YLS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C14 | doub | 1.21Å | 1.24Å | |
| C14 | N15 | sing | 1.34Å | 1.38Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | O22 | sing | 1.45Å | 1.44Å | |
| C29 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | O22 | sing | 1.35Å | 1.42Å | |
| C02 | N03 | sing | 1.35Å | 1.39Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C08 | C06 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| C27 | F28 | sing | 1.35Å | 1.35Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| N10 | C09 | sing | 1.35Å | 1.35Å | |
| C04 | C09 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C11 | C19 | sing | 1.53Å | 1.51Å | |
| C09 | O21 | doub | 1.21Å | 1.25Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| N03 | H27 | sing | 0.97Å | 1.00Å | |
| N10 | H28 | sing | 0.97Å | 1.00Å | |
| N15 | H29 | sing | 0.97Å | 1.00Å | |
| O20 | H30 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.15Å | |
| S1 | O2 | doub | 1.42Å | 34.15Å | |
| S1 | O3 | sing | 1.52Å | 34.15Å | |
| O3 | H6 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C14 | N15 | 121.5° | 124.9° |
| O18 | C14 | C13 | 127.3° | 124.9° |
| N15 | C14 | C13 | 111.2° | 110.1° |
| C14 | N15 | C16 | 111.1° | 111.3° |
| C14 | N15 | H29 | 124.4° | 124.3° |
| C14 | C13 | C12 | 111.1° | 110.5° |
| C14 | C13 | C17 | 103.2° | 104.2° |
| C14 | C13 | H4 | 111.2° | 110.6° |
| N15 | C16 | C17 | 104.7° | 105.5° |
| N15 | C16 | H9 | 110.7° | 110.2° |
| N15 | C16 | H10 | 110.6° | 110.3° |
| C16 | N15 | H29 | 124.4° | 124.4° |
| O01 | C02 | O22 | 121.9° | 120.0° |
| O01 | C02 | N03 | 122.7° | 120.0° |
| C29 | C30 | C24 | 123.2° | 120.1° |
| C30 | C29 | C27 | 118.4° | 119.9° |
| C30 | C29 | H25 | 120.8° | 120.1° |
| C29 | C30 | H26 | 118.4° | 120.0° |
| C30 | C24 | C23 | 120.8° | 120.0° |
| C30 | C24 | C25 | 116.0° | 120.0° |
| C24 | C30 | H26 | 118.4° | 120.0° |
| C24 | C23 | O22 | 111.8° | 109.5° |
| C23 | C24 | C25 | 123.1° | 120.0° |
| C24 | C23 | H13 | 108.9° | 109.5° |
| C24 | C23 | H14 | 108.9° | 109.5° |
| C23 | O22 | C02 | 117.3° | 117.0° |
| O22 | C23 | H13 | 108.9° | 109.4° |
| O22 | C23 | H14 | 108.9° | 109.5° |
| C29 | C27 | F28 | 118.3° | 120.0° |
| C29 | C27 | C26 | 122.0° | 120.0° |
| C27 | C29 | H25 | 120.8° | 120.0° |
| C12 | C13 | C17 | 109.4° | 110.5° |
| C13 | C12 | C11 | 113.6° | 109.5° |
| C13 | C12 | H2 | 108.4° | 109.5° |
| C13 | C12 | H3 | 108.4° | 109.5° |
| C12 | C13 | H4 | 110.9° | 110.4° |
| C13 | C17 | C16 | 106.4° | 101.8° |
| C17 | C13 | H4 | 110.8° | 110.5° |
| C13 | C17 | H7 | 110.2° | 111.0° |
