QYS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C23 | N22 | sing | 1.47Å | 1.52Å | |
| C24 | C20 | sing | 1.55Å | 1.54Å | |
| O27 | C26 | sing | 1.43Å | 1.40Å | |
| O28 | C16 | doub | 1.21Å | 1.22Å | |
| C26 | C18 | sing | 1.53Å | 1.59Å | |
| C18 | C19 | sing | 1.53Å | 1.58Å | |
| C18 | N17 | sing | 1.46Å | 1.45Å | |
| N22 | C21 | sing | 1.34Å | 1.34Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C16 | N17 | sing | 1.35Å | 1.37Å | |
| C16 | C11 | sing | 1.51Å | 1.60Å | |
| C21 | O25 | doub | 1.21Å | 1.24Å | |
| O08 | C09 | sing | 1.35Å | 1.39Å | |
| O08 | C07 | sing | 1.45Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| N10 | C09 | sing | 1.35Å | 1.38Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C09 | O29 | doub | 1.22Å | 1.21Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C30 | C06 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C31 | C02 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C02 | F01 | sing | 1.40Å | 1.31Å | |
| C02 | C04 | sing | 1.53Å | 1.58Å | |
| C02 | F03 | sing | 1.40Å | 1.34Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | 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 | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| N10 | H32 | sing | 0.97Å | 1.00Å | |
| N17 | H33 | sing | 0.97Å | 1.00Å | |
| N22 | H34 | sing | 0.97Å | 1.00Å | |
| O27 | H35 | sing | 0.97Å | 0.95Å | |
| C26 | S1 | sing | 1.81Å | 62.82Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| O3 | H36 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | N22 | 102.6° | 105.5° |
| C23 | C24 | C20 | 106.6° | 101.8° |
| C24 | C23 | H22 | 111.2° | 110.2° |
| C24 | C23 | H23 | 111.2° | 110.3° |
| C23 | C24 | H24 | 110.2° | 111.0° |
| C23 | C24 | H25 | 110.2° | 111.0° |
| C23 | N22 | C21 | 112.4° | 111.3° |
| N22 | C23 | H22 | 111.2° | 110.2° |
| N22 | C23 | H23 | 111.2° | 110.2° |
| C23 | N22 | H34 | 123.8° | 124.4° |
| C24 | C20 | C19 | 115.5° | 110.5° |
| C24 | C20 | C21 | 103.9° | 104.2° |
| C24 | C20 | H21 | 107.4° | 110.6° |
| C20 | C24 | H24 | 110.2° | 111.0° |
| C20 | C24 | H25 | 110.2° | 111.0° |
| O27 | C26 | C18 | 106.8° | 109.5° |
| O27 | C26 | H26 | 118.3° | 109.4° |
| C26 | O27 | H35 | 109.5° | 114.1° |
| O27 | C26 | S1 | 53.1° | 109.5° |
| O28 | C16 | N17 | 118.3° | 120.0° |
| O28 | C16 | C11 | 117.5° | 120.0° |
| C26 | C18 | C19 | 113.4° | 109.5° |
| C26 | C18 | N17 | 105.4° | 109.5° |
| C26 | C18 | H18 | 107.5° | 109.5° |
| C18 | C26 | H26 | 114.6° | 109.4° |
| C18 | C26 | S1 | 80.6° | 109.5° |
| C19 | C18 | N17 | 113.4° | 109.4° |
| C18 | C19 | C20 | 110.3° | 109.5° |
| C19 | C18 | H18 | 107.6° | 109.4° |
| C18 | C19 | H19 | 109.3° | 109.4° |
