YKY
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 | 1.51Å | 1.54Å | |
| C23 | C24 | sing | 1.51Å | 1.57Å | |
| C23 | O22 | sing | 1.45Å | 1.44Å | |
| 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 | 1.21Å | 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 | 1.48Å | |
| C04 | C09 | sing | 1.51Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| N10 | C09 | sing | 1.35Å | 1.38Å | |
| N10 | C11 | sing | 1.46Å | 1.49Å | |
| C09 | O21 | doub | 1.21Å | 1.23Å | |
| C11 | C19 | sing | 1.53Å | 1.51Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C08 | sing | 1.53Å | 1.57Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| C28 | H1 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| N03 | H26 | sing | 0.97Å | 1.00Å | |
| N10 | H27 | sing | 0.97Å | 1.00Å | |
| O20 | H28 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.10Å | |
| S1 | O2 | doub | 1.42Å | 34.10Å | |
| S1 | O3 | sing | 1.52Å | 34.10Å | |
| O3 | H15 | 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 | 118.7° | 120.0° |
| O18 | C14 | N15 | 123.9° | 125.6° |
| O18 | C14 | C13 | 123.4° | 125.7° |
| C27 | C25 | C24 | 123.0° | 120.0° |
| C25 | C27 | C28 | 119.8° | 120.0° |
| C25 | C27 | H25 | 120.1° | 120.0° |
| C25 | C24 | C23 | 122.3° | 120.1° |
| C25 | C24 | C30 | 115.1° | 120.0° |
| C27 | C28 | C29 | 119.2° | 120.0° |
| C27 | C28 | H1 | 120.4° | 120.0° |
| C28 | C27 | H25 | 120.1° | 120.0° |
| N15 | C14 | C13 | 112.7° | 108.7° |
| C14 | N15 | C16 | 110.4° | 115.5° |
| C14 | C13 | C12 | 118.0° | 110.8° |
| C14 | C13 | C17 | 102.9° | 102.7° |
| C14 | C13 | H20 | 109.6° | 110.8° |
| C24 | C23 | O22 | 115.2° | 109.5° |
| C23 | C24 | C30 | 122.5° | 120.0° |
| C24 | C23 | H23 | 108.0° | 109.5° |
| C24 | C23 | H24 | 108.0° | 109.5° |
| C23 | O22 | C02 | 119.4° | 117.0° |
| O22 | C23 | H23 | 108.0° | 109.5° |
| O22 | C23 | H24 | 108.0° | 109.5° |
| C24 | C30 | C29 | 122.8° | 120.0° |
| C24 | C30 | H18 | 118.6° | 120.0° |
| N15 | C16 | C17 | 106.2° | 109.9° |
| N15 | C16 | H14 | 126.9° | 125.1° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C29 | C28 | H1 | 120.4° | 120.0° |
| C28 | C29 | H17 | 120.0° | 120.0° |
| O01 | C02 | O22 | 118.0° | 120.0° |
| O01 | C02 | N03 | 121.9° | 119.9° |
| C30 | C29 | H17 | 120.0° | 120.0° |
| C29 | C30 | H18 | 118.6° | 119.9° |
| O22 | C02 | N03 | 120.2° | 120.0° |
| C12 | C13 | C17 | 107.1° | 110.7° |
| C13 | C12 | C11 | 116.2° | 109.5° |
| C13 | C12 | H12 | 107.8° | 109.4° |
| C13 | C12 | H13 | 107.7° | 109.4° |
| C12 | C13 | H20 | 109.4° | 110.7° |
| C13 | C17 | C16 | 107.5° | 103.2° |
| C17 | C13 | H20 | 109.5° | 110.9° |
| C13 | C17 | H21 | 110.0° | 110.7° |
| C13 | C17 | H22 | 110.0° | 110.7° |
| C02 | N03 | C04 | 123.1° | 120.0° |
| C02 | N03 | H26 | 118.4° | 120.0° |
| C17 | C16 | H14 | 126.9° | 125.0° |
| C16 | C17 | H21 | 110.0° | 110.6° |
| C16 | C17 | H22 | 110.0° | 110.7° |
| C12 | C11 | N10 | 111.0° | 109.5° |