| C13 | C17 | H8 | 110.2° | 111.0° |
| C24 | C25 | C26 | 122.8° | 120.0° |
| C24 | C25 | H12 | 118.6° | 120.0° |
| O22 | C02 | N03 | 115.4° | 120.0° |
| C02 | N03 | C04 | 119.9° | 120.0° |
| C02 | N03 | H27 | 120.0° | 120.0° |
| C16 | C17 | H7 | 110.3° | 110.9° |
| C16 | C17 | H8 | 110.3° | 110.9° |
| C17 | C16 | H9 | 110.6° | 110.3° |
| C17 | C16 | H10 | 110.7° | 110.3° |
| C08 | C06 | C05 | 110.3° | 109.4° |
| C08 | C06 | C07 | 109.5° | 109.5° |
| C08 | C06 | H18 | 108.5° | 109.4° |
| C06 | C08 | H22 | 109.5° | 109.5° |
| C06 | C08 | H23 | 109.5° | 109.5° |
| C06 | C08 | H24 | 109.5° | 109.5° |
| C12 | C11 | N10 | 109.0° | 109.4° |
| C12 | C11 | C19 | 112.3° | 109.5° |
| C12 | C11 | H1 | 107.9° | 109.5° |
| C11 | C12 | H2 | 108.4° | 109.5° |
| C11 | C12 | H3 | 108.5° | 109.4° |
| N03 | C04 | C09 | 108.4° | 109.5° |
| N03 | C04 | C05 | 115.3° | 109.5° |
| N03 | C04 | H15 | 107.3° | 109.5° |
| C04 | N03 | H27 | 120.1° | 120.0° |
| F28 | C27 | C26 | 119.7° | 120.0° |
| C27 | C26 | C25 | 117.5° | 120.0° |
| C27 | C26 | H11 | 121.2° | 120.0° |
| C11 | N10 | C09 | 125.0° | 120.0° |
| N10 | C11 | C19 | 110.4° | 109.4° |
| N10 | C11 | H1 | 109.1° | 109.5° |
| C11 | N10 | H28 | 117.5° | 120.0° |
| N10 | C09 | C04 | 122.1° | 120.0° |
| N10 | C09 | O21 | 119.1° | 120.0° |
| C09 | N10 | H28 | 117.5° | 120.0° |
| C09 | C04 | C05 | 112.4° | 109.5° |
| C04 | C09 | O21 | 118.8° | 120.0° |
| C09 | C04 | H15 | 106.3° | 109.5° |
| C04 | C05 | C06 | 118.0° | 109.5° |
| C05 | C04 | H15 | 106.7° | 109.4° |
| C04 | C05 | H16 | 107.3° | 109.4° |
| C04 | C05 | H17 | 107.3° | 109.4° |
| C25 | C26 | H11 | 121.2° | 120.0° |
| C26 | C25 | H12 | 118.6° | 120.0° |
| C05 | C06 | C07 | 112.1° | 109.5° |
| C06 | C05 | H16 | 107.3° | 109.5° |
| C06 | C05 | H17 | 107.3° | 109.5° |
| C05 | C06 | H18 | 108.4° | 109.5° |
| C07 | C06 | H18 | 108.0° | 109.5° |
| C06 | C07 | H19 | 109.5° | 109.4° |
| C06 | C07 | H20 | 109.4° | 109.5° |
| C06 | C07 | H21 | 109.4° | 109.5° |
| C11 | C19 | O20 | 108.8° | 109.5° |
| C19 | C11 | H1 | 108.2° | 109.5° |
| C11 | C19 | H5 | 106.8° | 109.5° |
| C11 | C19 | S1 | 109.6° | 109.5° |
| O20 | C19 | H5 | 107.8° | 109.5° |
| O20 | C19 | S1 | 109.6° | 109.5° |
| C19 | O20 | H30 | 109.5° | 114.0° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H5 | C19 | S1 | 114.0° | 109.5° |
| C19 | S1 | O1 | 142.0° | 110.5° |
| C19 | S1 | O2 | 142.0° | 110.5° |
| C19 | S1 | O3 | 142.0° | 104.4° |
| H7 | C17 | H8 | 109.5° | 110.9° |
| H9 | C16 | H10 | 109.5° | 110.2° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H16 | C05 | H17 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.5° | 109.5° |