| C18 | C19 | H20 | 109.3° | 109.5° |
| C18 | N17 | C16 | 125.0° | 120.0° |
| N17 | C18 | H18 | 109.4° | 109.5° |
| C18 | N17 | H33 | 117.5° | 120.1° |
| N22 | C21 | C20 | 111.5° | 110.2° |
| N22 | C21 | O25 | 129.1° | 124.9° |
| C21 | N22 | H34 | 123.8° | 124.4° |
| C19 | C20 | C21 | 114.6° | 110.5° |
| C20 | C19 | H19 | 109.3° | 109.5° |
| C20 | C19 | H20 | 109.3° | 109.5° |
| C19 | C20 | H21 | 107.3° | 110.4° |
| C20 | C21 | O25 | 119.4° | 124.9° |
| C21 | C20 | H21 | 107.8° | 110.5° |
| N17 | C16 | C11 | 124.3° | 120.0° |
| C16 | N17 | H33 | 117.5° | 120.0° |
| C16 | C11 | C12 | 108.4° | 109.5° |
| C16 | C11 | N10 | 112.5° | 109.5° |
| C16 | C11 | H8 | 107.3° | 109.5° |
| C09 | O08 | C07 | 122.5° | 117.0° |
| O08 | C09 | N10 | 125.6° | 120.0° |
| O08 | C09 | O29 | 116.8° | 120.0° |
| O08 | C07 | C06 | 114.4° | 109.5° |
| O08 | C07 | H6 | 108.2° | 109.5° |
| O08 | C07 | H7 | 108.2° | 109.4° |
| C11 | C12 | C13 | 115.5° | 109.4° |
| C12 | C11 | N10 | 111.0° | 109.4° |
| C12 | C11 | H8 | 108.4° | 109.5° |
| C11 | C12 | H9 | 107.9° | 109.5° |
| C11 | C12 | H10 | 107.9° | 109.5° |
| C12 | C13 | C14 | 111.9° | 109.5° |
| C12 | C13 | C15 | 111.5° | 109.5° |
| C13 | C12 | H9 | 107.9° | 109.5° |
| C13 | C12 | H10 | 108.0° | 109.5° |
| C12 | C13 | H11 | 107.3° | 109.5° |
| C09 | N10 | C11 | 118.0° | 120.0° |
| N10 | C09 | O29 | 117.5° | 120.0° |
| C09 | N10 | H32 | 121.0° | 120.0° |
| N10 | C11 | H8 | 109.1° | 109.5° |
| C11 | N10 | H32 | 121.0° | 120.0° |
| C07 | C06 | C30 | 114.6° | 109.5° |
| C07 | C06 | C05 | 112.4° | 109.5° |
| C07 | C06 | H5 | 107.5° | 109.5° |
| C06 | C07 | H6 | 108.2° | 109.5° |
| C06 | C07 | H7 | 108.3° | 109.5° |
| C14 | C13 | C15 | 110.2° | 109.5° |
| C14 | C13 | H11 | 107.8° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C15 | C13 | H11 | 107.9° | 109.4° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.4° |
| C06 | C30 | C31 | 109.7° | 109.4° |
| C30 | C06 | C05 | 106.8° | 109.5° |
| C30 | C06 | H5 | 107.8° | 109.5° |
| C06 | C30 | H28 | 109.4° | 109.5° |
| C06 | C30 | H29 | 109.4° | 109.5° |
| C30 | C31 | C02 | 110.8° | 109.5° |
| C31 | C30 | H28 | 109.4° | 109.4° |
| C31 | C30 | H29 | 109.4° | 109.5° |
| C30 | C31 | H30 | 109.1° | 109.5° |
| C30 | C31 | H31 | 109.1° | 109.5° |
| C06 | C05 | C04 | 112.0° | 109.5° |
| C06 | C05 | H3 | 108.9° | 109.5° |
| C06 | C05 | H4 | 108.9° | 109.5° |
| C05 | C06 | H5 | 107.5° | 109.5° |
| C31 | C02 | F01 | 107.5° | 109.5° |
| C31 | C02 | C04 | 116.4° | 109.5° |
| C31 | C02 | F03 | 111.1° | 109.5° |
| C02 | C31 | H30 | 109.1° | 109.5° |
| C02 | C31 | H31 | 109.1° | 109.4° |
| C05 | C04 | C02 | 112.6° | 109.5° |
