YL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F26 | C25 | sing | 1.35Å | 1.34Å | |
| O18 | C14 | doub | 1.21Å | 1.22Å | |
| C25 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | N15 | sing | 1.34Å | 1.39Å | |
| C14 | C13 | sing | 1.52Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.56Å | |
| C23 | O22 | sing | 1.45Å | 1.43Å | |
| C24 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| N15 | C16 | doub | 1.29Å | 1.48Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C30 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| O22 | C02 | sing | 1.35Å | 1.39Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.54Å | 1.54Å | |
| C02 | N03 | sing | 1.35Å | 1.40Å | |
| C16 | C17 | sing | 1.51Å | 1.56Å | |
| C12 | C11 | sing | 1.53Å | 1.58Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| C04 | C09 | sing | 1.51Å | 1.57Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| N10 | C09 | sing | 1.35Å | 1.37Å | |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| C09 | O21 | doub | 1.21Å | 1.23Å | |
| C11 | C19 | sing | 1.53Å | 1.50Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C08 | sing | 1.53Å | 1.57Å | |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| N03 | H27 | sing | 0.97Å | 1.00Å | |
| N10 | H28 | sing | 0.97Å | 1.00Å | |
| O20 | H30 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.14Å | |
| S1 | O2 | doub | 1.42Å | 34.14Å | |
| S1 | O3 | sing | 1.52Å | 34.14Å | |
| O3 | H3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F26 | C25 | C27 | 118.4° | 120.0° |
| F26 | C25 | C24 | 118.6° | 120.0° |
| O18 | C14 | N15 | 124.0° | 125.6° |
| O18 | C14 | C13 | 123.4° | 125.7° |
| C27 | C25 | C24 | 123.0° | 120.0° |
| C25 | C27 | C28 | 119.9° | 119.9° |
| C25 | C27 | H10 | 120.0° | 120.0° |
| C25 | C24 | C23 | 122.2° | 120.0° |
| C25 | C24 | C30 | 115.1° | 120.0° |
| C27 | C28 | C29 | 119.2° | 120.0° |
| C27 | C28 | H9 | 120.4° | 120.0° |
| C28 | C27 | H10 | 120.1° | 120.0° |
| N15 | C14 | C13 | 112.6° | 108.7° |
| C14 | N15 | C16 | 110.1° | 115.5° |
| C14 | C13 | C12 | 118.0° | 110.7° |
| C14 | C13 | C17 | 102.5° | 102.8° |
| C14 | C13 | H23 | 109.6° | 110.9° |
| C24 | C23 | O22 | 115.2° | 109.5° |
| C23 | C24 | C30 | 122.7° | 120.0° |
| C24 | C23 | H6 | 108.0° | 109.5° |
| C24 | C23 | H7 | 108.0° | 109.5° |
| C23 | O22 | C02 | 119.3° | 117.0° |
| O22 | C23 | H6 | 108.0° | 109.5° |
| O22 | C23 | H7 | 108.1° | 109.5° |
| C24 | C30 | C29 | 122.8° | 119.9° |
| C24 | C30 | H26 | 118.6° | 120.0° |
| N15 | C16 | C17 | 105.8° | 109.9° |
