YLM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C14 | doub | 1.21Å | 1.24Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | O22 | sing | 1.45Å | 1.43Å | |
| C24 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.34Å | 1.38Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C27 | F28 | sing | 1.35Å | 1.35Å | |
| C27 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| O22 | C02 | sing | 1.35Å | 1.39Å | |
| C02 | N03 | sing | 1.35Å | 1.39Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C08 | C06 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| C04 | C09 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| N10 | C09 | sing | 1.35Å | 1.38Å | |
| N10 | C11 | sing | 1.47Å | 1.48Å | |
| C09 | O21 | doub | 1.21Å | 1.24Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C11 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.44Å | |
| 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 | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| 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 | 34.13Å | |
| S1 | O2 | doub | 1.42Å | 34.13Å | |
| S1 | O3 | sing | 1.52Å | 34.13Å | |
| O3 | H19 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C14 | N15 | 121.4° | 124.9° |
| O18 | C14 | C13 | 127.5° | 125.0° |
| C26 | C25 | C24 | 122.8° | 120.0° |
| C25 | C26 | C27 | 117.9° | 120.0° |
| C26 | C25 | H23 | 118.6° | 120.0° |
| C25 | C26 | H24 | 121.0° | 120.0° |
| C25 | C24 | C23 | 123.2° | 120.0° |
| C25 | C24 | C30 | 116.4° | 120.0° |
| C24 | C25 | H23 | 118.6° | 120.0° |
| C26 | C27 | F28 | 119.6° | 120.0° |
| C26 | C27 | C29 | 121.7° | 120.0° |
| C27 | C26 | H24 | 121.0° | 120.0° |
| C24 | C23 | O22 | 109.5° | 109.4° |
| C23 | C24 | C30 | 120.5° | 120.0° |
| C24 | C23 | H21 | 109.5° | 109.5° |
| C24 | C23 | H22 | 109.5° | 109.5° |
| C23 | O22 | C02 | 117.3° | 117.0° |
| O22 | C23 | H21 | 109.5° | 109.5° |
| O22 | C23 | H22 | 109.5° | 109.5° |
| C24 | C30 | C29 | 123.0° | 120.0° |
| C24 | C30 | H26 | 118.5° | 120.0° |
| N15 | C14 | C13 | 111.1° | 110.1° |
| C14 | N15 | C16 | 111.1° | 111.3° |
| C14 | N15 | H29 | 124.4° | 124.4° |
| C14 | C13 | C12 | 111.1° | 110.5° |
| C14 | C13 | C17 | 103.2° | 104.2° |
| C14 | C13 | H4 | 111.2° | 110.6° |
| F28 | C27 | C29 | 118.7° | 120.0° |
| C27 | C29 | C30 | 118.2° | 120.0° |
| C27 | C29 | H25 | 120.9° | 120.0° |
| N15 | C16 | C17 | 104.9° | 105.5° |
| N15 | C16 | H5 | 110.6° | 110.2° |
| N15 | C16 | H6 | 110.6° | 110.3° |
| C16 | N15 | H29 | 124.5° | 124.4° |
| O01 | C02 | O22 | 120.6° | 120.0° |
| O01 | C02 | N03 | 124.1° | 120.0° |
| C30 | C29 | H25 | 120.9° | 120.0° |
| C29 | C30 | H26 | 118.5° | 120.0° |