| C12 | C11 | C19 | 111.4° | 109.4° |
| C11 | C12 | H12 | 107.8° | 109.5° |
| C11 | C12 | H13 | 107.8° | 109.5° |
| C12 | C11 | H19 | 108.0° | 109.4° |
| C07 | C06 | C05 | 110.8° | 109.4° |
| C07 | C06 | C08 | 111.2° | 109.5° |
| C07 | C06 | H5 | 107.4° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.4° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C07 | H8 | 109.5° | 109.5° |
| N03 | C04 | C09 | 108.3° | 109.5° |
| N03 | C04 | C05 | 114.5° | 109.5° |
| N03 | C04 | H2 | 108.3° | 109.5° |
| C04 | N03 | H26 | 118.5° | 120.0° |
| C09 | C04 | C05 | 110.7° | 109.5° |
| C04 | C09 | N10 | 124.0° | 120.0° |
| C04 | C09 | O21 | 115.8° | 119.9° |
| C09 | C04 | H2 | 107.1° | 109.5° |
| C04 | C05 | C06 | 115.5° | 109.5° |
| C05 | C04 | H2 | 107.6° | 109.4° |
| C04 | C05 | H3 | 107.9° | 109.5° |
| C04 | C05 | H4 | 108.0° | 109.5° |
| C09 | N10 | C11 | 125.6° | 120.0° |
| N10 | C09 | O21 | 120.3° | 120.0° |
| C09 | N10 | H27 | 117.2° | 120.0° |
| N10 | C11 | C19 | 108.3° | 109.5° |
| N10 | C11 | H19 | 109.1° | 109.5° |
| C11 | N10 | H27 | 117.2° | 120.0° |
| C11 | C19 | O20 | 107.3° | 109.5° |
| C11 | C19 | S1 | 110.6° | 109.5° |
| C11 | C19 | H16 | 106.6° | 109.5° |
| C19 | C11 | H19 | 108.9° | 109.5° |
| C05 | C06 | C08 | 112.7° | 109.5° |
| C06 | C05 | H3 | 108.0° | 109.4° |
| C06 | C05 | H4 | 107.9° | 109.5° |
| C05 | C06 | H5 | 107.4° | 109.5° |
| C08 | C06 | H5 | 107.1° | 109.5° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| C06 | C08 | H11 | 109.4° | 109.5° |
| O20 | C19 | S1 | 110.6° | 109.5° |
| O20 | C19 | H16 | 107.6° | 109.5° |
| C19 | O20 | H28 | 109.5° | 114.1° |
| H3 | C05 | H4 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.4° | 109.4° |
| H6 | C07 | H8 | 109.5° | 109.4° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H9 | C08 | H11 | 109.5° | 109.4° |
| H10 | C08 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| S1 | C19 | H16 | 113.7° | 109.5° |
| C19 | S1 | O1 | 138.3° | 110.5° |
| C19 | S1 | O2 | 138.3° | 110.5° |
| C19 | S1 | O3 | 138.3° | 104.4° |
| H21 | C17 | H22 | 109.5° | 110.7° |
| H23 | C23 | H24 | 109.5° | 109.4° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H15 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F26 | C25 | C27 | C24 | 179.6° | 179.9° |
| F26 | C25 | C27 | C28 | 179.8° | 179.9° |
| F26 | C25 | C24 | C23 | 0.3° | 0.4° |
| F26 | C25 | C24 | C30 | 179.7° | 179.9° |
| F26 | C25 | C27 | H25 | 0.2° | 0.1° |
| O18 | C14 | N15 | C13 | 179.0° | 179.8° |
| O18 | C14 | N15 | C16 | 179.7° | 179.8° |
| O18 | C14 | C13 | C12 | 59.3° | 62.0° |
| O18 | C14 | C13 | C17 | 176.9° | 179.8° |
| O18 | C14 | C13 | H20 | 66.7° | 61.3° |
| C25 | C27 | C28 | H25 | 180.0° | 180.0° |
| C27 | C25 | C24 | C23 | 179.9° | 179.7° |
| C27 | C25 | C24 | C30 | 0.0° | 0.0° |
| C25 | C27 | C28 | C29 | 0.1° | 0.0° |
| C25 | C27 | C28 | H1 | 179.9° | 180.0° |
| C24 | C25 | C27 | C28 | 0.1° | 0.0° |