| C05 | C04 | H1 | 108.7° | 109.5° |
| C05 | C04 | H2 | 108.7° | 109.5° |
| C04 | C05 | H3 | 108.8° | 109.5° |
| C04 | C05 | H4 | 108.8° | 109.4° |
| F01 | C02 | C04 | 109.2° | 109.4° |
| F01 | C02 | F03 | 100.4° | 109.4° |
| C04 | C02 | F03 | 111.0° | 109.5° |
| C02 | C04 | H1 | 108.7° | 109.5° |
| C02 | C04 | H2 | 108.7° | 109.5° |
| H1 | C04 | H2 | 109.5° | 109.4° |
| H3 | C05 | H4 | 109.4° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H12 | C14 | H14 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.4° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H22 | C23 | H23 | 109.5° | 110.3° |
| H24 | C24 | H25 | 109.5° | 110.9° |
| H26 | C26 | S1 | 90.6° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| C26 | S1 | O1 | 90.0° | 110.5° |
| C26 | S1 | O2 | 90.0° | 110.5° |
| C26 | S1 | O3 | 90.0° | 104.5° |
| O1 | S1 | O2 | 90.0° | 121.1° |
| O1 | S1 | O3 | 90.0° | 104.3° |
| O2 | S1 | O3 | 90.0° | 104.3° |
| S1 | O3 | H36 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | N22 | H22 | 118.9° | 119.0° |
| C24 | C23 | N22 | H23 | 118.9° | 119.1° |
| C23 | C24 | C20 | H24 | 119.6° | 118.1° |
| C23 | C24 | C20 | H25 | 119.5° | 118.1° |
| C24 | C23 | N22 | C21 | 10.4° | 17.0° |
| C23 | C24 | C20 | C19 | 143.3° | 93.9° |
| C23 | C24 | C20 | C21 | 16.9° | 24.8° |
| C23 | C24 | C20 | H21 | 97.1° | 143.5° |
| C24 | C23 | H22 | H23 | 123.2° | 122.0° |
| C23 | C24 | H24 | H25 | 121.4° | 123.8° |
| C24 | C23 | N22 | H34 | 169.6° | 163.0° |
| N22 | C23 | C24 | C20 | 16.5° | 25.4° |
| C23 | N22 | C21 | H34 | 180.0° | 180.0° |
| C23 | N22 | C21 | C20 | 0.3° | 0.4° |
| C23 | N22 | C21 | O25 | 178.4° | 179.6° |
| N22 | C23 | H22 | H23 | 123.2° | 121.9° |
| N22 | C23 | C24 | H24 | 136.1° | 143.5° |
| N22 | C23 | C24 | H25 | 103.0° | 92.7° |
| C24 | C20 | C19 | C18 | 69.3° | 178.8° |
| C24 | C20 | C21 | N22 | 11.0° | 16.2° |
| C24 | C20 | C19 | C21 | 120.7° | 114.7° |
| C24 | C20 | C19 | H21 | 119.6° | 122.7° |
| C24 | C20 | C21 | H21 | 113.7° | 118.8° |
| C24 | C20 | C21 | O25 | 170.7° | 163.7° |
| C24 | C20 | C19 | H19 | 170.6° | 61.2° |
| C24 | C20 | C19 | H20 | 50.8° | 58.8° |
| C20 | C24 | C23 | H22 | 135.4° | 93.6° |
| C20 | C24 | C23 | H23 | 102.4° | 144.4° |
| C20 | C24 | H24 | H25 | 121.3° | 123.8° |
| O27 | C26 | C18 | H26 | 133.1° | 119.9° |
| O27 | C26 | C18 | S1 | 46.7° | 120.1° |
| O27 | C26 | C18 | C19 | 51.6° | 174.7° |
| O27 | C26 | C18 | N17 | 176.2° | 54.7° |
| O27 | C26 | C18 | H18 | 67.2° | 65.4° |
| O27 | C26 | H26 | S1 | 47.5° | 120.0° |
| O27 | C26 | S1 | O1 | 90.0° | 57.4° |
| O27 | C26 | S1 | O2 | 90.0° | 79.4° |
| O27 | C26 | S1 | O3 | 90.0° | 169.0° |
| O28 | C16 | N17 | C18 | 3.5° | 4.7° |
