N18 | C13 | 171.8° | 175.0° |
| C19 | O20 | C21 | H8 | 157.7° | 60.0° |
| C19 | O20 | C21 | H9 | 40.0° | 60.0° |
| O20 | C19 | N18 | H40 | 8.2° | 5.0° |
| C19 | N18 | C13 | H40 | 180.0° | 180.0° |
| C19 | N18 | C13 | C12 | 60.0° | 151.6° |
| C19 | N18 | C13 | C14 | 177.8° | 88.4° |
| C19 | N18 | C13 | H4 | 59.2° | 31.6° |
| C04 | C05 | C06 | H20 | 96.6° | 94.0° |
| C05 | C04 | H21 | H22 | 122.5° | 122.0° |
| C04 | C05 | H25 | H26 | 121.0° | 123.9° |
| C05 | C04 | N03 | H38 | 166.5° | 163.0° |
| C22 | C27 | C26 | H30 | 120.6° | 122.7° |
| C22 | C27 | C26 | H31 | 120.6° | 119.9° |
| C22 | C27 | C26 | C25 | 4.1° | 4.3° |
| C22 | C27 | C26 | C28 | 117.6° | 123.1° |
| C27 | C22 | C21 | H8 | 68.7° | 178.7° |
| C27 | C22 | C21 | H9 | 173.6° | 58.7° |
| C27 | C22 | C23 | H10 | 72.8° | 165.0° |
| C27 | C22 | C23 | H11 | 168.6° | 76.6° |
| C22 | C27 | C26 | H13 | 123.3° | 116.9° |
| C22 | C27 | H30 | H31 | 117.9° | 118.5° |
| C30 | C24 | C25 | H12 | 117.4° | 118.4° |
| C24 | C30 | C29 | H36 | 120.7° | 121.5° |
| C24 | C30 | C29 | H37 | 120.8° | 121.3° |
| C24 | C30 | C29 | C28 | 32.1° | 52.8° |
| C30 | C24 | C25 | C26 | 66.9° | 57.4° |
| C30 | C24 | C23 | H10 | 2.2° | 130.6° |
| C30 | C24 | C23 | H11 | 120.7° | 12.0° |
| C30 | C24 | C25 | H28 | 53.1° | 61.9° |
| C30 | C24 | C25 | H29 | 173.0° | 177.3° |
| C24 | C30 | C29 | H34 | 88.9° | 172.3° |
| C24 | C30 | C29 | H35 | 153.1° | 69.0° |
| C24 | C30 | H36 | H37 | 117.7° | 118.8° |
| C25 | C24 | C30 | C29 | 48.2° | 52.9° |
| C24 | C25 | C26 | C27 | 57.3° | 55.8° |
| C24 | C25 | C26 | H28 | 120.1° | 119.3° |
| C24 | C25 | C26 | H29 | 120.1° | 120.1° |
| C24 | C25 | C26 | C28 | 66.5° | 63.1° |
| C25 | C24 | C23 | H10 | 124.3° | 104.4° |
| C25 | C24 | C23 | H11 | 117.2° | 137.0° |
| C24 | C25 | C26 | H13 | 176.4° | 177.2° |
| C24 | C25 | H28 | H29 | 119.7° | 121.0° |
| C25 | C24 | C30 | H36 | 168.9° | 174.1° |
| C25 | C24 | C30 | H37 | 72.6° | 68.1° |
| C16 | C15 | C14 | C13 | 50.5° | 66.0° |
| C16 | C15 | C14 | C17 | 125.3° | 120.0° |
| C16 | C15 | C14 | H7 | 117.4° | 120.0° |
| C16 | C15 | C17 | H7 | 116.6° | 120.0° |
| C16 | C15 | C17 | H1 | 180.0° | 180.0° |
| C16 | C15 | C17 | H2 | 60.0° | 60.0° |
| C16 | C15 | C17 | H3 | 60.0° | 60.0° |
| C16 | C15 | C14 | H5 | 171.1° | 54.0° |
| C16 | C15 | C14 | H6 | 70.2° | 173.9° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C30 | C29 | C28 | H34 | 121.0° | 119.6° |
| C30 | C29 | C28 | H35 | 121.0° | 121.7° |
| C30 | C29 | C28 | C26 | 32.3° | 58.5° |
| C29 | C30 | C24 | H12 | 165.7° | 170.9° |
| C30 | C29 | C28 | H32 | 153.2° | 61.1° |