| O22 | C02 | N03 | 115.3° | 120.0° |
| C02 | N03 | C04 | 122.1° | 120.0° |
| C02 | N03 | H27 | 118.9° | 120.0° |
| C12 | C13 | C17 | 109.2° | 110.5° |
| C13 | C12 | C11 | 115.4° | 109.5° |
| C13 | C12 | H2 | 107.9° | 109.4° |
| C13 | C12 | H3 | 108.0° | 109.5° |
| C12 | C13 | H4 | 111.1° | 110.4° |
| C13 | C17 | C16 | 106.4° | 101.8° |
| C17 | C13 | H4 | 110.9° | 110.5° |
| C13 | C17 | H7 | 110.2° | 111.0° |
| C13 | C17 | H8 | 110.2° | 111.0° |
| C17 | C16 | H5 | 110.6° | 110.3° |
| C17 | C16 | H6 | 110.6° | 110.3° |
| C16 | C17 | H7 | 110.2° | 111.0° |
| C16 | C17 | H8 | 110.3° | 111.0° |
| C08 | C06 | C05 | 109.6° | 109.5° |
| C08 | C06 | C07 | 109.9° | 109.5° |
| C08 | C06 | H12 | 108.4° | 109.5° |
| C06 | C08 | H16 | 109.5° | 109.5° |
| C06 | C08 | H17 | 109.5° | 109.5° |
| C06 | C08 | H18 | 109.5° | 109.5° |
| C12 | C11 | N10 | 109.3° | 109.5° |
| C12 | C11 | C19 | 110.7° | 109.5° |
| C12 | C11 | H1 | 108.1° | 109.5° |
| C11 | C12 | H2 | 108.0° | 109.5° |
| C11 | C12 | H3 | 108.0° | 109.5° |
| N03 | C04 | C09 | 109.9° | 109.4° |
| N03 | C04 | C05 | 113.7° | 109.5° |
| N03 | C04 | H9 | 107.6° | 109.5° |
| C04 | N03 | H27 | 118.9° | 120.1° |
| C09 | C04 | C05 | 111.4° | 109.5° |
| C04 | C09 | N10 | 121.0° | 120.0° |
| C04 | C09 | O21 | 117.5° | 120.0° |
| C09 | C04 | H9 | 106.8° | 109.5° |
| C04 | C05 | C06 | 117.4° | 109.5° |
| C05 | C04 | H9 | 107.0° | 109.4° |
| C04 | C05 | H10 | 107.5° | 109.5° |
| C04 | C05 | H11 | 107.5° | 109.5° |
| C09 | N10 | C11 | 127.4° | 120.0° |
| N10 | C09 | O21 | 121.5° | 120.0° |
| C09 | N10 | H28 | 116.3° | 120.0° |
| N10 | C11 | C19 | 111.4° | 109.4° |
| N10 | C11 | H1 | 108.9° | 109.4° |
| C11 | N10 | H28 | 116.3° | 119.9° |
| C05 | C06 | C07 | 112.4° | 109.5° |
| C06 | C05 | H10 | 107.4° | 109.5° |
| C06 | C05 | H11 | 107.4° | 109.4° |
| C05 | C06 | H12 | 108.4° | 109.5° |
| C07 | C06 | H12 | 108.0° | 109.5° |
| C06 | C07 | H13 | 109.5° | 109.5° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C06 | C07 | H15 | 109.5° | 109.4° |
| C11 | C19 | O20 | 106.9° | 109.5° |
| C19 | C11 | H1 | 108.3° | 109.5° |
| C11 | C19 | S1 | 110.7° | 109.5° |
| C11 | C19 | H20 | 106.5° | 109.5° |
| O20 | C19 | S1 | 110.7° | 109.4° |
| O20 | C19 | H20 | 107.6° | 109.5° |
| C19 | O20 | H30 | 109.5° | 114.0° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 110.2° |
| H7 | C17 | H8 | 109.5° | 110.8° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H13 | C07 | H14 | 109.4° | 109.5° |
| H13 | C07 | H15 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H16 | C08 | H18 | 109.5° | 109.4° |
| H17 | C08 | H18 | 109.5° | 109.5° |