| N15 | C16 | H2 | 127.1° | 125.1° |
| C28 | C29 | C30 | 120.0° | 120.1° |
| C28 | C29 | H8 | 120.0° | 120.0° |
| C29 | C28 | H9 | 120.4° | 120.0° |
| O01 | C02 | O22 | 118.1° | 120.0° |
| O01 | C02 | N03 | 121.9° | 120.0° |
| C30 | C29 | H8 | 120.0° | 119.9° |
| C29 | C30 | H26 | 118.6° | 120.1° |
| O22 | C02 | N03 | 119.9° | 120.0° |
| C12 | C13 | C17 | 107.3° | 110.8° |
| C13 | C12 | C11 | 116.3° | 109.4° |
| C13 | C12 | H21 | 107.7° | 109.5° |
| C13 | C12 | H22 | 107.7° | 109.5° |
| C12 | C13 | H23 | 109.5° | 110.7° |
| C13 | C17 | C16 | 106.9° | 103.1° |
| C13 | C17 | H4 | 110.1° | 110.7° |
| C13 | C17 | H5 | 110.1° | 110.8° |
| C17 | C13 | H23 | 109.5° | 110.8° |
| C02 | N03 | C04 | 122.9° | 120.0° |
| C02 | N03 | H27 | 118.5° | 120.0° |
| C17 | C16 | H2 | 127.1° | 125.0° |
| C16 | C17 | H4 | 110.1° | 110.6° |
| C16 | C17 | H5 | 110.1° | 110.7° |
| C12 | C11 | N10 | 111.0° | 109.5° |
| C12 | C11 | C19 | 110.9° | 109.4° |
| C12 | C11 | H1 | 107.9° | 109.5° |
| C11 | C12 | H21 | 107.7° | 109.4° |
| C11 | C12 | H22 | 107.7° | 109.5° |
| C07 | C06 | C05 | 110.7° | 109.4° |
| C07 | C06 | C08 | 111.2° | 109.5° |
| C07 | C06 | H14 | 107.3° | 109.4° |
| C06 | C07 | H15 | 109.5° | 109.5° |
| C06 | C07 | H16 | 109.4° | 109.5° |
| C06 | C07 | H17 | 109.5° | 109.5° |
| N03 | C04 | C09 | 107.8° | 109.5° |
| N03 | C04 | C05 | 114.6° | 109.5° |
| N03 | C04 | H11 | 108.5° | 109.5° |
| C04 | N03 | H27 | 118.6° | 120.0° |
| C09 | C04 | C05 | 110.7° | 109.5° |
| C04 | C09 | N10 | 123.9° | 120.1° |
| C04 | C09 | O21 | 115.9° | 120.0° |
| C09 | C04 | H11 | 107.3° | 109.4° |
| C04 | C05 | C06 | 115.1° | 109.5° |
| C05 | C04 | H11 | 107.6° | 109.5° |
| C04 | C05 | H12 | 108.0° | 109.4° |
| C04 | C05 | H13 | 108.1° | 109.4° |
| C09 | N10 | C11 | 125.0° | 120.0° |
| N10 | C09 | O21 | 120.2° | 119.9° |
| C09 | N10 | H28 | 117.5° | 120.0° |
| N10 | C11 | C19 | 108.9° | 109.5° |
| N10 | C11 | H1 | 109.3° | 109.5° |
| C11 | N10 | H28 | 117.5° | 120.0° |
| C11 | C19 | O20 | 108.8° | 109.5° |
| C19 | C11 | H1 | 108.8° | 109.5° |
| C11 | C19 | H24 | 106.7° | 109.5° |
| C11 | C19 | S1 | 109.6° | 109.5° |
| C05 | C06 | C08 | 112.9° | 109.5° |
| C06 | C05 | H12 | 108.0° | 109.5° |
| C06 | C05 | H13 | 108.0° | 109.5° |
| C05 | C06 | H14 | 107.4° | 109.5° |
| C08 | C06 | H14 | 107.0° | 109.5° |
| C06 | C08 | H18 | 109.5° | 109.4° |
| C06 | C08 | H19 | 109.5° | 109.5° |
| C06 | C08 | H20 | 109.4° | 109.5° |
| O20 | C19 | H24 | 108.0° | 109.4° |
| O20 | C19 | S1 | 109.7° | 109.5° |
| C19 | O20 | H30 | 109.5° | 114.0° |