| H19 | C07 | H21 | 109.5° | 109.5° |
| H20 | C07 | H21 | 109.5° | 109.5° |
| H22 | C08 | H23 | 109.5° | 109.4° |
| H22 | C08 | H24 | 109.4° | 109.5° |
| H23 | C08 | H24 | 109.4° | 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 | H6 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C14 | N15 | C13 | 178.2° | 180.0° |
| O18 | C14 | N15 | C16 | 179.3° | 179.6° |
| O18 | C14 | C13 | C12 | 52.6° | 45.1° |
| O18 | C14 | C13 | C17 | 169.7° | 163.8° |
| O18 | C14 | C13 | H4 | 71.5° | 77.5° |
| O18 | C14 | N15 | H29 | 0.7° | 0.4° |
| C14 | N15 | C16 | H29 | 180.0° | 179.9° |
| N15 | C14 | C13 | C12 | 129.3° | 134.9° |
| N15 | C14 | C13 | C17 | 12.2° | 16.2° |
| C14 | N15 | C16 | C17 | 10.6° | 17.0° |
| N15 | C14 | C13 | H4 | 106.6° | 102.5° |
| C14 | N15 | C16 | H9 | 108.6° | 136.1° |
| C14 | N15 | C16 | H10 | 129.9° | 102.0° |
| C13 | C14 | N15 | C16 | 1.1° | 0.4° |
| C14 | C13 | C12 | C17 | 113.2° | 114.8° |
| C14 | C13 | C12 | H4 | 124.3° | 122.7° |
| C14 | C13 | C17 | H4 | 119.1° | 118.8° |
| C14 | C13 | C17 | C16 | 18.1° | 24.8° |
| C14 | C13 | C12 | C11 | 179.9° | 178.2° |
| C14 | C13 | C12 | H2 | 59.6° | 58.2° |
| C14 | C13 | C12 | H3 | 59.3° | 61.8° |
| C14 | C13 | C17 | H7 | 101.4° | 93.3° |
| C14 | C13 | C17 | H8 | 137.6° | 142.9° |
| C13 | C14 | N15 | H29 | 178.9° | 179.6° |
| N15 | C16 | C17 | C13 | 17.8° | 25.4° |
| N15 | C16 | C17 | H9 | 119.2° | 119.0° |
| N15 | C16 | C17 | H10 | 119.2° | 119.1° |
| N15 | C16 | C17 | H7 | 101.7° | 92.7° |
| N15 | C16 | C17 | H8 | 137.3° | 143.6° |
| N15 | C16 | H9 | H10 | 122.2° | 122.0° |
| O01 | C02 | O22 | C23 | 5.0° | 0.1° |
| O01 | C02 | O22 | N03 | 179.1° | 180.0° |
| O01 | C02 | N03 | C04 | 30.2° | 5.0° |
| O01 | C02 | N03 | H27 | 149.8° | 175.0° |
| C29 | C30 | C24 | H26 | 180.0° | 179.7° |
| C29 | C30 | C24 | C23 | 179.2° | 179.8° |
| C30 | C29 | C27 | H25 | 180.0° | 180.0° |
| C29 | C30 | C24 | C25 | 1.2° | 0.3° |
| C30 | C29 | C27 | F28 | 179.7° | 180.0° |
| C30 | C29 | C27 | C26 | 0.4° | 0.0° |
| C30 | C24 | C23 | C25 | 177.8° | 180.0° |
| C30 | C24 | C23 | O22 | 179.6° | 90.0° |
| C24 | C30 | C29 | C27 | 0.7° | 0.3° |
| C30 | C24 | C25 | C26 | 1.4° | 0.0° |
| C30 | C24 | C25 | H12 | 178.6° | 180.0° |
| C30 | C24 | C23 | H13 | 60.0° | 30.0° |
| C30 | C24 | C23 | H14 | 59.3° | 150.0° |
| C24 | C30 | C29 | H25 | 179.2° | 179.7° |
| C24 | C23 | O22 | H13 | 120.4° | 119.9° |
| C24 | C23 | O22 | H14 | 120.3° | 120.1° |
| C24 | C23 | O22 | C02 | 120.1° | 180.0° |
| C23 | C24 | C25 | C26 | 179.3° | 180.0° |