| S1 | C19 | H20 | 114.0° | 109.5° |
| C19 | S1 | O1 | 136.4° | 110.6° |
| C19 | S1 | O2 | 136.4° | 110.6° |
| C19 | S1 | O3 | 136.4° | 104.4° |
| H21 | C23 | H22 | 109.4° | 109.5° |
| O1 | S1 | O2 | NaN° | 121.0° |
| O1 | S1 | O3 | NaN° | 104.3° |
| O2 | S1 | O3 | NaN° | 104.3° |
| S1 | O3 | H19 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C14 | N15 | C13 | 178.0° | 180.0° |
| O18 | C14 | N15 | C16 | 179.2° | 179.6° |
| O18 | C14 | C13 | C12 | 53.1° | 45.1° |
| O18 | C14 | C13 | C17 | 170.0° | 163.8° |
| O18 | C14 | C13 | H4 | 71.1° | 77.5° |
| O18 | C14 | N15 | H29 | 0.8° | 0.5° |
| C26 | C25 | C24 | H23 | 180.0° | 180.0° |
| C25 | C26 | C27 | H24 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 179.5° | 180.0° |
| C26 | C25 | C24 | C30 | 0.6° | 0.3° |
| C25 | C26 | C27 | F28 | 180.0° | 180.0° |
| C25 | C26 | C27 | C29 | 0.1° | 0.4° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C24 | C23 | C30 | 178.9° | 179.7° |
| C25 | C24 | C23 | O22 | 88.6° | 90.3° |
| C25 | C24 | C30 | C29 | 0.7° | 0.3° |
| C25 | C24 | C23 | H21 | 31.5° | 29.7° |
| C25 | C24 | C23 | H22 | 151.4° | 149.7° |
| C24 | C25 | C26 | H24 | 179.7° | 179.9° |
| C25 | C24 | C30 | H26 | 179.3° | 180.0° |
| C26 | C27 | F28 | C29 | 179.9° | 179.6° |
| C26 | C27 | C29 | C30 | 0.1° | 0.4° |
| C27 | C26 | C25 | H23 | 179.7° | 180.0° |
| C26 | C27 | C29 | H25 | 179.9° | 179.7° |
| C24 | C23 | O22 | H21 | 120.0° | 120.0° |
| C24 | C23 | O22 | H22 | 120.0° | 120.0° |
| C23 | C24 | C30 | C29 | 179.6° | 179.9° |
| C24 | C23 | O22 | C02 | 168.8° | 180.0° |
| C24 | C23 | H21 | H22 | 120.0° | 120.0° |
| C23 | C24 | C25 | H23 | 0.5° | 0.0° |
| C23 | C24 | C30 | H26 | 0.4° | 0.3° |
| O22 | C23 | C24 | C30 | 90.3° | 90.0° |
| C23 | O22 | C02 | O01 | 111.0° | 0.0° |
| C23 | O22 | C02 | N03 | 68.9° | 180.0° |
| O22 | C23 | H21 | H22 | 120.0° | 120.0° |
| C24 | C30 | C29 | C27 | 0.4° | 0.1° |
| C24 | C30 | C29 | H26 | 180.0° | 179.8° |
| C30 | C24 | C23 | H21 | 149.7° | 150.0° |
| C30 | C24 | C23 | H22 | 29.7° | 30.0° |
| C30 | C24 | C25 | H23 | 179.4° | 179.7° |
| C24 | C30 | C29 | H25 | 179.6° | 180.0° |
| C14 | N15 | C16 | H29 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 129.0° | 134.9° |
| N15 | C14 | C13 | C17 | 12.1° | 16.2° |
| C14 | N15 | C16 | C17 | 10.4° | 17.0° |
| N15 | C14 | C13 | H4 | 106.8° | 102.5° |
| C14 | N15 | C16 | H5 | 108.9° | 136.0° |
| C14 | N15 | C16 | H6 | 129.6° | 102.1° |
| C13 | C14 | N15 | C16 | 1.2° | 0.4° |
| C14 | C13 | C12 | C17 | 113.1° | 114.8° |
| C14 | C13 | C12 | H4 | 124.3° | 122.7° |
| C14 | C13 | C17 | H4 | 119.1° | 118.8° |