| O28 | C16 | N17 | C11 | 178.2° | 179.9° |
| O28 | C16 | C11 | C12 | 88.2° | 99.5° |
| O28 | C16 | C11 | N10 | 35.0° | 20.5° |
| O28 | C16 | C11 | H8 | 154.9° | 140.5° |
| O28 | C16 | N17 | H33 | 176.5° | 175.2° |
| C26 | C18 | C19 | N17 | 120.1° | 120.1° |
| C26 | C18 | C19 | H18 | 118.8° | 120.0° |
| C26 | C18 | N17 | H18 | 115.3° | 120.0° |
| C26 | C18 | C19 | C20 | 173.9° | 172.5° |
| C26 | C18 | N17 | C16 | 124.7° | 84.9° |
| C26 | C18 | C19 | H19 | 65.9° | 67.4° |
| C26 | C18 | C19 | H20 | 53.8° | 52.5° |
| C18 | C26 | H26 | S1 | 79.9° | 120.0° |
| C26 | C18 | N17 | H33 | 55.3° | 94.9° |
| C18 | C26 | O27 | H35 | 180.0° | 59.9° |
| C18 | C26 | S1 | O1 | 90.0° | 177.4° |
| C18 | C26 | S1 | O2 | 90.0° | 40.6° |
| C18 | C26 | S1 | O3 | 90.0° | 71.0° |
| C19 | C18 | N17 | H18 | 120.1° | 119.9° |
| C18 | C19 | C20 | H19 | 120.1° | 120.0° |
| C18 | C19 | C20 | H20 | 120.1° | 120.0° |
| C18 | C19 | C20 | C21 | 170.0° | 66.5° |
| C19 | C18 | N17 | C16 | 110.7° | 155.0° |
| C18 | C19 | H19 | H20 | 119.6° | 119.9° |
| C18 | C19 | C20 | H21 | 50.3° | 56.1° |
| C19 | C18 | C26 | H26 | 81.4° | 54.8° |
| C19 | C18 | N17 | H33 | 69.2° | 25.1° |
| C19 | C18 | C26 | S1 | 4.9° | 65.2° |
| N17 | C18 | C19 | C20 | 65.9° | 67.4° |
| C18 | N17 | C16 | H33 | 180.0° | 179.9° |
| C18 | N17 | C16 | C11 | 178.3° | 175.3° |
| N17 | C18 | C19 | H19 | 54.2° | 52.6° |
| N17 | C18 | C19 | H20 | 173.9° | 172.6° |
| N17 | C18 | C26 | H26 | 43.2° | 65.2° |
| N17 | C18 | C26 | S1 | 129.5° | 174.7° |
| N22 | C21 | C20 | C19 | 137.9° | 102.4° |
| N22 | C21 | C20 | O25 | 178.3° | 180.0° |
| N22 | C21 | C20 | H21 | 102.7° | 135.1° |
| C21 | N22 | C23 | H22 | 129.3° | 102.0° |
| C21 | N22 | C23 | H23 | 108.5° | 136.1° |
| C19 | C20 | C21 | H21 | 119.4° | 122.5° |
| C19 | C20 | C21 | O25 | 43.8° | 77.6° |
| C20 | C19 | C18 | H18 | 55.2° | 52.6° |
| C20 | C19 | H19 | H20 | 119.7° | 120.0° |
| C19 | C20 | C24 | H24 | 97.1° | 24.2° |
| C19 | C20 | C24 | H25 | 23.8° | 148.0° |
| C21 | C20 | C19 | H19 | 49.8° | 53.5° |
| C21 | C20 | C19 | H20 | 69.9° | 173.5° |
| C21 | C20 | C24 | H24 | 136.5° | 142.9° |
| C21 | C20 | C24 | H25 | 102.6° | 93.3° |
| C20 | C21 | N22 | H34 | 179.7° | 179.6° |
| N17 | C16 | C11 | C12 | 93.6° | 80.5° |
| N17 | C16 | C11 | N10 | 143.3° | 159.5° |
| N17 | C16 | C11 | H8 | 23.3° | 39.4° |
| C16 | N17 | C18 | H18 | 9.4° | 35.1° |
| C16 | C11 | C12 | N10 | 124.0° | 120.0° |
| C16 | C11 | C12 | H8 | 116.2° | 120.0° |
| C16 | C11 | C12 | C13 | 175.0° | 63.4° |
| C16 | C11 | N10 | C09 | 49.0° | 158.1° |
| C16 | C11 | N10 | H8 | 118.9° | 120.0° |
| C16 | C11 | C12 | H9 | 64.1° | 176.6° |
