Y4D
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 | 1.53Å | 1.60Å | |
| O31 | C19 | doub | 1.21Å | 1.22Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| O20 | C19 | sing | 1.35Å | 1.39Å | |
| C19 | N18 | sing | 1.35Å | 1.39Å | |
| C06 | C07 | sing | 1.53Å | 1.57Å | |
| C06 | C05 | sing | 1.55Å | 1.53Å | |
| C04 | C05 | sing | 1.54Å | 1.57Å | |
| C22 | C27 | sing | 1.53Å | 1.55Å | |
| C24 | C30 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| N18 | C13 | sing | 1.47Å | 1.46Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.51Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C29 | C28 | sing | 1.53Å | 1.56Å | |
| N11 | C12 | sing | 1.35Å | 1.39Å | |
| N11 | C08 | sing | 1.47Å | 1.46Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| C12 | O32 | doub | 1.21Å | 1.24Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.55Å | |
| C09 | O10 | sing | 1.43Å | 1.41Å | |
| N11 | H1 | sing | 0.97Å | 1.00Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C06 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | S1 | sing | 1.81Å | 1.07Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| N03 | H39 | sing | 0.97Å | 1.00Å | |
| N18 | H40 | sing | 0.97Å | 1.00Å | |
| O10 | H41 | sing | 0.97Å | 0.95Å | |
| S1 | O2 | doub | 1.42Å | 34.03Å | |
| S1 | O1 | doub | 1.42Å | 34.03Å | |
| S1 | O3 | sing | 1.52Å | 34.03Å | |
| O3 | H45 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 121.4° | 125.0° |
| O01 | C02 | C06 | 124.9° | 124.9° |
| N03 | C02 | C06 | 113.7° | 110.1° |
| C02 | N03 | C04 | 110.0° | 111.3° |
| C02 | N03 | H39 | 125.0° | 124.3° |
| C02 | C06 | C07 | 114.7° | 110.4° |
| C02 | C06 | C05 | 101.4° | 104.2° |
| C02 | C06 | H24 | 110.5° | 110.5° |
| N03 | C04 | C05 | 104.7° | 105.5° |
| N03 | C04 | H20 | 110.6° | 110.3° |
| N03 | C04 | H21 | 110.6° | 110.3° |
| C04 | N03 | H39 | 125.0° | 124.4° |
| O20 | C21 | C22 | 117.4° | 109.5° |
| C21 | O20 | C19 | 119.6° | 116.9° |
| O20 | C21 | H34 | 107.4° | 109.4° |
| O20 | C21 | H35 | 107.5° | 109.5° |
| C21 | C22 | C23 | 111.4° | 109.3° |
| C21 | C22 | C27 | 110.4° | 109.2° |
| C22 | C21 | H34 | 107.4° | 109.4° |
| C22 | C21 | H35 | 107.4° | 109.5° |
| C21 | C22 | H36 | 107.6° | 109.0° |
| O31 | C19 | O20 | 119.1° | 120.0° |
| O31 | C19 | N18 | 120.4° | 120.0° |
| C22 | C23 | C24 | 114.4° | 110.1° |
| C23 | C22 | C27 | 110.8° | 110.0° |
| C22 | C23 | H8 | 108.2° | 109.2° |
| C22 | C23 | H9 | 108.2° | 109.6° |
| C23 | C22 | H36 | 108.2° | 109.7° |
| C23 | C24 | C30 | 111.9° | 109.7° |
| C23 | C24 | C25 | 111.6° | 109.9° |
| C24 | C23 | H8 | 108.2° | 109.2° |
| C24 | C23 | H9 | 108.2° | 109.8° |
| C23 | C24 | H10 | 107.9° | 109.4° |
| O20 | C19 | N18 | 120.5° | 119.9° |