| C25 | C24 | C23 | C30 | 179.9° | 179.7° |
| C25 | C24 | C23 | O22 | 101.3° | 179.7° |
| C25 | C24 | C30 | C29 | 0.1° | 0.0° |
| C25 | C24 | C30 | H18 | 180.0° | 179.9° |
| C25 | C24 | C23 | H23 | 19.6° | 59.6° |
| C25 | C24 | C23 | H24 | 137.9° | 60.3° |
| C24 | C25 | C27 | H25 | 179.9° | 180.0° |
| C27 | C28 | C29 | H1 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C27 | C28 | C29 | H17 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 121.7° | 118.3° |
| N15 | C14 | C13 | C17 | 4.1° | 0.0° |
| C14 | N15 | C16 | C17 | 2.9° | 0.0° |
| C14 | N15 | C16 | H14 | 177.1° | 180.0° |
| N15 | C14 | C13 | H20 | 112.2° | 118.5° |
| C13 | C14 | N15 | C16 | 0.8° | 0.0° |
| C14 | C13 | C12 | C17 | 115.3° | 113.3° |
| C14 | C13 | C12 | H20 | 126.1° | 123.3° |
| C14 | C13 | C17 | H20 | 116.4° | 118.5° |
| C14 | C13 | C17 | C16 | 5.6° | 0.0° |
| C14 | C13 | C12 | C11 | 178.2° | 175.8° |
| C14 | C13 | C12 | H12 | 60.9° | 55.9° |
| C14 | C13 | C12 | H13 | 57.2° | 64.1° |
| C14 | C13 | C17 | H21 | 114.0° | 118.4° |
| C14 | C13 | C17 | H22 | 125.4° | 118.4° |
| C24 | C23 | O22 | H23 | 120.8° | 120.1° |
| C24 | C23 | O22 | H24 | 120.9° | 120.0° |
| C23 | C24 | C30 | C29 | 180.0° | 179.7° |
| C24 | C23 | O22 | C02 | 167.6° | 180.0° |
| C23 | C24 | C30 | H18 | 0.0° | 0.3° |
| C24 | C23 | H23 | H24 | 117.4° | 119.9° |
| O22 | C23 | C24 | C30 | 78.8° | 0.1° |
| C23 | O22 | C02 | O01 | 89.3° | 0.1° |
| C23 | O22 | C02 | N03 | 90.2° | 180.0° |
| O22 | C23 | H23 | H24 | 117.4° | 120.0° |
| C24 | C30 | C29 | C28 | 0.0° | 0.1° |
| C24 | C30 | C29 | H18 | 180.0° | 180.0° |
| C24 | C30 | C29 | H17 | 179.9° | 180.0° |
| C30 | C24 | C23 | H23 | 160.4° | 120.0° |
| C30 | C24 | C23 | H24 | 42.0° | 120.1° |
| N15 | C16 | C17 | C13 | 5.5° | 0.0° |
| N15 | C16 | C17 | H14 | 180.0° | 180.0° |
| N15 | C16 | C17 | H21 | 114.2° | 118.5° |
| N15 | C16 | C17 | H22 | 125.1° | 118.4° |
| C28 | C29 | C30 | H17 | 180.0° | 179.9° |
| C28 | C29 | C30 | H18 | 180.0° | 180.0° |
| C29 | C28 | C27 | H25 | 179.9° | 180.0° |
| O01 | C02 | O22 | N03 | 179.5° | 179.9° |
| O01 | C02 | N03 | C04 | 5.6° | 4.9° |
| O01 | C02 | N03 | H26 | 174.4° | 175.0° |
| C30 | C29 | C28 | H1 | 180.0° | 180.0° |
| O22 | C02 | N03 | C04 | 175.0° | 175.0° |
| C02 | O22 | C23 | H23 | 71.6° | 59.9° |
| C02 | O22 | C23 | H24 | 46.7° | 60.0° |
| O22 | C02 | N03 | H26 | 5.0° | 5.1° |
| C12 | C13 | C17 | H20 | 118.5° | 123.3° |
| C12 | C13 | C17 | C16 | 130.7° | 118.3° |
| C13 | C12 | C11 | H12 | 121.0° | 120.0° |
| C13 | C12 | C11 | H13 | 121.0° | 120.0° |
| C13 | C12 | C11 | N10 | 57.1° | 64.4° |
| C13 | C12 | C11 | C19 | 177.9° | 175.6° |
| C13 | C12 | H12 | H13 | 116.9° | 120.0° |
| C13 | C12 | C11 | H19 | 62.5° | 55.6° |
| C12 | C13 | C17 | H21 | 11.0° | 123.3° |
| C12 | C13 | C17 | H22 | 109.6° | 0.1° |
| C13 | C17 | C16 | H21 | 119.7° | 118.4° |
| C13 | C17 | C16 | H22 | 119.7° | 118.5° |