| C23 | C24 | C25 | H12 | 0.7° | 0.0° |
| C24 | C23 | H13 | H14 | 118.9° | 120.1° |
| C23 | C24 | C30 | H26 | 0.9° | 0.1° |
| O22 | C23 | C24 | C25 | 2.6° | 90.1° |
| C23 | O22 | C02 | N03 | 174.2° | 180.0° |
| O22 | C23 | H13 | H14 | 118.9° | 120.0° |
| C29 | C27 | F28 | C26 | 179.4° | 179.9° |
| C29 | C27 | C26 | C25 | 0.5° | 0.2° |
| C29 | C27 | C26 | H11 | 179.5° | 180.0° |
| C27 | C29 | C30 | H26 | 179.3° | 180.0° |
| C12 | C13 | C17 | H4 | 122.5° | 122.5° |
| C12 | C13 | C17 | C16 | 136.4° | 143.5° |
| C13 | C12 | C11 | H2 | 120.6° | 120.1° |
| C13 | C12 | C11 | H3 | 120.6° | 120.0° |
| C13 | C12 | C11 | N10 | 59.2° | 64.5° |
| C13 | C12 | C11 | C19 | 178.2° | 175.6° |
| C13 | C12 | C11 | H1 | 59.1° | 55.5° |
| C13 | C12 | H2 | H3 | 118.1° | 120.0° |
| C12 | C13 | C17 | H7 | 16.9° | 25.4° |
| C12 | C13 | C17 | H8 | 104.0° | 98.4° |
| C13 | C17 | C16 | H7 | 119.5° | 118.1° |
| C13 | C17 | C16 | H8 | 119.5° | 118.2° |
| C17 | C13 | C12 | C11 | 66.9° | 67.0° |
| C17 | C13 | C12 | H2 | 53.7° | 172.9° |
| C17 | C13 | C12 | H3 | 172.5° | 52.9° |
| C13 | C17 | H7 | H8 | 121.4° | 123.8° |
| C13 | C17 | C16 | H9 | 101.4° | 144.4° |
| C13 | C17 | C16 | H10 | 137.0° | 93.7° |
| C24 | C25 | C26 | C27 | 1.1° | 0.2° |
| C24 | C25 | C26 | H12 | 180.0° | 180.0° |
| C24 | C25 | C26 | H11 | 178.9° | 180.0° |
| C25 | C24 | C23 | H13 | 117.8° | 150.0° |
| C25 | C24 | C23 | H14 | 122.9° | 30.0° |
| C25 | C24 | C30 | H26 | 178.8° | 180.0° |
| O22 | C02 | N03 | C04 | 149.0° | 174.9° |
| C02 | O22 | C23 | H13 | 0.3° | 60.1° |
| C02 | O22 | C23 | H14 | 119.6° | 59.9° |
| O22 | C02 | N03 | H27 | 31.0° | 5.1° |
| C02 | N03 | C04 | H27 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 67.7° | 151.5° |
| C02 | N03 | C04 | C05 | 165.3° | 88.6° |
| C02 | N03 | C04 | H15 | 46.7° | 31.4° |
| C16 | C17 | C13 | H4 | 101.0° | 94.0° |
| C16 | C17 | H7 | H8 | 121.5° | 123.7° |
| C17 | C16 | H9 | H10 | 122.2° | 122.0° |
| C17 | C16 | N15 | H29 | 169.4° | 163.0° |
| C08 | C06 | C05 | C04 | 70.2° | 174.2° |
| C08 | C06 | C05 | C07 | 122.4° | 120.0° |
| C08 | C06 | C05 | H18 | 118.6° | 119.9° |
| C08 | C06 | C07 | H18 | 117.9° | 120.0° |
| C08 | C06 | C05 | H16 | 168.6° | 65.9° |
| C08 | C06 | C05 | H17 | 51.0° | 54.2° |
| C08 | C06 | C07 | H19 | 180.0° | 176.1° |
| C08 | C06 | C07 | H20 | 60.0° | 56.1° |
| C08 | C06 | C07 | H21 | 60.0° | 63.9° |
| C06 | C08 | H22 | H23 | 120.0° | 120.0° |
| C06 | C08 | H22 | H24 | 120.0° | 120.1° |
| C06 | C08 | H23 | H24 | 120.0° | 120.0° |
| C12 | C11 | N10 | C19 | 123.7° | 120.0° |
| C12 | C11 | N10 | H1 | 117.6° | 120.0° |