| H4 | C17 | H5 | 109.5° | 110.7° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H12 | C05 | H13 | 109.5° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.4° |
| H15 | C07 | H17 | 109.5° | 109.5° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.5° |
| H18 | C08 | H20 | 109.4° | 109.5° |
| H19 | C08 | H20 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H24 | C19 | S1 | 113.9° | 109.5° |
| C19 | S1 | O1 | 137.4° | 110.5° |
| C19 | S1 | O2 | 137.4° | 110.6° |
| C19 | S1 | O3 | 137.4° | 104.4° |
| O1 | S1 | O2 | 0.0° | 121.1° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H3 | 90.0° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F26 | C25 | C27 | C24 | 179.5° | 180.0° |
| F26 | C25 | C27 | C28 | 179.7° | 180.0° |
| F26 | C25 | C24 | C23 | 0.4° | 0.0° |
| F26 | C25 | C24 | C30 | 179.7° | 179.7° |
| F26 | C25 | C27 | H10 | 0.3° | 0.3° |
| O18 | C14 | N15 | C13 | 178.8° | 179.6° |
| O18 | C14 | N15 | C16 | 179.7° | 180.0° |
| O18 | C14 | C13 | C12 | 54.2° | 61.5° |
| O18 | C14 | C13 | C17 | 171.7° | 179.8° |
| O18 | C14 | C13 | H23 | 72.0° | 61.8° |
| C25 | C27 | C28 | H10 | 180.0° | 179.7° |
| C27 | C25 | C24 | C23 | 179.9° | 180.0° |
| C27 | C25 | C24 | C30 | 0.2° | 0.3° |
| C25 | C27 | C28 | C29 | 0.2° | 0.3° |
| C25 | C27 | C28 | H9 | 179.8° | 180.0° |
| C24 | C25 | C27 | C28 | 0.2° | 0.0° |
| C25 | C24 | C23 | C30 | 179.9° | 179.7° |
| C25 | C24 | C23 | O22 | 107.2° | 179.7° |
| C25 | C24 | C30 | C29 | 0.1° | 0.3° |
| C25 | C24 | C23 | H6 | 13.6° | 59.7° |
| C25 | C24 | C23 | H7 | 132.0° | 60.3° |
| C24 | C25 | C27 | H10 | 179.7° | 179.7° |
| C25 | C24 | C30 | H26 | 179.9° | 179.7° |
| C27 | C28 | C29 | H9 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | H8 | 179.9° | 179.7° |
| N15 | C14 | C13 | C12 | 127.0° | 118.1° |
| N15 | C14 | C13 | C17 | 9.4° | 0.2° |
| C14 | N15 | C16 | C17 | 8.0° | 0.5° |
| C14 | N15 | C16 | H2 | 172.0° | 179.7° |
| N15 | C14 | C13 | H23 | 106.8° | 118.6° |
| C13 | C14 | N15 | C16 | 0.9° | 0.5° |
| C14 | C13 | C12 | C17 | 115.0° | 113.3° |
| C14 | C13 | C12 | H23 | 126.2° | 123.4° |
| C14 | C13 | C17 | H23 | 116.3° | 118.5° |
| C14 | C13 | C17 | C16 | 13.7° | 0.0° |
| C14 | C13 | C12 | C11 | 178.1° | 179.1° |
| C14 | C13 | C17 | H4 | 105.9° | 118.4° |
| C14 | C13 | C17 | H5 | 133.3° | 118.5° |
| C14 | C13 | C12 | H21 | 57.1° | 60.9° |
| C14 | C13 | C12 | H22 | 60.9° | 59.1° |
| C24 | C23 | O22 | H6 | 120.8° | 120.0° |
| C24 | C23 | O22 | H7 | 120.8° | 120.0° |
| C23 | C24 | C30 | C29 | 180.0° | 180.0° |
| C24 | C23 | O22 | C02 | 167.0° | 180.0° |
