YLJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C14 | doub | 1.21Å | 1.18Å | |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C28 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.58Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | O22 | sing | 1.45Å | 1.45Å | |
| C14 | N15 | sing | 1.34Å | 1.44Å | |
| C14 | C13 | sing | 1.51Å | 1.56Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C26 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | F27 | sing | 1.35Å | 1.30Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| O22 | C02 | sing | 1.35Å | 1.43Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C16 | C17 | sing | 1.54Å | 1.56Å | |
| C08 | C06 | sing | 1.53Å | 1.54Å | |
| N03 | C04 | sing | 1.47Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.60Å | |
| C04 | C09 | sing | 1.51Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| N10 | C09 | sing | 1.35Å | 1.39Å | |
| N10 | C11 | sing | 1.46Å | 1.50Å | |
| C09 | O21 | doub | 1.21Å | 1.24Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.57Å | |
| C11 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| C30 | 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 | 34.21Å | |
| S1 | O2 | doub | 1.42Å | 34.21Å | |
| S1 | O3 | sing | 1.52Å | 34.21Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| N15 | H29 | sing | 0.97Å | 1.00Å | |
| O3 | H30 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C14 | N15 | 126.5° | 125.0° |
| O18 | C14 | C13 | 123.0° | 124.9° |
| C30 | C29 | C28 | 119.5° | 120.1° |
| C29 | C30 | C24 | 122.7° | 120.0° |
| C30 | C29 | H7 | 120.3° | 120.0° |
| C29 | C30 | H25 | 118.7° | 119.9° |
| C29 | C28 | C26 | 118.9° | 119.9° |
| C28 | C29 | H7 | 120.2° | 120.0° |
| C29 | C28 | H8 | 120.5° | 120.0° |
| C30 | C24 | C23 | 122.0° | 120.0° |
| C30 | C24 | C25 | 117.0° | 120.0° |
| C24 | C30 | H25 | 118.6° | 120.0° |
| C28 | C26 | C25 | 120.2° | 120.0° |
| C28 | C26 | F27 | 119.7° | 120.0° |
| C26 | C28 | H8 | 120.6° | 120.0° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C24 | C23 | O22 | 116.9° | 109.4° |
| C24 | C23 | H5 | 107.6° | 109.5° |
| C24 | C23 | H6 | 107.6° | 109.5° |
| C24 | C25 | C26 | 121.7° | 120.0° |
| C24 | C25 | H9 | 119.1° | 120.1° |
| C23 | O22 | C02 | 118.1° | 117.0° |
| O22 | C23 | H5 | 107.6° | 109.5° |
| O22 | C23 | H6 | 107.6° | 109.4° |
| N15 | C14 | C13 | 110.5° | 110.1° |
| C14 | N15 | C16 | 110.8° | 111.3° |
| C14 | N15 | H29 | 124.6° | 124.4° |
| C14 | C13 | C12 | 118.3° | 110.5° |
| C14 | C13 | C17 | 103.4° | 104.2° |
| C14 | C13 | H22 | 108.4° | 110.6° |
| N15 | C16 | C17 | 106.7° | 105.5° |
| N15 | C16 | H2 | 110.2° | 110.2° |
| N15 | C16 | H24 | 110.2° | 110.3° |
| C16 | N15 | H29 | 124.6° | 124.3° |
| C25 | C26 | F27 | 120.1° | 120.0° |
| C26 | C25 | H9 | 119.2° | 120.0° |
| O01 | C02 | O22 | 119.5° | 120.0° |
| O01 | C02 | N03 | 122.2° | 120.0° |
| O22 | C02 | N03 | 118.3° | 120.0° |
| C12 | C13 | C17 | 109.4° | 110.5° |