| C12 | C11 | N10 | C09 | 127.6° | 162.3° |
| C12 | C11 | C19 | H1 | 118.9° | 120.0° |
| C12 | C11 | C19 | O20 | 63.2° | 55.1° |
| C11 | C12 | H2 | H3 | 118.2° | 119.9° |
| C11 | C12 | C13 | H4 | 55.6° | 55.5° |
| C12 | C11 | C19 | H5 | 179.3° | 175.0° |
| C12 | C11 | C19 | S1 | 56.7° | 65.0° |
| C12 | C11 | N10 | H28 | 52.5° | 17.7° |
| N03 | C04 | C09 | N10 | 127.8° | 163.5° |
| N03 | C04 | C09 | C05 | 128.6° | 120.0° |
| N03 | C04 | C09 | H15 | 115.1° | 120.0° |
| N03 | C04 | C05 | H15 | 119.0° | 120.0° |
| N03 | C04 | C05 | C06 | 60.8° | 171.7° |
| N03 | C04 | C09 | O21 | 52.4° | 16.5° |
| N03 | C04 | C05 | H16 | 60.4° | 51.7° |
| N03 | C04 | C05 | H17 | 178.0° | 68.3° |
| F28 | C27 | C26 | C25 | 179.9° | 179.7° |
| F28 | C27 | C26 | H11 | 0.1° | 0.0° |
| F28 | C27 | C29 | H25 | 0.3° | 0.0° |
| C27 | C26 | C25 | H11 | 180.0° | 179.8° |
| C27 | C26 | C25 | H12 | 178.9° | 179.8° |
| C26 | C27 | C29 | H25 | 179.6° | 179.9° |
| C11 | N10 | C09 | H28 | 180.0° | 179.9° |
| C11 | N10 | C09 | C04 | 178.9° | 174.6° |
| N10 | C11 | C19 | H1 | 119.2° | 120.0° |
| C11 | N10 | C09 | O21 | 1.0° | 5.5° |
| N10 | C11 | C19 | O20 | 175.0° | 175.0° |
| N10 | C11 | C12 | H2 | 179.8° | 55.6° |
| N10 | C11 | C12 | H3 | 61.3° | 175.6° |
| N10 | C11 | C19 | H5 | 58.8° | 65.0° |
| N10 | C11 | C19 | S1 | 65.2° | 55.0° |
| N10 | C09 | C04 | O21 | 179.8° | 180.0° |
| N10 | C09 | C04 | C05 | 103.6° | 76.5° |
| C09 | N10 | C11 | C19 | 108.7° | 77.7° |
| C09 | N10 | C11 | H1 | 10.0° | 42.3° |
| N10 | C09 | C04 | H15 | 12.7° | 43.5° |
| C09 | C04 | C05 | H15 | 116.1° | 120.0° |
| C09 | C04 | C05 | C06 | 174.3° | 68.3° |
| C09 | C04 | C05 | H16 | 64.5° | 171.7° |
| C09 | C04 | C05 | H17 | 53.1° | 51.7° |
| C09 | C04 | N03 | H27 | 112.3° | 28.5° |
| C04 | C09 | N10 | H28 | 1.1° | 5.4° |
| C04 | C05 | C06 | H16 | 121.2° | 120.0° |
| C04 | C05 | C06 | H17 | 121.2° | 120.0° |
| C04 | C05 | C06 | C07 | 167.4° | 65.9° |
| C05 | C04 | C09 | O21 | 76.2° | 103.5° |
| C04 | C05 | H16 | H17 | 116.1° | 119.9° |
| C04 | C05 | C06 | H18 | 48.4° | 54.2° |
| C05 | C04 | N03 | H27 | 14.7° | 91.5° |
| C05 | C06 | C07 | H18 | 119.3° | 120.1° |
| C06 | C05 | C04 | H15 | 58.2° | 51.6° |
| C06 | C05 | H16 | H17 | 116.1° | 120.1° |
| C05 | C06 | C07 | H19 | 57.2° | 56.2° |
| C05 | C06 | C07 | H20 | 62.8° | 63.8° |
| C05 | C06 | C07 | H21 | 177.2° | 176.2° |
| C05 | C06 | C08 | H22 | 180.0° | 60.0° |
| C05 | C06 | C08 | H23 | 60.0° | 180.0° |
| C05 | C06 | C08 | H24 | 60.0° | 60.1° |
| C07 | C06 | C05 | H16 | 46.2° | 54.1° |
| C07 | C06 | C05 | H17 | 71.3° | 174.2° |