| C24 | C23 | H6 | H7 | 117.4° | 120.0° |
| C23 | C24 | C30 | H26 | 0.0° | 0.0° |
| O22 | C23 | C24 | C30 | 72.7° | 0.0° |
| C23 | O22 | C02 | O01 | 84.4° | 0.0° |
| C23 | O22 | C02 | N03 | 94.9° | 180.0° |
| O22 | C23 | H6 | H7 | 117.4° | 120.0° |
| C24 | C30 | C29 | C28 | 0.1° | 0.0° |
| C24 | C30 | C29 | H26 | 180.0° | 180.0° |
| C30 | C24 | C23 | H6 | 166.5° | 120.0° |
| C30 | C24 | C23 | H7 | 48.2° | 120.0° |
| C24 | C30 | C29 | H8 | 179.9° | 180.0° |
| N15 | C16 | C17 | C13 | 13.8° | 0.3° |
| N15 | C16 | C17 | H2 | 180.0° | 179.8° |
| N15 | C16 | C17 | H4 | 105.8° | 118.6° |
| N15 | C16 | C17 | H5 | 133.4° | 118.3° |
| C28 | C29 | C30 | H8 | 180.0° | 180.0° |
| C29 | C28 | C27 | H10 | 179.8° | 180.0° |
| C28 | C29 | C30 | H26 | 179.9° | 180.0° |
| O01 | C02 | O22 | N03 | 179.3° | 180.0° |
| O01 | C02 | N03 | C04 | 7.5° | 5.0° |
| O01 | C02 | N03 | H27 | 172.5° | 175.0° |
| C30 | C29 | C28 | H9 | 179.9° | 180.0° |
| O22 | C02 | N03 | C04 | 173.2° | 175.0° |
| C02 | O22 | C23 | H6 | 72.1° | 60.0° |
| C02 | O22 | C23 | H7 | 46.2° | 60.0° |
| O22 | C02 | N03 | H27 | 6.8° | 5.0° |
| C12 | C13 | C17 | H23 | 118.8° | 123.2° |
| C12 | C13 | C17 | C16 | 138.6° | 118.3° |
| C13 | C12 | C11 | H21 | 121.0° | 120.0° |
| C13 | C12 | C11 | H22 | 121.0° | 120.0° |
| C13 | C12 | C11 | N10 | 65.2° | 66.5° |
| C13 | C12 | C11 | C19 | 173.6° | 173.5° |
| C13 | C12 | C11 | H1 | 54.6° | 53.5° |
| C12 | C13 | C17 | H4 | 19.0° | 123.3° |
| C12 | C13 | C17 | H5 | 101.8° | 0.2° |
| C13 | C12 | H21 | H22 | 116.8° | 120.0° |
| C13 | C17 | C16 | H4 | 119.6° | 118.4° |
| C13 | C17 | C16 | H5 | 119.6° | 118.6° |
| C17 | C13 | C12 | C11 | 63.2° | 65.8° |
| C13 | C17 | C16 | H2 | 166.2° | 180.0° |
| C13 | C17 | H4 | H5 | 121.2° | 123.3° |
| C17 | C13 | C12 | H21 | 57.9° | 174.3° |
| C17 | C13 | C12 | H22 | 175.8° | 54.2° |
| C02 | N03 | C04 | H27 | 180.0° | 179.9° |
| C02 | N03 | C04 | C09 | 49.3° | 151.9° |
| C02 | N03 | C04 | C05 | 173.1° | 88.1° |
| C02 | N03 | C04 | H11 | 66.6° | 31.9° |
| C16 | C17 | H4 | H5 | 121.2° | 123.1° |
| C16 | C17 | C13 | H23 | 102.6° | 118.5° |
| C12 | C11 | N10 | C09 | 111.1° | 165.0° |
| C12 | C11 | N10 | C19 | 122.4° | 120.0° |
| C12 | C11 | N10 | H1 | 118.9° | 120.0° |
| C12 | C11 | C19 | H1 | 118.5° | 120.0° |
| C12 | C11 | C19 | O20 | 57.3° | 55.0° |
| C11 | C12 | H21 | H22 | 116.9° | 120.0° |
| C11 | C12 | C13 | H23 | 55.6° | 57.5° |
| C12 | C11 | C19 | H24 | 173.6° | 175.0° |
| C12 | C11 | C19 | S1 | 62.6° | 65.0° |
| C12 | C11 | N10 | H28 | 68.9° | 15.0° |