| C14 | C13 | C17 | C16 | 17.8° | 24.8° |
| C14 | C13 | C12 | C11 | 179.0° | 179.0° |
| C14 | C13 | C12 | H2 | 60.1° | 61.0° |
| C14 | C13 | C12 | H3 | 58.1° | 58.9° |
| C14 | C13 | C17 | H7 | 101.7° | 93.4° |
| C14 | C13 | C17 | H8 | 137.4° | 142.9° |
| C13 | C14 | N15 | H29 | 178.8° | 179.6° |
| F28 | C27 | C29 | C30 | 180.0° | 180.0° |
| F28 | C27 | C26 | H24 | 0.0° | 0.1° |
| F28 | C27 | C29 | H25 | 0.0° | 0.1° |
| C27 | C29 | C30 | H25 | 180.0° | 179.9° |
| C29 | C27 | C26 | H24 | 179.9° | 179.7° |
| C27 | C29 | C30 | H26 | 179.5° | 179.7° |
| N15 | C16 | C17 | C13 | 17.5° | 25.4° |
| N15 | C16 | C17 | H5 | 119.3° | 119.0° |
| N15 | C16 | C17 | H6 | 119.3° | 119.1° |
| N15 | C16 | H5 | H6 | 122.1° | 122.0° |
| N15 | C16 | C17 | H7 | 102.0° | 92.7° |
| N15 | C16 | C17 | H8 | 137.0° | 143.5° |
| O01 | C02 | O22 | N03 | 179.9° | 180.0° |
| O01 | C02 | N03 | C04 | 3.7° | 5.1° |
| O01 | C02 | N03 | H27 | 176.3° | 175.0° |
| O22 | C02 | N03 | C04 | 176.4° | 174.9° |
| C02 | O22 | C23 | H21 | 71.2° | 60.0° |
| C02 | O22 | C23 | H22 | 48.8° | 60.0° |
| O22 | C02 | N03 | H27 | 3.6° | 5.0° |
| C02 | N03 | C04 | H27 | 180.0° | 179.9° |
| C02 | N03 | C04 | C09 | 39.2° | 152.2° |
| C02 | N03 | C04 | C05 | 164.9° | 87.8° |
| C02 | N03 | C04 | H9 | 76.7° | 32.1° |
| C12 | C13 | C17 | H4 | 122.7° | 122.4° |
| C12 | C13 | C17 | C16 | 136.0° | 143.5° |
| C13 | C12 | C11 | H2 | 120.9° | 119.9° |
| C13 | C12 | C11 | H3 | 120.9° | 120.0° |
| C13 | C12 | C11 | N10 | 61.4° | 63.7° |
| C13 | C12 | C11 | C19 | 175.5° | 176.4° |
| C13 | C12 | C11 | H1 | 57.0° | 56.3° |
| C13 | C12 | H2 | H3 | 117.3° | 120.0° |
| C12 | C13 | C17 | H7 | 16.5° | 25.4° |
| C12 | C13 | C17 | H8 | 104.5° | 98.3° |
| C13 | C17 | C16 | H7 | 119.5° | 118.1° |
| C13 | C17 | C16 | H8 | 119.5° | 118.1° |
| C17 | C13 | C12 | C11 | 67.9° | 64.2° |
| C17 | C13 | C12 | H2 | 53.0° | 175.8° |
| C17 | C13 | C12 | H3 | 171.2° | 55.9° |
| C13 | C17 | C16 | H5 | 101.8° | 144.4° |
| C13 | C17 | C16 | H6 | 136.8° | 93.7° |
| C13 | C17 | H7 | H8 | 121.4° | 123.8° |
| C16 | C17 | C13 | H4 | 101.3° | 94.1° |
| C17 | C16 | H5 | H6 | 122.1° | 122.0° |
| C16 | C17 | H7 | H8 | 121.4° | 123.8° |
| C17 | C16 | N15 | H29 | 169.6° | 163.0° |
| C08 | C06 | C05 | C04 | 63.0° | 173.5° |
| C08 | C06 | C05 | C07 | 122.5° | 120.0° |
| C08 | C06 | C05 | H12 | 118.2° | 120.0° |
| C08 | C06 | C07 | H12 | 118.1° | 120.0° |
| C08 | C06 | C05 | H10 | 175.9° | 66.4° |
| C08 | C06 | C05 | H11 | 58.1° | 53.6° |
| C08 | C06 | C07 | H13 | 180.0° | 56.4° |
| C08 | C06 | C07 | H14 | 60.0° | 63.6° |
| C08 | C06 | C07 | H15 | 60.0° | 176.4° |
| C06 | C08 | H16 | H17 | 120.0° | 120.0° |