| C16 | C11 | C12 | H10 | 54.1° | 56.5° |
| C16 | C11 | N10 | H32 | 131.0° | 21.8° |
| C11 | C16 | N17 | H33 | 1.7° | 4.9° |
| O25 | C21 | C20 | H21 | 75.6° | 44.9° |
| O25 | C21 | N22 | H34 | 1.6° | 0.4° |
| O08 | C09 | N10 | O29 | 177.0° | 180.0° |
| O08 | C09 | N10 | C11 | 165.9° | 175.0° |
| C09 | O08 | C07 | C06 | 100.3° | 180.0° |
| C09 | O08 | C07 | H6 | 139.0° | 60.0° |
| C09 | O08 | C07 | H7 | 20.5° | 60.0° |
| O08 | C09 | N10 | H32 | 14.1° | 4.9° |
| C07 | O08 | C09 | N10 | 47.3° | 180.0° |
| C07 | O08 | C09 | O29 | 135.7° | 0.0° |
| O08 | C07 | C06 | H6 | 120.7° | 120.1° |
| O08 | C07 | C06 | H7 | 120.7° | 119.9° |
| O08 | C07 | C06 | C30 | 104.9° | 65.0° |
| O08 | C07 | C06 | C05 | 132.9° | 175.0° |
| O08 | C07 | C06 | H5 | 14.8° | 55.0° |
| O08 | C07 | H6 | H7 | 117.7° | 119.9° |
| C11 | C12 | C13 | H9 | 120.9° | 120.0° |
| C11 | C12 | C13 | H10 | 120.9° | 120.0° |
| C12 | C11 | N10 | C09 | 170.7° | 81.9° |
| C12 | C11 | N10 | H8 | 119.4° | 120.0° |
| C11 | C12 | C13 | C14 | 168.4° | 64.7° |
| C11 | C12 | C13 | C15 | 44.4° | 175.3° |
| C11 | C12 | H9 | H10 | 117.2° | 120.0° |
| C11 | C12 | C13 | H11 | 73.6° | 55.3° |
| C12 | C11 | N10 | H32 | 9.3° | 98.2° |
| C13 | C12 | C11 | N10 | 60.9° | 176.5° |
| C12 | C13 | C14 | C15 | 124.7° | 120.0° |
| C12 | C13 | C14 | H11 | 117.8° | 120.0° |
| C12 | C13 | C15 | H11 | 117.6° | 120.0° |
| C13 | C12 | C11 | H8 | 58.8° | 56.6° |
| C13 | C12 | H9 | H10 | 117.3° | 120.0° |
| C12 | C13 | C14 | H12 | 180.0° | 64.1° |
| C12 | C13 | C14 | H13 | 60.0° | 175.9° |
| C12 | C13 | C14 | H14 | 60.0° | 55.9° |
| C12 | C13 | C15 | H15 | 180.0° | 59.9° |
| C12 | C13 | C15 | H16 | 60.0° | 180.0° |
| C12 | C13 | C15 | H17 | 60.0° | 60.1° |
| C09 | N10 | C11 | H32 | 180.0° | 179.9° |
| C09 | N10 | C11 | H8 | 69.9° | 38.1° |
| C11 | N10 | C09 | O29 | 11.1° | 5.0° |
| N10 | C11 | C12 | H9 | 60.0° | 56.5° |
| N10 | C11 | C12 | H10 | 178.2° | 63.5° |
| O29 | C09 | N10 | H32 | 168.9° | 175.1° |
| C07 | C06 | C30 | C05 | 125.2° | 120.0° |
| C07 | C06 | C30 | H5 | 119.6° | 120.0° |
| C07 | C06 | C30 | C31 | 164.8° | 180.0° |
| C07 | C06 | C05 | H5 | 118.2° | 120.0° |
| C07 | C06 | C05 | C04 | 169.8° | 180.0° |
| C07 | C06 | C05 | H3 | 69.8° | 60.0° |
| C07 | C06 | C05 | H4 | 49.4° | 60.0° |
| C06 | C07 | H6 | H7 | 117.8° | 120.0° |
| C07 | C06 | C30 | H28 | 44.7° | 60.1° |
| C07 | C06 | C30 | H29 | 75.2° | 60.0° |
| C14 | C13 | C15 | H11 | 117.5° | 120.0° |
| C14 | C13 | C12 | H9 | 70.8° | 55.3° |
| C14 | C13 | C12 | H10 | 47.5° | 175.3° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H14 | 120.0° | 119.9° |
| C13 | C14 | H13 | H14 | 120.0° | 119.9° |
| C14 | C13 | C15 | H15 | 55.1° | 180.0° |