| C07 | C06 | C05 | C04 | 65.5° | 66.0° |
| C07 | C06 | C05 | C08 | 125.5° | 120.0° |
| C07 | C06 | C05 | H14 | 116.9° | 120.0° |
| C07 | C06 | C08 | H14 | 116.9° | 120.0° |
| C07 | C06 | C05 | H12 | 173.7° | 54.0° |
| C07 | C06 | C05 | H13 | 55.3° | 174.0° |
| C06 | C07 | H15 | H16 | 120.0° | 120.0° |
| C06 | C07 | H15 | H17 | 120.0° | 120.1° |
| C06 | C07 | H16 | H17 | 120.0° | 120.1° |
| C07 | C06 | C08 | H18 | 180.0° | 180.0° |
| C07 | C06 | C08 | H19 | 60.0° | 60.0° |
| C07 | C06 | C08 | H20 | 60.0° | 60.0° |
| N03 | C04 | C09 | C05 | 126.1° | 120.1° |
| N03 | C04 | C09 | H11 | 116.7° | 120.0° |
| N03 | C04 | C05 | H11 | 120.8° | 120.1° |
| N03 | C04 | C09 | N10 | 139.2° | 165.4° |
| N03 | C04 | C09 | O21 | 39.7° | 14.7° |
| N03 | C04 | C05 | C06 | 61.2° | 172.1° |
| N03 | C04 | C05 | H12 | 59.6° | 52.0° |
| N03 | C04 | C05 | H13 | 178.0° | 67.9° |
| C09 | C04 | C05 | H11 | 117.0° | 119.9° |
| C04 | C09 | N10 | O21 | 178.9° | 179.9° |
| C04 | C09 | N10 | C11 | 180.0° | 174.1° |
| C09 | C04 | C05 | C06 | 176.6° | 67.9° |
| C09 | C04 | C05 | H12 | 62.6° | 172.1° |
| C09 | C04 | C05 | H13 | 55.8° | 52.1° |
| C09 | C04 | N03 | H27 | 130.7° | 28.2° |
| C04 | C09 | N10 | H28 | 0.0° | 5.9° |
| C05 | C04 | C09 | N10 | 94.6° | 74.5° |
| C05 | C04 | C09 | O21 | 86.5° | 105.4° |
| C04 | C05 | C06 | H12 | 120.8° | 120.0° |
| C04 | C05 | C06 | H13 | 120.8° | 120.0° |
| C04 | C05 | C06 | C08 | 169.0° | 174.0° |
| C04 | C05 | H12 | H13 | 117.5° | 119.9° |
| C04 | C05 | C06 | H14 | 51.4° | 54.0° |
| C05 | C04 | N03 | H27 | 6.9° | 91.8° |
| C09 | N10 | C11 | H28 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 126.6° | 75.0° |
| C09 | N10 | C11 | H1 | 7.8° | 45.0° |
| N10 | C09 | C04 | H11 | 22.5° | 45.4° |
| C11 | N10 | C09 | O21 | 1.2° | 6.0° |
| N10 | C11 | C19 | H1 | 119.0° | 120.0° |
| N10 | C11 | C19 | O20 | 179.8° | 175.0° |
| N10 | C11 | C12 | H21 | 173.8° | 53.5° |
| N10 | C11 | C12 | H22 | 55.8° | 173.5° |
| N10 | C11 | C19 | H24 | 63.9° | 65.0° |
| N10 | C11 | C19 | S1 | 59.9° | 55.0° |
| O21 | C09 | C04 | H11 | 156.4° | 134.7° |
| O21 | C09 | N10 | H28 | 178.8° | 174.0° |
| C11 | C19 | O20 | H24 | 115.5° | 120.0° |
| C11 | C19 | O20 | S1 | 119.9° | 120.1° |
| C19 | C11 | C12 | H21 | 52.6° | 66.5° |
| C19 | C11 | C12 | H22 | 65.4° | 53.5° |
| C11 | C19 | H24 | S1 | 121.1° | 120.0° |
| C19 | C11 | N10 | H28 | 53.4° | 105.0° |
| C11 | C19 | O20 | H30 | 180.0° | 60.1° |
| C11 | C19 | S1 | O1 | 75.8° | 63.4° |
| C11 | C19 | S1 | O2 | 75.8° | 73.4° |
| C11 | C19 | S1 | O3 | 75.8° | 175.0° |