| C06 | C08 | H16 | H18 | 120.0° | 120.0° |
| C06 | C08 | H17 | H18 | 120.0° | 120.0° |
| C12 | C11 | N10 | C09 | 102.6° | 60.6° |
| C12 | C11 | N10 | C19 | 122.7° | 120.0° |
| C12 | C11 | N10 | H1 | 117.9° | 120.0° |
| C12 | C11 | C19 | H1 | 118.3° | 120.0° |
| C12 | C11 | C19 | O20 | 174.1° | 60.1° |
| C11 | C12 | H2 | H3 | 117.3° | 120.0° |
| C11 | C12 | C13 | H4 | 54.6° | 58.3° |
| C12 | C11 | C19 | S1 | 65.2° | 179.9° |
| C12 | C11 | C19 | H20 | 59.3° | 59.9° |
| C12 | C11 | N10 | H28 | 77.4° | 119.4° |
| N03 | C04 | C09 | C05 | 127.0° | 120.0° |
| N03 | C04 | C09 | H9 | 116.5° | 120.0° |
| N03 | C04 | C05 | H9 | 118.7° | 120.0° |
| N03 | C04 | C09 | N10 | 143.2° | 158.5° |
| N03 | C04 | C09 | O21 | 37.1° | 21.5° |
| N03 | C04 | C05 | C06 | 55.1° | 177.0° |
| N03 | C04 | C05 | H10 | 66.0° | 56.9° |
| N03 | C04 | C05 | H11 | 176.3° | 63.1° |
| C09 | C04 | C05 | H9 | 116.4° | 120.0° |
| C04 | C09 | N10 | O21 | 179.7° | 180.0° |
| C04 | C09 | N10 | C11 | 179.2° | 174.5° |
| C09 | C04 | C05 | C06 | 180.0° | 63.1° |
| C09 | C04 | C05 | H10 | 58.9° | 176.9° |
| C09 | C04 | C05 | H11 | 58.9° | 56.9° |
| C09 | C04 | N03 | H27 | 140.8° | 28.0° |
| C04 | C09 | N10 | H28 | 0.9° | 5.6° |
| C05 | C04 | C09 | N10 | 89.8° | 81.5° |
| C05 | C04 | C09 | O21 | 89.9° | 98.5° |
| C04 | C05 | C06 | H10 | 121.1° | 120.0° |
| C04 | C05 | C06 | H11 | 121.1° | 120.0° |
| C04 | C05 | C06 | C07 | 174.5° | 66.5° |
| C04 | C05 | H10 | H11 | 116.4° | 120.0° |
| C04 | C05 | C06 | H12 | 55.2° | 53.5° |
| C05 | C04 | N03 | H27 | 15.1° | 92.0° |
| C09 | N10 | C11 | H28 | 180.0° | 179.9° |
| C09 | N10 | C11 | C19 | 134.7° | 59.4° |
| C09 | N10 | C11 | H1 | 15.3° | 179.4° |
| N10 | C09 | C04 | H9 | 26.7° | 38.4° |
| C11 | N10 | C09 | O21 | 0.6° | 5.5° |
| N10 | C11 | C19 | H1 | 119.8° | 120.0° |
| N10 | C11 | C19 | O20 | 64.0° | 179.9° |
| N10 | C11 | C12 | H2 | 177.7° | 56.3° |
| N10 | C11 | C12 | H3 | 59.5° | 176.3° |
| N10 | C11 | C19 | S1 | 56.7° | 59.9° |
| N10 | C11 | C19 | H20 | 178.8° | 60.1° |
| O21 | C09 | C04 | H9 | 153.6° | 141.6° |
| O21 | C09 | N10 | H28 | 179.4° | 174.4° |
| C05 | C06 | C07 | H12 | 119.5° | 120.0° |
| C06 | C05 | C04 | H9 | 63.6° | 56.9° |
| C06 | C05 | H10 | H11 | 116.4° | 120.0° |
| C05 | C06 | C07 | H13 | 57.6° | 63.6° |
| C05 | C06 | C07 | H14 | 62.4° | 176.4° |
| C05 | C06 | C07 | H15 | 177.6° | 56.4° |
| C05 | C06 | C08 | H16 | 180.0° | 60.0° |
| C05 | C06 | C08 | H17 | 60.0° | 180.0° |
| C05 | C06 | C08 | H18 | 60.0° | 60.0° |
| C07 | C06 | C05 | H10 | 53.3° | 53.6° |
| C07 | C06 | C05 | H11 | 64.4° | 173.5° |