| C06 | C07 | H19 | H20 | 120.0° | 120.0° |
| C06 | C07 | H19 | H21 | 120.0° | 120.0° |
| C06 | C07 | H20 | H21 | 120.0° | 120.0° |
| C07 | C06 | C08 | H22 | 56.1° | 180.0° |
| C07 | C06 | C08 | H23 | 63.9° | 60.0° |
| C07 | C06 | C08 | H24 | 176.1° | 59.9° |
| C11 | C19 | O20 | H5 | 115.5° | 120.0° |
| C11 | C19 | O20 | S1 | 119.9° | 120.0° |
| C19 | C11 | C12 | H2 | 57.6° | 64.4° |
| C19 | C11 | C12 | H3 | 61.3° | 55.6° |
| C11 | C19 | H5 | S1 | 121.2° | 120.0° |
| C19 | C11 | N10 | H28 | 71.3° | 102.3° |
| C11 | C19 | O20 | H30 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 71.7° | 63.4° |
| C11 | C19 | S1 | O2 | 71.7° | 73.4° |
| C11 | C19 | S1 | O3 | 71.7° | 175.0° |
| O21 | C09 | C04 | H15 | 167.5° | 136.6° |
| O21 | C09 | N10 | H28 | 179.1° | 174.6° |
| O20 | C19 | C11 | H1 | 55.7° | 65.0° |
| O20 | C19 | H5 | S1 | 121.9° | 120.0° |
| O20 | C19 | S1 | O1 | 47.7° | 56.6° |
| O20 | C19 | S1 | O2 | 47.7° | 166.6° |
| O20 | C19 | S1 | O3 | 47.7° | 55.0° |
| H1 | C11 | C12 | H2 | 61.5° | 175.6° |
| H1 | C11 | C12 | H3 | 179.7° | 64.4° |
| H1 | C11 | C19 | H5 | 60.4° | 55.0° |
| H1 | C11 | C19 | S1 | 175.6° | 175.0° |
| H1 | C11 | N10 | H28 | 170.0° | 137.6° |
| H2 | C12 | C13 | H4 | 176.2° | 64.5° |
| H3 | C12 | C13 | H4 | 65.0° | 175.4° |
| H4 | C13 | C17 | H7 | 139.5° | 147.9° |
| H4 | C13 | C17 | H8 | 18.5° | 24.1° |
| H5 | C19 | O20 | H30 | 64.5° | 180.0° |
| H5 | C19 | S1 | O1 | 168.6° | 176.6° |
| H5 | C19 | S1 | O2 | 168.6° | 46.6° |
| H5 | C19 | S1 | O3 | 168.6° | 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 | H6 | 90.0° | 179.9° |
| H7 | C17 | C16 | H9 | 139.0° | 26.3° |
| H7 | C17 | C16 | H10 | 17.5° | 148.2° |
| H8 | C17 | C16 | H9 | 18.1° | 97.4° |
| H8 | C17 | C16 | H10 | 103.5° | 24.5° |
| H9 | C16 | N15 | H29 | 71.4° | 44.0° |
| H10 | C16 | N15 | H29 | 50.1° | 77.9° |
| H11 | C26 | C25 | H12 | 1.1° | 0.0° |
| H15 | C04 | C05 | H16 | 179.4° | 68.4° |
| H15 | C04 | C05 | H17 | 63.0° | 171.7° |
| H15 | C04 | N03 | H27 | 133.3° | 148.5° |
| H16 | C05 | C06 | H18 | 72.8° | 174.2° |
| H17 | C05 | C06 | H18 | 169.6° | 65.7° |
| H18 | C06 | C07 | H19 | 62.1° | 63.9° |
| H18 | C06 | C07 | H20 | 177.9° | 176.1° |
| H18 | C06 | C07 | H21 | 57.9° | 56.1° |
| H18 | C06 | C08 | H22 | 61.5° | 59.9° |
| H18 | C06 | C08 | H23 | 178.5° | 60.0° |
| H18 | C06 | C08 | H24 | 58.5° | 180.0° |
| H19 | C07 | H20 | H21 | 120.0° | 120.0° |
| H22 | C08 | H23 | H24 | 119.9° | 120.0° |
| H25 | C29 | C30 | H26 | 0.8° | 0.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H6 | 90.0° | 64.0° |
| O2 | S1 | O3 | H6 | 90.0° | 63.9° |