| C19 | N18 | C13 | 121.8° | 120.0° |
| C19 | N18 | H40 | 119.1° | 120.1° |
| C07 | C06 | C05 | 109.6° | 110.5° |
| C06 | C07 | C08 | 114.3° | 109.5° |
| C07 | C06 | H24 | 109.9° | 110.4° |
| C06 | C07 | H25 | 108.3° | 109.5° |
| C06 | C07 | H26 | 108.2° | 109.5° |
| C06 | C05 | C04 | 108.1° | 101.8° |
| C06 | C05 | H22 | 109.8° | 110.9° |
| C06 | C05 | H23 | 109.8° | 111.0° |
| C05 | C06 | H24 | 110.5° | 110.6° |
| C05 | C04 | H20 | 110.6° | 110.2° |
| C05 | C04 | H21 | 110.7° | 110.2° |
| C04 | C05 | H22 | 109.8° | 111.0° |
| C04 | C05 | H23 | 109.8° | 111.0° |
| C22 | C27 | C26 | 114.1° | 110.1° |
| C22 | C27 | H14 | 108.3° | 109.6° |
| C22 | C27 | H15 | 108.3° | 109.3° |
| C27 | C22 | H36 | 108.2° | 109.7° |
| C30 | C24 | C25 | 108.9° | 109.4° |
| C24 | C30 | C29 | 114.6° | 110.0° |
| C30 | C24 | H10 | 108.1° | 109.2° |
| C24 | C30 | H37 | 108.2° | 109.3° |
| C24 | C30 | H38 | 108.2° | 109.3° |
| C24 | C25 | C26 | 110.0° | 109.2° |
| C25 | C24 | H10 | 108.3° | 109.3° |
| C24 | C25 | H11 | 109.4° | 109.2° |
| C24 | C25 | H12 | 109.3° | 109.9° |
| C30 | C29 | C28 | 116.4° | 110.0° |
| C30 | C29 | H18 | 107.7° | 109.2° |
| C30 | C29 | H19 | 107.7° | 109.8° |
| C29 | C30 | H37 | 108.2° | 109.5° |
| C29 | C30 | H38 | 108.2° | 109.5° |
| C16 | C15 | C14 | 111.5° | 109.4° |
| C16 | C15 | C17 | 111.4° | 109.5° |
| C16 | C15 | H4 | 107.3° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.5° |
| C15 | C16 | H6 | 109.5° | 109.5° |
| C15 | C16 | H7 | 109.4° | 109.5° |
| N18 | C13 | C12 | 111.3° | 109.5° |
| N18 | C13 | C14 | 111.0° | 109.5° |
| N18 | C13 | H30 | 109.6° | 109.5° |
| C13 | N18 | H40 | 119.1° | 119.9° |
| C07 | C08 | N11 | 113.2° | 109.5° |
| C07 | C08 | C09 | 108.4° | 109.5° |
| C08 | C07 | H25 | 108.2° | 109.5° |
| C08 | C07 | H26 | 108.2° | 109.5° |
| C07 | C08 | H27 | 107.4° | 109.5° |
| C12 | C13 | C14 | 108.5° | 109.4° |
| C13 | C12 | N11 | 121.8° | 120.0° |
| C13 | C12 | O32 | 117.2° | 120.0° |
| C12 | C13 | H30 | 108.3° | 109.5° |
| C13 | C14 | C15 | 113.6° | 109.5° |
| C13 | C14 | H2 | 108.4° | 109.5° |
| C13 | C14 | H3 | 108.4° | 109.5° |
| C14 | C13 | H30 | 108.0° | 109.5° |
| C29 | C28 | C26 | 115.3° | 109.9° |
| C29 | C28 | H16 | 108.0° | 109.5° |
| C29 | C28 | H17 | 108.0° | 109.4° |
| C28 | C29 | H18 | 107.7° | 109.2° |
| C28 | C29 | H19 | 107.7° | 109.8° |
| C12 | N11 | C08 | 126.7° | 120.0° |
| N11 | C12 | O32 | 121.0° | 120.0° |
| C12 | N11 | H1 | 116.7° | 120.0° |
| N11 | C08 | C09 | 111.5° | 109.5° |
| C08 | N11 | H1 | 116.7° | 120.0° |
| N11 | C08 | H27 | 108.5° | 109.4° |
| C27 | C26 | C25 | 112.0° | 109.9° |
| C27 | C26 | C28 | 111.9° | 109.8° |
| C27 | C26 | H13 | 108.1° | 109.3° |