| C14 | C13 | C15 | H16 | 64.9° | 60.0° |
| C14 | C13 | C15 | H17 | 175.1° | 60.0° |
| C15 | C13 | C12 | H9 | 165.3° | 64.7° |
| C15 | C13 | C12 | H10 | 76.5° | 55.3° |
| C15 | C13 | C14 | H12 | 55.3° | 55.9° |
| C15 | C13 | C14 | H13 | 175.3° | 64.1° |
| C15 | C13 | C14 | H14 | 64.7° | 175.9° |
| C13 | C15 | H15 | H16 | 120.0° | 120.0° |
| C13 | C15 | H15 | H17 | 120.0° | 120.0° |
| C13 | C15 | H16 | H17 | 120.0° | 119.9° |
| C06 | C30 | C31 | H28 | 120.0° | 120.0° |
| C06 | C30 | C31 | H29 | 120.0° | 120.0° |
| C30 | C06 | C05 | H5 | 115.4° | 120.0° |
| C06 | C30 | C31 | C02 | 58.4° | 60.0° |
| C30 | C06 | C05 | C04 | 63.7° | 60.0° |
| C30 | C06 | C05 | H3 | 56.6° | 180.0° |
| C30 | C06 | C05 | H4 | 175.9° | 60.0° |
| C30 | C06 | C07 | H6 | 15.8° | 175.0° |
| C30 | C06 | C07 | H7 | 134.4° | 55.0° |
| C06 | C30 | H28 | H29 | 119.9° | 120.1° |
| C06 | C30 | C31 | H30 | 61.8° | 180.0° |
| C06 | C30 | C31 | H31 | 178.6° | 60.0° |
| C31 | C30 | C06 | C05 | 70.1° | 60.0° |
| C30 | C31 | C02 | H30 | 120.2° | 120.0° |
| C30 | C31 | C02 | H31 | 120.2° | 120.0° |
| C30 | C31 | C02 | F01 | 81.7° | 60.0° |
| C30 | C31 | C02 | C04 | 40.9° | 60.0° |
| C30 | C31 | C02 | F03 | 169.3° | 180.0° |
| C31 | C30 | C06 | H5 | 45.1° | 60.0° |
| C31 | C30 | H28 | H29 | 119.9° | 120.0° |
| C30 | C31 | H30 | H31 | 119.4° | 120.1° |
| C06 | C05 | C04 | H3 | 120.4° | 120.0° |
| C06 | C05 | C04 | H4 | 120.4° | 120.0° |
| C06 | C05 | C04 | C02 | 46.3° | 60.0° |
| C06 | C05 | C04 | H1 | 166.8° | 60.0° |
| C06 | C05 | C04 | H2 | 74.1° | 180.0° |
| C06 | C05 | H3 | H4 | 118.9° | 120.0° |
| C05 | C06 | C07 | H6 | 106.4° | 55.0° |
| C05 | C06 | C07 | H7 | 12.2° | 65.0° |
| C05 | C06 | C30 | H28 | 169.9° | 179.9° |
| C05 | C06 | C30 | H29 | 50.0° | 60.0° |
| C31 | C02 | C04 | C05 | 35.2° | 60.0° |
| C31 | C02 | F01 | C04 | 127.0° | 120.0° |
| C31 | C02 | F01 | F03 | 116.3° | 120.0° |
| C31 | C02 | C04 | F03 | 128.4° | 120.0° |
| C31 | C02 | C04 | H1 | 155.6° | 60.1° |
| C31 | C02 | C04 | H2 | 85.3° | 180.0° |
| C02 | C31 | C30 | H28 | 178.4° | 180.0° |
| C02 | C31 | C30 | H29 | 61.7° | 60.0° |
| C02 | C31 | H30 | H31 | 119.4° | 119.9° |
| C05 | C04 | C02 | F01 | 86.6° | 60.0° |
| C05 | C04 | C02 | H1 | 120.4° | 120.0° |
| C05 | C04 | C02 | H2 | 120.5° | 120.0° |
| C05 | C04 | C02 | F03 | 163.6° | 180.0° |
| C05 | C04 | H1 | H2 | 118.6° | 120.0° |
| C04 | C05 | H3 | H4 | 118.8° | 120.0° |
| C04 | C05 | C06 | H5 | 51.6° | 60.0° |
| F01 | C02 | C04 | F03 | 109.8° | 120.0° |
| F01 | C02 | C04 | H1 | 33.8° | 180.0° |
| F01 | C02 | C04 | H2 | 152.9° | 60.0° |
| F01 | C02 | C31 | H30 | 158.1° | 60.0° |