| C13 | C12 | C11 | 117.2° | 109.5° |
| C13 | C12 | H20 | 107.5° | 109.5° |
| C13 | C12 | H21 | 107.5° | 109.4° |
| C12 | C13 | H22 | 108.3° | 110.4° |
| C13 | C17 | C16 | 108.1° | 101.8° |
| C13 | C17 | H3 | 109.8° | 110.9° |
| C13 | C17 | H4 | 109.8° | 111.0° |
| C17 | C13 | H22 | 108.6° | 110.5° |
| C02 | N03 | C04 | 121.1° | 120.0° |
| C02 | N03 | H26 | 119.5° | 120.0° |
| C17 | C16 | H2 | 110.2° | 110.2° |
| C16 | C17 | H3 | 109.8° | 111.0° |
| C16 | C17 | H4 | 109.8° | 111.0° |
| C17 | C16 | H24 | 110.2° | 110.3° |
| C08 | C06 | C05 | 109.5° | 109.5° |
| C08 | C06 | C07 | 112.3° | 109.4° |
| C08 | C06 | H13 | 107.1° | 109.5° |
| C06 | C08 | H17 | 109.5° | 109.5° |
| C06 | C08 | H18 | 109.4° | 109.4° |
| C06 | C08 | H19 | 109.5° | 109.5° |
| N03 | C04 | C09 | 108.6° | 109.4° |
| N03 | C04 | C05 | 115.7° | 109.5° |
| N03 | C04 | H10 | 108.9° | 109.5° |
| C04 | N03 | H26 | 119.5° | 120.0° |
| C12 | C11 | N10 | 112.8° | 109.4° |
| C12 | C11 | C19 | 111.8° | 109.5° |
| C12 | C11 | H1 | 107.4° | 109.5° |
| C11 | C12 | H20 | 107.5° | 109.5° |
| C11 | C12 | H21 | 107.5° | 109.5° |
| C09 | C04 | C05 | 107.5° | 109.5° |
| C04 | C09 | N10 | 127.4° | 120.0° |
| C04 | C09 | O21 | 113.7° | 120.0° |
| C09 | C04 | H10 | 107.7° | 109.5° |
| C04 | C05 | C06 | 116.1° | 109.5° |
| C05 | C04 | H10 | 108.2° | 109.5° |
| C04 | C05 | H11 | 107.8° | 109.5° |
| C04 | C05 | H12 | 107.8° | 109.5° |
| C09 | N10 | C11 | 127.0° | 120.0° |
| N10 | C09 | O21 | 118.9° | 120.0° |
| C09 | N10 | H27 | 116.5° | 119.9° |
| N10 | C11 | C19 | 108.2° | 109.5° |
| N10 | C11 | H1 | 108.5° | 109.5° |
| C11 | N10 | H27 | 116.5° | 120.0° |
| C05 | C06 | C07 | 113.9° | 109.5° |
| C06 | C05 | H11 | 107.8° | 109.4° |
| C06 | C05 | H12 | 107.8° | 109.5° |
| C05 | C06 | H13 | 107.0° | 109.5° |
| C07 | C06 | H13 | 106.7° | 109.5° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C06 | C07 | H15 | 109.5° | 109.5° |
| C06 | C07 | H16 | 109.5° | 109.4° |
| C11 | C19 | O20 | 109.3° | 109.5° |
| C19 | C11 | H1 | 108.0° | 109.5° |
| C11 | C19 | H23 | 106.5° | 109.5° |
| C11 | C19 | S1 | 109.4° | 109.5° |
| O20 | C19 | H23 | 108.1° | 109.5° |
| O20 | C19 | S1 | 109.3° | 109.4° |
| C19 | O20 | H28 | 109.5° | 114.0° |
| H2 | C16 | H24 | 109.5° | 110.2° |
| H3 | C17 | H4 | 109.5° | 110.9° |
| H5 | C23 | H6 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H14 | C07 | H16 | 109.5° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.4° |
| H17 | C08 | H19 | 109.4° | 109.4° |
| H18 | C08 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H23 | C19 | S1 | 114.2° | 109.4° |
| C19 | S1 | O1 | 135.4° | 110.6° |
| C19 | S1 | O2 | 135.4° | 110.6° |
| C19 | S1 | O3 | 135.4° | 104.5° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.2° |
| S1 | O3 | H30 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C14 | N15 | C13 | 179.3° | 179.9° |
| O18 | C14 | N15 | C16 | 179.7° | 179.7° |
| O18 | C14 | C13 | C12 | 63.3° | 77.6° |