| C26 | C27 | H14 | 108.3° | 109.7° |
| C26 | C27 | H15 | 108.3° | 109.2° |
| C14 | C15 | C17 | 112.0° | 109.5° |
| C15 | C14 | H2 | 108.4° | 109.4° |
| C15 | C14 | H3 | 108.4° | 109.5° |
| C14 | C15 | H4 | 107.2° | 109.4° |
| C17 | C15 | H4 | 107.1° | 109.5° |
| C15 | C17 | H31 | 109.5° | 109.5° |
| C15 | C17 | H32 | 109.5° | 109.4° |
| C15 | C17 | H33 | 109.5° | 109.4° |
| C25 | C26 | C28 | 108.2° | 109.4° |
| C26 | C25 | H11 | 109.3° | 109.2° |
| C26 | C25 | H12 | 109.3° | 110.0° |
| C25 | C26 | H13 | 108.4° | 109.2° |
| C08 | C09 | O10 | 108.2° | 109.5° |
| C09 | C08 | H27 | 107.6° | 109.5° |
| C08 | C09 | S1 | 110.5° | 109.5° |
| C08 | C09 | H29 | 106.2° | 109.5° |
| C28 | C26 | H13 | 108.2° | 109.2° |
| C26 | C28 | H16 | 108.0° | 109.4° |
| C26 | C28 | H17 | 108.0° | 109.4° |
| O10 | C09 | S1 | 110.5° | 109.5° |
| O10 | C09 | H29 | 107.7° | 109.5° |
| C09 | O10 | H41 | 109.5° | 114.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H5 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.4° |
| H8 | C23 | H9 | 109.5° | 108.9° |
| H11 | C25 | H12 | 109.5° | 109.2° |
| H14 | C27 | H15 | 109.5° | 108.9° |
| H16 | C28 | H17 | 109.5° | 109.2° |
| H18 | C29 | H19 | 109.5° | 108.8° |
| H20 | C04 | H21 | 109.5° | 110.3° |
| H22 | C05 | H23 | 109.5° | 110.8° |
| H25 | C07 | H26 | 109.5° | 109.4° |
| S1 | C09 | H29 | 113.5° | 109.5° |
| C09 | S1 | O2 | 137.7° | 110.5° |
| C09 | S1 | O1 | 137.7° | 110.5° |
| C09 | S1 | O3 | 137.7° | 104.5° |
| H31 | C17 | H32 | 109.5° | 109.5° |
| H31 | C17 | H33 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.4° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.2° |
| O2 | S1 | O1 | 0.0° | 121.0° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H45 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C06 | 179.8° | 179.6° |
| O01 | C02 | N03 | C04 | 180.0° | 179.9° |
| O01 | C02 | C06 | C07 | 53.1° | 77.9° |
| O01 | C02 | C06 | C05 | 171.1° | 163.5° |
| O01 | C02 | C06 | H24 | 71.8° | 44.6° |
| O01 | C02 | N03 | H39 | 0.0° | 0.1° |
| C02 | N03 | C04 | H39 | 180.0° | 179.9° |
| N03 | C02 | C06 | C07 | 126.7° | 102.5° |
| N03 | C02 | C06 | C05 | 8.7° | 16.2° |
| C02 | N03 | C04 | C05 | 9.0° | 17.1° |
| C02 | N03 | C04 | H20 | 110.2° | 101.9° |
| C02 | N03 | C04 | H21 | 128.2° | 136.1° |
| N03 | C02 | C06 | H24 | 108.4° | 135.0° |
| C06 | C02 | N03 | C04 | 0.3° | 0.5° |
| C02 | C06 | C07 | C05 | 113.2° | 114.7° |
| C02 | C06 | C07 | H24 | 125.2° | 122.5° |
| C02 | C06 | C05 | H24 | 117.2° | 118.8° |
| C02 | C06 | C05 | C04 | 13.7° | 24.8° |
| C02 | C06 | C07 | C08 | 173.1° | 66.5° |
| C02 | C06 | C05 | H22 | 106.1° | 93.4° |
| C02 | C06 | C05 | H23 | 133.5° | 142.9° |
| C02 | C06 | C07 | H25 | 66.2° | 173.5° |