| C17 | C13 | C12 | C11 | 66.5° | 70.9° |
| C17 | C13 | C12 | H12 | 54.5° | 169.1° |
| C17 | C13 | C12 | H13 | 172.5° | 49.1° |
| C13 | C17 | C16 | H14 | 174.6° | 180.0° |
| C13 | C17 | H21 | H22 | 120.9° | 123.2° |
| C02 | N03 | C04 | H26 | 180.0° | 179.9° |
| C02 | N03 | C04 | C09 | 52.1° | 151.4° |
| C02 | N03 | C04 | C05 | 176.2° | 88.6° |
| C02 | N03 | C04 | H2 | 63.7° | 31.4° |
| C16 | C17 | C13 | H20 | 110.8° | 118.4° |
| C16 | C17 | H21 | H22 | 121.0° | 123.1° |
| C12 | C11 | N10 | C09 | 110.6° | 155.9° |
| C12 | C11 | N10 | C19 | 122.7° | 120.0° |
| C12 | C11 | N10 | H19 | 119.0° | 120.0° |
| C12 | C11 | C19 | H19 | 119.1° | 120.0° |
| C12 | C11 | C19 | O20 | 176.4° | 175.0° |
| C11 | C12 | H12 | H13 | 117.0° | 120.1° |
| C12 | C11 | C19 | S1 | 62.8° | 65.0° |
| C12 | C11 | C19 | H16 | 61.3° | 55.0° |
| C11 | C12 | C13 | H20 | 52.1° | 52.5° |
| C12 | C11 | N10 | H27 | 69.4° | 24.1° |
| C07 | C06 | C05 | C04 | 67.4° | 66.2° |
| C07 | C06 | C05 | C08 | 125.3° | 120.0° |
| C07 | C06 | C05 | H5 | 117.0° | 120.0° |
| C07 | C06 | C08 | H5 | 117.0° | 120.0° |
| C07 | C06 | C05 | H3 | 171.7° | 53.8° |
| C07 | C06 | C05 | H4 | 53.5° | 173.8° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.1° |
| C07 | C06 | C08 | H9 | 180.0° | 179.9° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| C07 | C06 | C08 | H11 | 60.0° | 60.0° |
| N03 | C04 | C09 | C05 | 126.4° | 120.0° |
| N03 | C04 | C09 | H2 | 116.7° | 120.0° |
| N03 | C04 | C05 | H2 | 120.5° | 120.0° |
| N03 | C04 | C09 | N10 | 138.2° | 168.7° |
| N03 | C04 | C09 | O21 | 40.9° | 11.3° |
| N03 | C04 | C05 | C06 | 59.5° | 170.4° |
| N03 | C04 | C05 | H3 | 61.4° | 50.4° |
| N03 | C04 | C05 | H4 | 179.6° | 69.6° |
| C09 | C04 | C05 | H2 | 116.7° | 120.0° |
| C04 | C09 | N10 | O21 | 179.1° | 180.0° |
| C04 | C09 | N10 | C11 | 179.9° | 174.3° |
| C09 | C04 | C05 | C06 | 177.7° | 69.6° |
| C09 | C04 | C05 | H3 | 61.4° | 170.4° |
| C09 | C04 | C05 | H4 | 56.8° | 50.4° |
| C09 | C04 | N03 | H26 | 127.9° | 28.5° |
| C04 | C09 | N10 | H27 | 0.1° | 5.7° |
| C05 | C04 | C09 | N10 | 95.4° | 71.3° |
| C05 | C04 | C09 | O21 | 85.5° | 108.8° |
| C04 | C05 | C06 | H3 | 120.9° | 120.0° |
| C04 | C05 | C06 | H4 | 120.9° | 120.0° |
| C04 | C05 | C06 | C08 | 167.3° | 173.8° |
| C04 | C05 | H3 | H4 | 117.3° | 120.0° |
| C04 | C05 | C06 | H5 | 49.6° | 53.8° |
| C05 | C04 | N03 | H26 | 3.8° | 91.5° |
| C09 | N10 | C11 | H27 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 126.8° | 84.1° |
| N10 | C09 | C04 | H2 | 21.6° | 48.7° |
| C09 | N10 | C11 | H19 | 8.4° | 35.9° |
| C11 | N10 | C09 | O21 | 1.0° | 5.7° |
| N10 | C11 | C19 | H19 | 118.5° | 120.0° |
| N10 | C11 | C19 | O20 | 61.2° | 65.0° |
| N10 | C11 | C12 | H12 | 178.1° | 55.6° |
| N10 | C11 | C12 | H13 | 63.9° | 175.6° |
| N10 | C11 | C19 | S1 | 59.6° | 55.0° |
| N10 | C11 | C19 | H16 | 176.3° | 175.0° |
| O21 | C09 | C04 | H2 | 157.6° | 131.3° |