| C06 | C07 | H13 | H14 | 120.0° | 120.0° |
| C06 | C07 | H13 | H15 | 120.0° | 120.0° |
| C06 | C07 | H14 | H15 | 120.0° | 119.9° |
| C07 | C06 | C08 | H16 | 56.0° | 180.0° |
| C07 | C06 | C08 | H17 | 64.0° | 60.0° |
| C07 | C06 | C08 | H18 | 176.0° | 60.0° |
| C11 | C19 | O20 | S1 | 120.7° | 120.0° |
| C11 | C19 | O20 | H20 | 114.1° | 120.0° |
| C19 | C11 | C12 | H2 | 54.6° | 63.7° |
| C19 | C11 | C12 | H3 | 63.7° | 56.3° |
| C11 | C19 | S1 | H20 | 120.1° | 120.0° |
| C19 | C11 | N10 | H28 | 45.3° | 120.6° |
| C11 | C19 | O20 | H30 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 79.6° | 50.3° |
| C11 | C19 | S1 | O2 | 79.6° | 172.9° |
| C11 | C19 | S1 | O3 | 79.6° | 61.3° |
| O20 | C19 | C11 | H1 | 55.8° | 59.9° |
| O20 | C19 | S1 | H20 | 121.5° | 120.0° |
| O20 | C19 | S1 | O1 | 162.0° | 69.7° |
| O20 | C19 | S1 | O2 | 162.0° | 67.1° |
| O20 | C19 | S1 | O3 | 162.0° | 178.7° |
| H1 | C11 | C12 | H2 | 63.8° | 176.3° |
| H1 | C11 | C12 | H3 | 177.9° | 63.7° |
| H1 | C11 | C19 | S1 | 176.5° | 60.0° |
| H1 | C11 | C19 | H20 | 59.0° | 180.0° |
| H1 | C11 | N10 | H28 | 164.7° | 0.7° |
| H2 | C12 | C13 | H4 | 175.5° | 61.7° |
| H3 | C12 | C13 | H4 | 66.2° | 178.4° |
| H4 | C13 | C17 | H7 | 139.2° | 147.8° |
| H4 | C13 | C17 | H8 | 18.2° | 24.1° |
| H5 | C16 | C17 | H7 | 138.7° | 26.3° |
| H5 | C16 | C17 | H8 | 17.7° | 97.5° |
| H5 | C16 | N15 | H29 | 71.1° | 44.0° |
| H6 | C16 | C17 | H7 | 17.2° | 148.2° |
| H6 | C16 | C17 | H8 | 103.7° | 24.4° |
| H6 | C16 | N15 | H29 | 50.4° | 77.9° |
| H9 | C04 | C05 | H10 | 175.3° | 63.1° |
| H9 | C04 | C05 | H11 | 57.5° | 176.9° |
| H9 | C04 | N03 | H27 | 103.3° | 148.0° |
| H10 | C05 | C06 | H12 | 65.9° | 173.6° |
| H11 | C05 | C06 | H12 | 176.3° | 66.5° |
| H12 | C06 | C07 | H13 | 61.9° | 176.4° |
| H12 | C06 | C07 | H14 | 178.1° | 56.4° |
| H12 | C06 | C07 | H15 | 58.1° | 63.5° |
| H12 | C06 | C08 | H16 | 61.8° | 60.0° |
| H12 | C06 | C08 | H17 | 178.2° | 60.0° |
| H12 | C06 | C08 | H18 | 58.2° | 180.0° |
| H13 | C07 | H14 | H15 | 120.0° | 120.0° |
| H16 | C08 | H17 | H18 | 120.0° | 119.9° |
| S1 | C19 | O20 | H30 | 59.3° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.6° |
| C19 | S1 | O1 | O3 | 90.0° | 111.7° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H19 | 90.0° | 180.0° |
| H20 | C19 | O20 | H30 | 65.9° | 60.0° |
| H20 | C19 | S1 | O1 | 40.6° | 170.3° |
| H20 | C19 | S1 | O2 | 40.6° | 52.9° |
| H20 | C19 | S1 | O3 | 40.6° | 58.7° |
| H23 | C25 | C26 | H24 | 0.3° | 0.1° |
| H25 | C29 | C30 | H26 | 0.5° | 0.2° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H19 | 90.0° | 64.0° |
| O2 | S1 | O3 | H19 | 90.0° | 63.9° |