| C02 | C06 | C07 | H26 | 52.4° | 53.5° |
| C06 | C02 | N03 | H39 | 179.7° | 179.6° |
| N03 | C04 | C05 | C06 | 14.5° | 25.4° |
| N03 | C04 | C05 | H20 | 119.2° | 119.0° |
| N03 | C04 | C05 | H21 | 119.2° | 119.0° |
| N03 | C04 | H20 | H21 | 122.2° | 122.0° |
| N03 | C04 | C05 | H22 | 105.3° | 92.7° |
| N03 | C04 | C05 | H23 | 134.3° | 143.6° |
| O20 | C21 | C22 | H34 | 121.2° | 120.0° |
| O20 | C21 | C22 | H35 | 121.2° | 120.1° |
| C21 | O20 | C19 | O31 | 8.0° | 0.0° |
| O20 | C21 | C22 | C23 | 179.5° | 175.0° |
| C21 | O20 | C19 | N18 | 170.7° | 180.0° |
| O20 | C21 | C22 | C27 | 55.9° | 64.6° |
| O20 | C21 | H34 | H35 | 116.4° | 120.0° |
| O20 | C21 | C22 | H36 | 62.0° | 55.2° |
| C21 | C22 | C23 | C27 | 123.4° | 119.9° |
| C21 | C22 | C23 | H36 | 118.2° | 119.4° |
| C21 | C22 | C23 | C24 | 170.3° | 178.0° |
| C22 | C21 | O20 | C19 | 80.7° | 180.0° |
| C21 | C22 | C27 | H36 | 117.6° | 119.3° |
| C21 | C22 | C27 | C26 | 170.8° | 177.9° |
| C21 | C22 | C23 | H8 | 49.6° | 62.1° |
| C21 | C22 | C23 | H9 | 69.0° | 57.1° |
| C21 | C22 | C27 | H14 | 68.5° | 57.2° |
| C21 | C22 | C27 | H15 | 50.1° | 62.1° |
| C22 | C21 | H34 | H35 | 116.4° | 120.0° |
| O31 | C19 | O20 | N18 | 178.7° | 180.0° |
| O31 | C19 | N18 | C13 | 17.0° | 0.0° |
| O31 | C19 | N18 | H40 | 163.0° | 180.0° |
| C22 | C23 | C24 | H8 | 120.7° | 119.9° |
| C22 | C23 | C24 | H9 | 120.7° | 120.8° |
| C23 | C22 | C27 | H36 | 118.5° | 120.7° |
| C22 | C23 | C24 | C30 | 117.9° | 119.4° |
| C22 | C23 | C24 | C25 | 4.4° | 0.9° |
| C23 | C22 | C27 | C26 | 46.9° | 58.0° |
| C22 | C23 | H8 | H9 | 117.7° | 119.6° |
| C22 | C23 | C24 | H10 | 123.3° | 120.8° |
| C23 | C22 | C27 | H14 | 167.5° | 62.8° |
| C23 | C22 | C27 | H15 | 73.8° | 177.9° |
| C23 | C22 | C21 | H34 | 58.3° | 65.0° |
| C23 | C22 | C21 | H35 | 59.4° | 55.0° |
| C24 | C23 | C22 | C27 | 46.9° | 58.0° |
| C23 | C24 | C30 | C25 | 123.8° | 120.6° |
| C23 | C24 | C30 | H10 | 118.7° | 119.9° |
| C23 | C24 | C25 | H10 | 118.7° | 120.0° |
| C23 | C24 | C30 | C29 | 75.7° | 61.1° |
| C23 | C24 | C25 | C26 | 57.3° | 59.8° |
| C24 | C23 | H8 | H9 | 117.7° | 119.9° |
| C23 | C24 | C25 | H11 | 177.3° | 179.2° |
| C23 | C24 | C25 | H12 | 62.8° | 61.0° |
| C24 | C23 | C22 | H36 | 71.5° | 62.7° |
| C23 | C24 | C30 | H37 | 45.0° | 59.2° |
| C23 | C24 | C30 | H38 | 163.6° | 178.7° |
| O20 | C19 | N18 | C13 | 161.7° | 180.0° |
| C19 | O20 | C21 | H34 | 158.2° | 60.0° |
| C19 | O20 | C21 | H35 | 40.5° | 59.9° |
| O20 | C19 | N18 | H40 | 18.3° | 0.0° |
| C19 | N18 | C13 | H40 | 180.0° | 180.0° |
| C19 | N18 | C13 | C12 | 45.4° | 155.0° |
| C19 | N18 | C13 | C14 | 166.3° | 85.0° |
| C19 | N18 | C13 | H30 | 74.4° | 35.0° |