| C30 | C29 | C28 | H33 | 88.5° | 178.3° |
| C30 | C29 | H34 | H35 | 116.8° | 119.7° |
| C29 | C30 | H36 | H37 | 117.7° | 118.0° |
| C07 | C08 | N11 | C09 | 123.8° | 120.0° |
| C07 | C08 | N11 | H19 | 117.9° | 120.0° |
| C07 | C08 | N11 | C12 | 131.8° | 150.7° |
| C07 | C08 | C09 | H19 | 115.9° | 120.0° |
| C07 | C08 | C09 | O10 | 55.3° | 174.8° |
| C07 | C08 | C09 | H17 | 171.8° | 54.8° |
| C07 | C08 | C09 | S1 | 64.4° | 65.2° |
| C08 | C07 | C06 | H20 | 51.5° | 57.7° |
| C08 | C07 | H23 | H24 | 118.3° | 120.0° |
| C07 | C08 | N11 | H39 | 48.2° | 29.3° |
| N18 | C13 | C12 | N11 | 119.5° | 160.4° |
| N18 | C13 | C12 | C14 | 122.7° | 120.0° |
| N18 | C13 | C12 | H4 | 119.8° | 119.9° |
| N18 | C13 | C14 | H4 | 119.4° | 120.0° |
| N18 | C13 | C14 | C15 | 65.3° | 172.7° |
| N18 | C13 | C12 | O32 | 58.7° | 19.7° |
| N18 | C13 | C14 | H5 | 55.3° | 52.7° |
| N18 | C13 | C14 | H6 | 174.0° | 67.2° |
| C08 | N11 | C12 | H39 | 180.0° | 180.0° |
| C08 | N11 | C12 | C13 | 179.0° | 174.8° |
| N11 | C08 | C09 | H19 | 118.9° | 120.0° |
| C08 | N11 | C12 | O32 | 0.8° | 5.2° |
| N11 | C08 | C09 | O10 | 179.6° | 54.9° |
| N11 | C08 | C09 | H17 | 63.1° | 65.1° |
| N11 | C08 | C09 | S1 | 60.8° | 174.9° |
| N11 | C08 | C07 | H23 | 177.5° | 58.6° |
| N11 | C08 | C07 | H24 | 63.7° | 178.6° |
| N11 | C12 | C13 | O32 | 178.2° | 180.0° |
| N11 | C12 | C13 | C14 | 117.8° | 79.7° |
| C12 | N11 | C08 | C09 | 104.4° | 89.3° |
| N11 | C12 | C13 | H4 | 0.3° | 40.4° |
| C12 | N11 | C08 | H19 | 13.9° | 30.7° |
| C12 | C13 | C14 | H4 | 117.6° | 120.1° |
| C12 | C13 | C14 | C15 | 171.6° | 67.3° |
| C12 | C13 | C14 | H5 | 67.7° | 172.7° |
| C12 | C13 | C14 | H6 | 51.0° | 52.7° |
| C13 | C12 | N11 | H39 | 1.0° | 5.2° |
| C12 | C13 | N18 | H40 | 120.0° | 28.3° |
| C13 | C14 | C15 | H5 | 120.7° | 120.0° |
| C13 | C14 | C15 | H6 | 120.7° | 120.0° |
| C13 | C14 | C15 | C17 | 175.8° | 173.9° |
| C14 | C13 | C12 | O32 | 64.0° | 100.3° |
| C13 | C14 | H5 | H6 | 118.0° | 120.0° |
| C13 | C14 | C15 | H7 | 66.9° | 54.0° |
| C14 | C13 | N18 | H40 | 2.2° | 91.7° |
| C29 | C28 | C26 | C27 | 75.7° | 55.3° |
| C29 | C28 | C26 | C25 | 48.1° | 64.5° |
| C29 | C28 | C26 | H32 | 120.9° | 119.8° |
| C29 | C28 | C26 | H33 | 120.8° | 119.9° |
| C29 | C28 | C26 | H13 | 165.4° | 175.6° |
| C29 | C28 | H32 | H33 | 117.3° | 120.6° |
| C28 | C29 | H34 | H35 | 116.8° | 119.9° |
| C28 | C29 | C30 | H36 | 152.9° | 174.3° |
| C28 | C29 | C30 | H37 | 88.6° | 68.4° |
| C27 | C26 | C25 | C28 | 123.9° | 118.9° |
| C27 | C26 | C25 | H13 | 119.0° | 121.4° |