| C05 | C06 | C08 | H14 | 117.9° | 120.1° |
| C06 | C05 | C04 | H11 | 59.6° | 52.0° |
| C06 | C05 | H12 | H13 | 117.4° | 120.1° |
| C05 | C06 | C07 | H15 | 180.0° | 63.8° |
| C05 | C06 | C07 | H16 | 60.0° | 176.2° |
| C05 | C06 | C07 | H17 | 60.0° | 56.2° |
| C05 | C06 | C08 | H18 | 54.9° | 60.0° |
| C05 | C06 | C08 | H19 | 65.2° | 180.0° |
| C05 | C06 | C08 | H20 | 174.8° | 60.0° |
| C08 | C06 | C05 | H12 | 48.2° | 66.0° |
| C08 | C06 | C05 | H13 | 70.1° | 54.0° |
| C08 | C06 | C07 | H15 | 53.6° | 56.1° |
| C08 | C06 | C07 | H16 | 66.4° | 63.8° |
| C08 | C06 | C07 | H17 | 173.7° | 176.2° |
| C06 | C08 | H18 | H19 | 120.0° | 120.0° |
| C06 | C08 | H18 | H20 | 120.0° | 120.0° |
| C06 | C08 | H19 | H20 | 120.0° | 120.0° |
| O20 | C19 | C11 | H1 | 61.2° | 64.9° |
| O20 | C19 | H24 | S1 | 122.1° | 120.0° |
| O20 | C19 | S1 | O1 | 43.6° | 56.6° |
| O20 | C19 | S1 | O2 | 43.6° | 166.6° |
| O20 | C19 | S1 | O3 | 43.6° | 55.0° |
| H1 | C11 | C12 | H21 | 66.4° | 173.5° |
| H1 | C11 | C12 | H22 | 175.6° | 66.5° |
| H1 | C11 | C19 | H24 | 55.1° | 55.0° |
| H1 | C11 | C19 | S1 | 178.9° | 175.0° |
| H1 | C11 | N10 | H28 | 172.2° | 135.0° |
| H2 | C16 | C17 | H4 | 74.1° | 61.6° |
| H2 | C16 | C17 | H5 | 46.7° | 61.5° |
| H4 | C17 | C13 | H23 | 137.8° | 0.2° |
| H5 | C17 | C13 | H23 | 17.0° | 123.0° |
| H8 | C29 | C28 | H9 | 0.1° | 0.0° |
| H8 | C29 | C30 | H26 | 0.1° | 0.0° |
| H9 | C28 | C27 | H10 | 0.2° | 0.3° |
| H11 | C04 | C05 | H12 | 179.6° | 68.0° |
| H11 | C04 | C05 | H13 | 61.2° | 172.0° |
| H11 | C04 | N03 | H27 | 113.4° | 148.1° |
| H12 | C05 | C06 | H14 | 69.5° | 173.9° |
| H13 | C05 | C06 | H14 | 172.2° | 66.0° |
| H14 | C06 | C07 | H15 | 63.1° | 176.2° |
| H14 | C06 | C07 | H16 | 176.9° | 56.2° |
| H14 | C06 | C07 | H17 | 56.9° | 63.8° |
| H14 | C06 | C08 | H18 | 63.1° | 60.1° |
| H14 | C06 | C08 | H19 | 176.9° | 60.0° |
| H14 | C06 | C08 | H20 | 56.9° | 180.0° |
| H15 | C07 | H16 | H17 | 120.0° | 119.9° |
| H18 | C08 | H19 | H20 | 120.0° | 120.0° |
| H21 | C12 | C13 | H23 | 176.6° | 62.5° |
| H22 | C12 | C13 | H23 | 65.4° | 177.5° |
| H24 | C19 | O20 | H30 | 64.5° | 180.0° |
| H24 | C19 | S1 | O1 | 164.8° | 176.6° |
| H24 | C19 | S1 | O2 | 164.8° | 46.6° |
| H24 | C19 | S1 | O3 | 164.8° | 65.0° |
| S1 | C19 | O20 | H30 | 60.1° | 60.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O1 | O3 | 90.0° | 111.7° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H3 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H3 | 90.0° | 64.0° |
| O2 | S1 | O3 | H3 | 90.0° | 63.9° |