| O21 | C09 | N10 | H27 | 179.0° | 174.3° |
| C11 | C19 | O20 | S1 | 120.8° | 120.0° |
| C11 | C19 | O20 | H16 | 114.4° | 120.0° |
| C19 | C11 | C12 | H12 | 61.1° | 64.4° |
| C19 | C11 | C12 | H13 | 57.0° | 55.6° |
| C11 | C19 | S1 | H16 | 119.9° | 120.0° |
| C19 | C11 | N10 | H27 | 53.2° | 95.8° |
| C11 | C19 | O20 | H28 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 75.7° | 68.4° |
| C11 | C19 | S1 | O2 | 75.7° | 68.4° |
| C11 | C19 | S1 | O3 | 75.7° | 180.0° |
| C05 | C06 | C08 | H5 | 117.9° | 120.0° |
| C06 | C05 | C04 | H2 | 61.0° | 50.4° |
| C06 | C05 | H3 | H4 | 117.2° | 120.0° |
| C05 | C06 | C07 | H6 | 180.0° | 176.3° |
| C05 | C06 | C07 | H7 | 60.0° | 56.3° |
| C05 | C06 | C07 | H8 | 60.0° | 63.8° |
| C05 | C06 | C08 | H9 | 54.9° | 59.9° |
| C05 | C06 | C08 | H10 | 65.1° | 180.0° |
| C05 | C06 | C08 | H11 | 174.9° | 60.0° |
| C08 | C06 | C05 | H3 | 46.4° | 66.2° |
| C08 | C06 | C05 | H4 | 71.8° | 53.8° |
| C08 | C06 | C07 | H6 | 53.8° | 63.7° |
| C08 | C06 | C07 | H7 | 66.1° | 176.3° |
| C08 | C06 | C07 | H8 | 173.9° | 56.2° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H11 | 120.0° | 120.0° |
| C06 | C08 | H10 | H11 | 120.0° | 120.0° |
| O20 | C19 | S1 | H16 | 121.3° | 120.0° |
| O20 | C19 | C11 | H19 | 57.3° | 55.0° |
| O20 | C19 | S1 | O1 | 165.5° | 171.6° |
| O20 | C19 | S1 | O2 | 165.5° | 51.6° |
| O20 | C19 | S1 | O3 | 165.5° | 60.0° |
| H1 | C28 | C29 | H17 | 0.0° | 0.1° |
| H1 | C28 | C27 | H25 | 0.1° | 0.0° |
| H2 | C04 | C05 | H3 | 178.2° | 69.6° |
| H2 | C04 | C05 | H4 | 59.9° | 170.4° |
| H2 | C04 | N03 | H26 | 116.3° | 148.5° |
| H3 | C05 | C06 | H5 | 71.2° | 173.8° |
| H4 | C05 | C06 | H5 | 170.5° | 66.2° |
| H5 | C06 | C07 | H6 | 63.0° | 56.3° |
| H5 | C06 | C07 | H7 | 177.1° | 63.7° |
| H5 | C06 | C07 | H8 | 57.1° | 176.3° |
| H5 | C06 | C08 | H9 | 63.0° | 60.1° |
| H5 | C06 | C08 | H10 | 177.0° | 60.0° |
| H5 | C06 | C08 | H11 | 57.0° | 180.0° |
| H6 | C07 | H7 | H8 | 120.0° | 120.0° |
| H9 | C08 | H10 | H11 | 120.0° | 120.0° |
| H12 | C12 | C11 | H19 | 58.4° | 175.6° |
| H12 | C12 | C13 | H20 | 173.0° | 67.5° |
| H13 | C12 | C11 | H19 | 176.5° | 64.4° |
| H13 | C12 | C13 | H20 | 68.9° | 172.6° |
| H14 | C16 | C17 | H21 | 65.8° | 61.6° |
| H14 | C16 | C17 | H22 | 54.9° | 61.5° |
| S1 | C19 | C11 | H19 | 178.1° | 175.0° |
| S1 | C19 | O20 | H28 | 59.2° | 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 | H15 | 90.0° | 180.0° |
| H16 | C19 | C11 | H19 | 57.7° | 65.0° |
| H16 | C19 | O20 | H28 | 65.6° | 180.0° |
| H16 | C19 | S1 | O1 | 44.2° | 51.6° |
| H16 | C19 | S1 | O2 | 44.2° | 171.6° |
| H16 | C19 | S1 | O3 | 44.2° | 60.0° |
| H17 | C29 | C30 | H18 | 0.0° | 0.1° |
| H19 | C11 | N10 | H27 | 171.6° | 144.1° |
| H20 | C13 | C17 | H21 | 129.5° | 0.0° |
| H20 | C13 | C17 | H22 | 8.9° | 123.1° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H15 | 90.0° | 63.9° |
| O2 | S1 | O3 | H15 | 90.0° | 63.9° |