| C07 | C06 | C05 | H24 | 121.2° | 122.6° |
| C07 | C06 | C05 | C04 | 135.3° | 93.8° |
| C06 | C07 | C08 | H25 | 120.7° | 120.0° |
| C06 | C07 | C08 | H26 | 120.7° | 120.1° |
| C06 | C07 | C08 | N11 | 53.4° | 65.0° |
| C06 | C07 | C08 | C09 | 177.6° | 175.0° |
| C07 | C06 | C05 | H22 | 15.5° | 148.0° |
| C07 | C06 | C05 | H23 | 104.9° | 24.3° |
| C06 | C07 | H25 | H26 | 117.8° | 120.0° |
| C06 | C07 | C08 | H27 | 66.3° | 55.0° |
| C06 | C05 | C04 | H22 | 119.8° | 118.1° |
| C06 | C05 | C04 | H23 | 119.8° | 118.2° |
| C05 | C06 | C07 | C08 | 73.7° | 178.8° |
| C06 | C05 | C04 | H20 | 104.7° | 93.6° |
| C06 | C05 | C04 | H21 | 133.7° | 144.5° |
| C06 | C05 | H22 | H23 | 120.6° | 123.8° |
| C05 | C06 | C07 | H25 | 47.1° | 58.8° |
| C05 | C06 | C07 | H26 | 165.6° | 61.2° |
| C05 | C04 | H20 | H21 | 122.2° | 121.9° |
| C04 | C05 | H22 | H23 | 120.6° | 123.8° |
| C04 | C05 | C06 | H24 | 103.5° | 143.6° |
| C05 | C04 | N03 | H39 | 171.0° | 163.0° |
| C22 | C27 | C26 | H14 | 120.7° | 120.7° |
| C22 | C27 | C26 | H15 | 120.7° | 120.0° |
| C22 | C27 | C26 | C25 | 4.4° | 1.0° |
| C22 | C27 | C26 | C28 | 117.4° | 119.4° |
| C27 | C22 | C23 | H8 | 73.8° | 178.0° |
| C27 | C22 | C23 | H9 | 167.7° | 62.8° |
| C22 | C27 | C26 | H13 | 123.6° | 120.8° |
| C22 | C27 | H14 | H15 | 117.9° | 119.5° |
| C27 | C22 | C21 | H34 | 65.3° | 55.4° |
| C27 | C22 | C21 | H35 | 177.1° | 175.4° |
| C30 | C24 | C25 | H10 | 117.4° | 119.5° |
| C24 | C30 | C29 | H37 | 120.7° | 120.2° |
| C24 | C30 | C29 | H38 | 120.7° | 120.2° |
| C24 | C30 | C29 | C28 | 32.3° | 58.3° |
| C30 | C24 | C25 | C26 | 66.7° | 60.7° |
| C30 | C24 | C23 | H8 | 2.8° | 120.7° |
| C30 | C24 | C23 | H9 | 121.4° | 1.4° |
| C30 | C24 | C25 | H11 | 53.4° | 58.8° |
| C30 | C24 | C25 | H12 | 173.2° | 178.5° |
| C24 | C30 | C29 | H18 | 88.7° | 178.1° |
| C24 | C30 | C29 | H19 | 153.3° | 62.7° |
| C24 | C30 | H37 | H38 | 117.7° | 119.6° |
| C25 | C24 | C30 | C29 | 48.1° | 59.5° |
| C24 | C25 | C26 | C27 | 57.4° | 59.9° |
| C24 | C25 | C26 | H11 | 120.1° | 119.4° |
| C24 | C25 | C26 | H12 | 120.1° | 120.8° |
| C24 | C25 | C26 | C28 | 66.4° | 60.7° |
| C25 | C24 | C23 | H8 | 125.1° | 119.0° |
| C25 | C24 | C23 | H9 | 116.3° | 121.7° |
| C24 | C25 | H11 | H12 | 119.8° | 120.2° |
| C24 | C25 | C26 | H13 | 176.5° | 179.8° |
| C25 | C24 | C30 | H37 | 168.9° | 179.8° |
| C25 | C24 | C30 | H38 | 72.6° | 60.8° |
| C30 | C29 | C28 | H18 | 121.0° | 119.8° |
| C30 | C29 | C28 | H19 | 121.0° | 121.0° |
| C30 | C29 | C28 | C26 | 32.7° | 58.3° |
| C29 | C30 | C24 | H10 | 165.6° | 179.0° |
| C30 | C29 | C28 | H16 | 153.5° | 61.9° |
| C30 | C29 | C28 | H17 | 88.2° | 178.5° |
| C30 | C29 | H18 | H19 | 116.8° | 119.9° |