| C27 | C26 | C28 | H13 | 118.9° | 120.3° |
| C26 | C27 | C22 | H27 | 70.6° | 64.9° |
| C27 | C26 | C25 | H28 | 177.4° | 175.1° |
| C27 | C26 | C25 | H29 | 62.7° | 64.3° |
| C26 | C27 | H30 | H31 | 118.0° | 117.9° |
| C27 | C26 | C28 | H32 | 45.2° | 175.1° |
| C27 | C26 | C28 | H33 | 163.5° | 64.7° |
| C14 | C15 | C17 | H7 | 117.3° | 120.0° |
| C14 | C15 | C17 | H1 | 53.8° | 59.9° |
| C14 | C15 | C17 | H2 | 66.1° | 180.0° |
| C14 | C15 | C17 | H3 | 173.9° | 60.0° |
| C15 | C14 | C13 | H4 | 54.1° | 52.8° |
| C15 | C14 | H5 | H6 | 118.0° | 120.0° |
| C14 | C15 | C16 | H14 | 180.0° | 63.5° |
| C14 | C15 | C16 | H15 | 60.0° | 176.4° |
| C14 | C15 | C16 | H16 | 60.0° | 56.4° |
| C15 | C17 | H1 | H2 | 120.0° | 120.0° |
| C15 | C17 | H1 | H3 | 120.0° | 120.0° |
| C15 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C15 | C14 | H5 | 63.5° | 66.0° |
| C17 | C15 | C14 | H6 | 55.2° | 53.9° |
| C17 | C15 | C16 | H14 | 53.8° | 56.5° |
| C17 | C15 | C16 | H15 | 66.2° | 63.5° |
| C17 | C15 | C16 | H16 | 173.8° | 176.5° |
| C08 | C09 | O10 | H17 | 115.6° | 120.1° |
| C08 | C09 | O10 | S1 | 119.7° | 120.0° |
| C08 | C09 | H17 | S1 | 120.9° | 120.0° |
| C09 | C08 | C07 | H23 | 57.1° | 61.3° |
| C09 | C08 | C07 | H24 | 61.8° | 58.7° |
| C09 | C08 | N11 | H39 | 75.6° | 90.6° |
| C08 | C09 | O10 | H41 | 180.0° | 60.0° |
| C08 | C09 | S1 | O1 | 73.7° | 177.8° |
| C08 | C09 | S1 | O2 | 73.7° | 45.5° |
| C08 | C09 | S1 | O3 | 73.7° | 66.2° |
| C25 | C26 | C28 | H13 | 117.2° | 119.9° |
| C26 | C25 | C24 | H12 | 175.7° | 175.7° |
| C26 | C25 | H28 | H29 | 119.8° | 120.6° |
| C25 | C26 | C27 | H30 | 116.6° | 118.4° |
| C25 | C26 | C27 | H31 | 124.7° | 124.2° |
| C25 | C26 | C28 | H32 | 169.0° | 55.3° |
| C25 | C26 | C28 | H33 | 72.7° | 175.5° |
| O32 | C12 | C13 | H4 | 178.5° | 139.6° |
| O32 | C12 | N11 | H39 | 179.2° | 174.8° |
| O10 | C09 | H17 | S1 | 121.9° | 120.0° |
| O10 | C09 | C08 | H19 | 60.7° | 65.1° |
| O10 | C09 | S1 | O1 | 45.9° | 62.2° |
| O10 | C09 | S1 | O2 | 45.9° | 74.6° |
| O10 | C09 | S1 | O3 | 45.9° | 173.8° |
| C28 | C26 | C25 | H28 | 53.6° | 56.3° |
| C28 | C26 | C25 | H29 | 173.4° | 176.8° |
| C28 | C26 | C27 | H30 | 121.7° | 0.4° |
| C28 | C26 | C27 | H31 | 3.0° | 117.0° |
| C26 | C28 | H32 | H33 | 117.3° | 120.0° |
| C26 | C28 | C29 | H34 | 88.7° | 178.1° |
| C26 | C28 | C29 | H35 | 153.4° | 63.1° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H1 | C17 | C15 | H7 | 63.4° | 60.0° |
| H2 | C17 | C15 | H7 | 176.6° | 60.0° |
| H3 | C17 | C15 | H7 | 56.6° | 180.0° |
| H4 | C13 | C14 | H5 | 174.7° | 67.2° |