| F01 | C02 | C31 | H31 | 38.5° | 180.0° |
| C02 | C04 | H1 | H2 | 118.6° | 120.0° |
| C02 | C04 | C05 | H3 | 74.1° | 180.0° |
| C02 | C04 | C05 | H4 | 166.7° | 60.0° |
| C04 | C02 | C31 | H30 | 79.3° | 180.0° |
| C04 | C02 | C31 | H31 | 161.1° | 60.0° |
| F03 | C02 | C04 | H1 | 76.0° | 60.0° |
| F03 | C02 | C04 | H2 | 43.1° | 60.0° |
| F03 | C02 | C31 | H30 | 49.1° | 59.9° |
| F03 | C02 | C31 | H31 | 70.5° | 60.0° |
| H1 | C04 | C05 | H3 | 46.4° | 60.0° |
| H1 | C04 | C05 | H4 | 72.8° | 180.0° |
| H2 | C04 | C05 | H3 | 165.5° | 60.0° |
| H2 | C04 | C05 | H4 | 46.3° | 60.0° |
| H3 | C05 | C06 | H5 | 172.0° | 60.0° |
| H4 | C05 | C06 | H5 | 68.7° | 180.0° |
| H5 | C06 | C07 | H6 | 135.5° | 65.1° |
| H5 | C06 | C07 | H7 | 105.9° | 174.9° |
| H5 | C06 | C30 | H28 | 74.9° | 59.9° |
| H5 | C06 | C30 | H29 | 165.2° | 180.0° |
| H8 | C11 | C12 | H9 | 179.7° | 63.4° |
| H8 | C11 | C12 | H10 | 62.1° | 176.5° |
| H8 | C11 | N10 | H32 | 110.1° | 141.8° |
| H9 | C12 | C13 | H11 | 47.3° | 175.3° |
| H10 | C12 | C13 | H11 | 165.5° | 64.6° |
| H11 | C13 | C14 | H12 | 62.3° | 175.9° |
| H11 | C13 | C14 | H13 | 57.7° | 55.8° |
| H11 | C13 | C14 | H14 | 177.8° | 64.1° |
| H11 | C13 | C15 | H15 | 62.4° | 60.0° |
| H11 | C13 | C15 | H16 | 177.6° | 60.0° |
| H11 | C13 | C15 | H17 | 57.6° | 180.0° |
| H12 | C14 | H13 | H14 | 119.9° | 120.1° |
| H15 | C15 | H16 | H17 | 119.9° | 120.0° |
| H18 | C18 | C19 | H19 | 175.3° | 172.6° |
| H18 | C18 | C19 | H20 | 65.0° | 67.5° |
| H18 | C18 | C26 | H26 | 159.7° | 174.7° |
| H18 | C18 | N17 | H33 | 170.6° | 145.0° |
| H18 | C18 | C26 | S1 | 113.9° | 54.7° |
| H19 | C19 | C20 | H21 | 69.8° | 176.1° |
| H20 | C19 | C20 | H21 | 170.4° | 63.9° |
| H21 | C20 | C24 | H24 | 22.5° | 98.3° |
| H21 | C20 | C24 | H25 | 143.4° | 25.4° |
| H22 | C23 | C24 | H24 | 105.1° | 24.5° |
| H22 | C23 | C24 | H25 | 15.9° | 148.3° |
| H22 | C23 | N22 | H34 | 50.7° | 78.0° |
| H23 | C23 | C24 | H24 | 17.2° | 97.5° |
| H23 | C23 | C24 | H25 | 138.1° | 26.3° |
| H23 | C23 | N22 | H34 | 71.5° | 43.9° |
| H26 | C26 | O27 | H35 | 49.0° | 60.0° |
| H26 | C26 | S1 | O1 | 90.0° | 62.6° |
| H26 | C26 | S1 | O2 | 90.0° | 160.6° |
| H26 | C26 | S1 | O3 | 90.0° | 49.0° |
| H28 | C30 | C31 | H30 | 58.2° | 60.0° |
| H28 | C30 | C31 | H31 | 61.4° | 60.0° |
| H29 | C30 | C31 | H30 | 178.1° | 60.0° |
| H29 | C30 | C31 | H31 | 58.5° | 180.0° |
| H35 | O27 | C26 | S1 | 116.1° | 180.0° |
| C26 | S1 | O1 | O2 | 90.0° | 131.5° |
| C26 | S1 | O1 | O3 | 90.0° | 111.7° |
| C26 | S1 | O2 | O3 | 90.0° | 111.7° |
| C26 | S1 | O3 | H36 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H36 | 90.0° | 63.9° |
| O2 | S1 | O3 | H36 | 90.0° | 64.0° |