| C29 | C30 | H37 | H38 | 117.7° | 119.9° |
| C16 | C15 | C14 | C13 | 56.6° | 175.0° |
| C16 | C15 | C14 | C17 | 125.6° | 120.0° |
| C16 | C15 | C14 | H4 | 117.1° | 119.9° |
| C16 | C15 | C17 | H4 | 117.0° | 120.0° |
| C16 | C15 | C14 | H2 | 177.2° | 65.0° |
| C16 | C15 | C14 | H3 | 64.0° | 55.0° |
| C15 | C16 | H5 | H6 | 120.0° | 120.0° |
| C15 | C16 | H5 | H7 | 120.0° | 120.1° |
| C15 | C16 | H6 | H7 | 120.0° | 120.0° |
| C16 | C15 | C17 | H31 | 180.0° | 60.0° |
| C16 | C15 | C17 | H32 | 60.0° | 180.0° |
| C16 | C15 | C17 | H33 | 60.0° | 60.1° |
| N18 | C13 | C12 | C14 | 122.4° | 120.0° |
| N18 | C13 | C12 | H30 | 120.5° | 120.0° |
| N18 | C13 | C14 | H30 | 120.2° | 120.0° |
| N18 | C13 | C12 | N11 | 143.5° | 180.0° |
| N18 | C13 | C12 | O32 | 35.7° | 0.0° |
| N18 | C13 | C14 | C15 | 55.8° | 65.0° |
| N18 | C13 | C14 | H2 | 64.8° | 175.0° |
| N18 | C13 | C14 | H3 | 176.5° | 55.0° |
| C07 | C08 | N11 | C12 | 103.1° | 155.0° |
| C07 | C08 | N11 | C09 | 122.5° | 120.0° |
| C07 | C08 | N11 | H27 | 119.2° | 120.0° |
| C07 | C08 | C09 | H27 | 115.9° | 120.0° |
| C07 | C08 | C09 | O10 | 170.7° | 175.0° |
| C07 | C08 | N11 | H1 | 76.9° | 24.8° |
| C08 | C07 | C06 | H24 | 47.9° | 56.1° |
| C08 | C07 | H25 | H26 | 117.8° | 120.0° |
| C07 | C08 | C09 | S1 | 68.2° | 65.0° |
| C07 | C08 | C09 | H29 | 55.3° | 55.0° |
| C12 | C13 | C14 | H30 | 117.2° | 120.0° |
| C13 | C12 | N11 | O32 | 179.2° | 179.9° |
| C13 | C12 | N11 | C08 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 178.4° | 175.0° |
| C13 | C12 | N11 | H1 | 0.4° | 0.2° |
| C12 | C13 | C14 | H2 | 57.8° | 55.0° |
| C12 | C13 | C14 | H3 | 60.9° | 65.0° |
| C12 | C13 | N18 | H40 | 134.6° | 25.0° |
| C14 | C13 | C12 | N11 | 94.1° | 60.0° |
| C14 | C13 | C12 | O32 | 86.7° | 120.0° |
| C13 | C14 | C15 | H2 | 120.6° | 120.0° |
| C13 | C14 | C15 | H3 | 120.6° | 120.1° |
| C13 | C14 | C15 | C17 | 177.8° | 65.0° |
| C13 | C14 | H2 | H3 | 118.1° | 120.1° |
| C13 | C14 | C15 | H4 | 60.6° | 55.1° |
| C14 | C13 | N18 | H40 | 13.6° | 95.0° |
| C29 | C28 | C26 | C27 | 75.5° | 61.1° |
| C29 | C28 | C26 | C25 | 48.4° | 59.5° |
| C29 | C28 | C26 | H16 | 120.8° | 120.2° |
| C29 | C28 | C26 | H17 | 120.9° | 120.2° |
| C29 | C28 | C26 | H13 | 165.6° | 179.1° |
| C29 | C28 | H16 | H17 | 117.4° | 119.8° |
| C28 | C29 | H18 | H19 | 116.8° | 119.8° |
| C28 | C29 | C30 | H37 | 153.0° | 178.5° |
| C28 | C29 | C30 | H38 | 88.5° | 61.8° |
| C12 | N11 | C08 | H1 | 180.0° | 179.8° |
| C12 | N11 | C08 | C09 | 134.4° | 85.0° |
| C12 | N11 | C08 | H27 | 16.1° | 35.0° |
| N11 | C12 | C13 | H30 | 22.9° | 60.0° |
| C08 | N11 | C12 | O32 | 0.4° | 0.0° |
| N11 | C08 | C09 | H27 | 118.9° | 120.0° |
| N11 | C08 | C09 | O10 | 64.1° | 65.0° |