| H4 | C13 | C14 | H6 | 66.6° | 172.8° |
| H4 | C13 | N18 | H40 | 120.8° | 148.3° |
| H5 | C14 | C15 | H7 | 53.8° | 174.0° |
| H6 | C14 | C15 | H7 | 172.4° | 66.0° |
| H7 | C15 | C16 | H14 | 62.7° | 176.5° |
| H7 | C15 | C16 | H15 | 177.3° | 56.4° |
| H7 | C15 | C16 | H16 | 57.3° | 63.6° |
| H8 | C21 | C22 | H27 | 173.3° | 62.9° |
| H9 | C21 | C22 | H27 | 55.6° | 177.1° |
| H10 | C23 | C24 | H12 | 116.8° | 12.0° |
| H10 | C23 | C22 | H27 | 169.1° | 43.9° |
| H11 | C23 | C24 | H12 | 1.8° | 106.6° |
| H11 | C23 | C22 | H27 | 50.5° | 162.3° |
| H12 | C24 | C25 | H28 | 64.3° | 56.4° |
| H12 | C24 | C25 | H29 | 55.6° | 64.3° |
| H12 | C24 | C30 | H36 | 73.6° | 67.9° |
| H12 | C24 | C30 | H37 | 44.9° | 49.9° |
| H13 | C26 | C25 | H28 | 63.6° | 63.5° |
| H13 | C26 | C25 | H29 | 56.3° | 57.1° |
| H13 | C26 | C27 | H30 | 2.7° | 120.4° |
| H13 | C26 | C27 | H31 | 116.0° | 3.0° |
| H13 | C26 | C28 | H32 | 73.8° | 64.6° |
| H13 | C26 | C28 | H33 | 44.5° | 55.7° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H17 | C09 | C08 | H19 | 55.8° | 174.8° |
| H17 | C09 | O10 | H41 | 64.4° | 60.1° |
| H17 | C09 | S1 | O1 | 167.0° | 57.8° |
| H17 | C09 | S1 | O2 | 167.0° | 165.5° |
| H17 | C09 | S1 | O3 | 167.0° | 53.9° |
| S1 | C09 | C08 | H19 | 179.7° | 54.9° |
| S1 | C09 | O10 | H41 | 60.4° | 180.0° |
| C09 | S1 | O1 | O2 | 90.0° | 131.5° |
| C09 | S1 | O1 | O3 | 90.0° | 111.7° |
| C09 | S1 | O2 | O3 | 90.0° | 111.7° |
| C09 | S1 | O3 | H18 | 90.0° | 180.0° |
| H19 | C08 | C07 | H23 | 58.9° | 178.6° |
| H19 | C08 | C07 | H24 | 177.8° | 61.4° |
| H19 | C08 | N11 | H39 | 166.1° | 149.3° |
| H20 | C06 | C07 | H23 | 172.0° | 62.3° |
| H20 | C06 | C07 | H24 | 69.1° | 177.7° |
| H20 | C06 | C05 | H25 | 143.7° | 147.9° |
| H20 | C06 | C05 | H26 | 23.0° | 24.1° |
| H21 | C04 | C05 | H25 | 142.9° | 26.3° |
| H21 | C04 | C05 | H26 | 22.2° | 97.5° |
| H21 | C04 | N03 | H38 | 74.4° | 44.0° |
| H22 | C04 | C05 | H25 | 21.1° | 148.3° |
| H22 | C04 | C05 | H26 | 99.5° | 24.5° |
| H22 | C04 | N03 | H38 | 47.4° | 78.0° |
| H27 | C22 | C27 | H30 | 50.1° | 172.5° |
| H27 | C22 | C27 | H31 | 168.7° | 54.8° |
| H32 | C28 | C29 | H34 | 32.2° | 58.5° |
| H32 | C28 | C29 | H35 | 85.8° | 177.2° |
| H33 | C28 | C29 | H34 | 150.5° | 62.1° |
| H33 | C28 | C29 | H35 | 32.5° | 56.6° |
| H34 | C29 | C30 | H36 | 31.9° | 66.2° |
| H34 | C29 | C30 | H37 | 150.4° | 51.0° |
| H35 | C29 | C30 | H36 | 86.1° | 52.5° |
| H35 | C29 | C30 | H37 | 32.4° | 169.7° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H18 | 90.0° | 63.9° |
| O2 | S1 | O3 | H18 | 90.0° | 64.0° |