| N11 | C08 | C07 | H25 | 174.2° | 175.0° |
| N11 | C08 | C07 | H26 | 67.3° | 55.0° |
| N11 | C08 | C09 | S1 | 57.0° | 55.0° |
| N11 | C08 | C09 | H29 | 179.5° | 175.0° |
| C27 | C26 | C25 | C28 | 123.8° | 120.6° |
| C27 | C26 | C25 | H13 | 119.1° | 119.9° |
| C27 | C26 | C28 | H13 | 119.0° | 119.8° |
| C27 | C26 | C25 | H11 | 177.5° | 179.3° |
| C27 | C26 | C25 | H12 | 62.7° | 60.9° |
| C26 | C27 | H14 | H15 | 117.9° | 119.5° |
| C27 | C26 | C28 | H16 | 45.4° | 178.7° |
| C27 | C26 | C28 | H17 | 163.7° | 59.1° |
| C26 | C27 | C22 | H36 | 71.6° | 62.7° |
| O32 | C12 | N11 | H1 | 179.6° | 179.7° |
| O32 | C12 | C13 | H30 | 156.3° | 120.0° |
| C14 | C15 | C17 | H4 | 117.3° | 120.0° |
| C15 | C14 | H2 | H3 | 118.1° | 120.0° |
| C14 | C15 | C16 | H5 | 180.0° | 60.1° |
| C14 | C15 | C16 | H6 | 60.0° | 179.9° |
| C14 | C15 | C16 | H7 | 60.0° | 60.0° |
| C15 | C14 | C13 | H30 | 64.3° | 55.0° |
| C14 | C15 | C17 | H31 | 54.3° | 60.0° |
| C14 | C15 | C17 | H32 | 65.7° | 60.0° |
| C14 | C15 | C17 | H33 | 174.3° | 180.0° |
| C17 | C15 | C14 | H2 | 57.2° | 55.0° |
| C17 | C15 | C14 | H3 | 61.6° | 175.0° |
| C17 | C15 | C16 | H5 | 54.0° | 59.9° |
| C17 | C15 | C16 | H6 | 65.9° | 60.1° |
| C17 | C15 | C16 | H7 | 174.1° | 180.0° |
| C15 | C17 | H31 | H32 | 120.0° | 120.0° |
| C15 | C17 | H31 | H33 | 120.0° | 120.0° |
| C15 | C17 | H32 | H33 | 120.0° | 119.9° |
| C25 | C26 | C28 | H13 | 117.2° | 119.5° |
| C26 | C25 | C24 | H10 | 175.9° | 179.8° |
| C26 | C25 | H11 | H12 | 119.8° | 120.3° |
| C25 | C26 | C27 | H14 | 116.3° | 121.7° |
| C25 | C26 | C27 | H15 | 125.1° | 119.0° |
| C25 | C26 | C28 | H16 | 169.2° | 60.7° |
| C25 | C26 | C28 | H17 | 72.5° | 179.7° |
| C08 | C09 | O10 | S1 | 121.1° | 120.0° |
| C08 | C09 | O10 | H29 | 114.4° | 120.0° |
| C09 | C08 | N11 | H1 | 45.6° | 95.2° |
| C09 | C08 | C07 | H25 | 61.6° | 55.0° |
| C09 | C08 | C07 | H26 | 56.9° | 64.9° |
| C08 | C09 | S1 | H29 | 119.1° | 120.0° |
| C08 | C09 | O10 | H41 | 180.0° | 60.0° |
| C08 | C09 | S1 | O2 | 79.8° | 68.3° |
| C08 | C09 | S1 | O1 | 79.8° | 68.3° |
| C08 | C09 | S1 | O3 | 79.8° | 180.0° |
| C28 | C26 | C25 | H11 | 53.6° | 58.7° |
| C28 | C26 | C25 | H12 | 173.5° | 178.5° |
| C28 | C26 | C27 | H14 | 122.0° | 1.3° |
| C28 | C26 | C27 | H15 | 3.3° | 120.6° |
| C26 | C28 | H16 | H17 | 117.3° | 119.7° |
| C26 | C28 | C29 | H18 | 88.4° | 178.1° |
| C26 | C28 | C29 | H19 | 153.7° | 62.7° |
| O10 | C09 | C08 | H27 | 54.7° | 55.0° |
| O10 | C09 | S1 | H29 | 121.1° | 120.0° |
| O10 | C09 | S1 | O2 | 160.4° | 171.6° |
| O10 | C09 | S1 | O1 | 160.4° | 51.7° |
| O10 | C09 | S1 | O3 | 160.4° | 60.0° |
| H1 | N11 | C08 | H27 | 163.9° | 144.7° |
| H2 | C14 | C15 | H4 | 60.1° | 175.0° |
| H2 | C14 | C13 | H30 | 175.0° | 64.9° |
| H3 | C14 | C15 | H4 | 178.8° | 65.0° |
| H3 | C14 | C13 | H30 | 56.3° | 175.0° |
| H4 | C15 | C16 | H5 | 62.9° | 180.0° |
| H4 | C15 | C16 | H6 | 177.1° | 60.0° |
| H4 | C15 | C16 | H7 | 57.1° | 59.9° |
| H4 | C15 | C17 | H31 | 63.0° | 180.0° |
| H4 | C15 | C17 | H32 | 177.0° | 60.0° |
| H4 | C15 | C17 | H33 | 57.0° | 60.0° |
| H5 | C16 | H6 | H7 | 120.0° | 120.0° |
| H8 | C23 | C24 | H10 | 116.0° | 0.9° |
| H8 | C23 | C22 | H36 | 167.7° | 57.3° |
| H9 | C23 | C24 | H10 | 2.6° | 118.4° |
| H9 | C23 | C22 | H36 | 49.2° | 176.5° |
| H10 | C24 | C25 | H11 | 64.0° | 60.7° |
| H10 | C24 | C25 | H12 | 55.9° | 59.0° |
| H10 | C24 | C30 | H37 | 73.7° | 60.7° |
| H10 | C24 | C30 | H38 | 44.9° | 58.8° |
| H11 | C25 | C26 | H13 | 63.4° | 60.8° |
| H12 | C25 | C26 | H13 | 56.4° | 59.0° |
| H13 | C26 | C27 | H14 | 3.0° | 118.4° |
| H13 | C26 | C27 | H15 | 115.7° | 0.9° |
| H13 | C26 | C28 | H16 | 73.6° | 58.8° |
| H13 | C26 | C28 | H17 | 44.7° | 60.8° |
| H14 | C27 | C22 | H36 | 49.0° | 176.5° |
| H15 | C27 | C22 | H36 | 167.7° | 57.2° |
| H16 | C28 | C29 | H18 | 32.5° | 57.9° |
| H16 | C28 | C29 | H19 | 85.5° | 177.1° |
| H17 | C28 | C29 | H18 | 150.8° | 61.7° |
| H17 | C28 | C29 | H19 | 32.8° | 57.4° |
| H18 | C29 | C30 | H37 | 32.0° | 61.7° |
| H18 | C29 | C30 | H38 | 150.5° | 58.0° |
| H19 | C29 | C30 | H37 | 86.0° | 57.5° |
| H19 | C29 | C30 | H38 | 32.5° | 177.2° |
| H20 | C04 | C05 | H22 | 135.5° | 148.3° |
| H20 | C04 | C05 | H23 | 15.0° | 24.6° |
| H20 | C04 | N03 | H39 | 69.8° | 78.0° |
| H21 | C04 | C05 | H22 | 13.9° | 26.4° |
| H21 | C04 | C05 | H23 | 106.5° | 97.3° |
| H21 | C04 | N03 | H39 | 51.8° | 44.0° |
| H22 | C05 | C06 | H24 | 136.7° | 25.4° |
| H23 | C05 | C06 | H24 | 16.3° | 98.3° |
| H24 | C06 | C07 | H25 | 168.6° | 63.9° |
| H24 | C06 | C07 | H26 | 72.8° | 176.1° |
| H25 | C07 | C08 | H27 | 54.4° | 65.1° |
| H26 | C07 | C08 | H27 | 172.9° | 175.0° |
| H27 | C08 | C09 | S1 | 175.9° | 175.0° |
| H27 | C08 | C09 | H29 | 60.6° | 65.0° |
| S1 | C09 | O10 | H41 | 58.9° | 60.0° |
| C09 | S1 | O2 | O1 | 90.0° | 131.5° |
| C09 | S1 | O2 | O3 | 90.0° | 111.8° |
| C09 | S1 | O1 | O3 | 90.0° | 111.8° |
| C09 | S1 | O3 | H45 | 90.0° | 180.0° |
| H29 | C09 | O10 | H41 | 65.6° | 180.0° |
| H29 | C09 | S1 | O2 | 39.3° | 51.7° |
| H29 | C09 | S1 | O1 | 39.3° | 171.6° |
| H29 | C09 | S1 | O3 | 39.3° | 60.0° |
| H30 | C13 | N18 | H40 | 105.6° | 145.0° |
| H31 | C17 | H32 | H33 | 120.0° | 120.1° |
| H34 | C21 | C22 | H36 | 176.8° | 175.2° |
| H35 | C21 | C22 | H36 | 59.1° | 64.9° |
| O2 | S1 | O1 | O3 | 90.0° | 116.8° |
| O2 | S1 | O3 | H45 | 90.0° | 64.0° |
| O1 | S1 | O3 | H45 | 90.0° | 63.9° |