| O18 | C14 | C13 | C17 | 175.6° | 163.7° |
| O18 | C14 | C13 | H22 | 60.4° | 44.9° |
| O18 | C14 | N15 | H29 | 0.3° | 0.4° |
| C30 | C29 | C28 | H7 | 180.0° | 179.9° |
| C29 | C30 | C24 | H25 | 180.0° | 180.0° |
| C30 | C29 | C28 | C26 | 0.1° | 0.4° |
| C29 | C30 | C24 | C23 | 180.0° | 179.9° |
| C29 | C30 | C24 | C25 | 0.0° | 0.3° |
| C30 | C29 | C28 | H8 | 179.9° | 180.0° |
| C28 | C29 | C30 | C24 | 0.1° | 0.1° |
| C29 | C28 | C26 | H8 | 180.0° | 179.6° |
| C29 | C28 | C26 | C25 | 0.3° | 0.3° |
| C29 | C28 | C26 | F27 | 180.0° | 180.0° |
| C28 | C29 | C30 | H25 | 179.9° | 180.0° |
| C30 | C24 | C23 | C25 | 180.0° | 179.7° |
| C30 | C24 | C23 | O22 | 85.5° | 90.3° |
| C30 | C24 | C25 | C26 | 0.2° | 0.3° |
| C30 | C24 | C23 | H5 | 35.5° | 29.7° |
| C30 | C24 | C23 | H6 | 153.4° | 149.8° |
| C24 | C30 | C29 | H7 | 179.9° | 180.0° |
| C30 | C24 | C25 | H9 | 179.8° | 179.8° |
| C28 | C26 | C25 | C24 | 0.3° | 0.0° |
| C28 | C26 | C25 | F27 | 179.7° | 179.7° |
| C26 | C28 | C29 | H7 | 179.9° | 179.7° |
| C28 | C26 | C25 | H9 | 179.7° | 180.0° |
| C24 | C23 | O22 | H5 | 121.1° | 120.0° |
| C24 | C23 | O22 | H6 | 121.1° | 120.0° |
| C23 | C24 | C25 | C26 | 179.8° | 179.9° |
| C24 | C23 | O22 | C02 | 165.5° | 180.0° |
| C24 | C23 | H5 | H6 | 116.6° | 120.1° |
| C23 | C24 | C25 | H9 | 0.2° | 0.1° |
| C23 | C24 | C30 | H25 | 0.0° | 0.1° |
| C25 | C24 | C23 | O22 | 94.5° | 90.0° |
| C24 | C25 | C26 | H9 | 180.0° | 180.0° |
| C24 | C25 | C26 | F27 | 180.0° | 179.7° |
| C25 | C24 | C23 | H5 | 144.5° | 150.0° |
| C25 | C24 | C23 | H6 | 26.6° | 29.9° |
| C25 | C24 | C30 | H25 | 180.0° | 179.7° |
| C23 | O22 | C02 | O01 | 103.7° | 0.0° |
| C23 | O22 | C02 | N03 | 75.5° | 180.0° |
| O22 | C23 | H5 | H6 | 116.6° | 120.0° |
| C14 | N15 | C16 | H29 | 180.0° | 179.9° |
| N15 | C14 | C13 | C12 | 117.4° | 102.4° |
| N15 | C14 | C13 | C17 | 3.7° | 16.3° |
| C14 | N15 | C16 | C17 | 5.3° | 17.0° |
| C14 | N15 | C16 | H2 | 124.9° | 102.0° |
| N15 | C14 | C13 | H22 | 118.9° | 135.0° |
| C14 | N15 | C16 | H24 | 114.2° | 136.1° |
| C13 | C14 | N15 | C16 | 1.0° | 0.4° |
| C14 | C13 | C12 | C17 | 118.0° | 114.8° |
| C14 | C13 | C12 | H22 | 123.8° | 122.6° |
| C14 | C13 | C17 | H22 | 115.0° | 118.8° |
| C14 | C13 | C17 | C16 | 6.8° | 24.8° |
| C14 | C13 | C12 | C11 | 172.9° | 70.2° |
| C14 | C13 | C17 | H3 | 126.6° | 93.3° |
| C14 | C13 | C17 | H4 | 113.0° | 142.9° |
| C14 | C13 | C12 | H20 | 65.9° | 49.8° |
| C14 | C13 | C12 | H21 | 51.8° | 169.8° |
| C13 | C14 | N15 | H29 | 179.0° | 179.5° |
| N15 | C16 | C17 | C13 | 7.7° | 25.4° |
| N15 | C16 | C17 | H2 | 119.6° | 119.0° |
| N15 | C16 | C17 | H24 | 119.6° | 119.1° |
| N15 | C16 | H2 | H24 | 121.3° | 122.0° |
| N15 | C16 | C17 | H3 | 127.5° | 92.7° |
| N15 | C16 | C17 | H4 | 112.1° | 143.5° |
| C25 | C26 | C28 | H8 | 179.7° | 180.0° |
| F27 | C26 | C28 | H8 | 0.0° | 0.4° |
| F27 | C26 | C25 | H9 | 0.1° | 0.3° |
| O01 | C02 | O22 | N03 | 179.2° | 180.0° |
| O01 | C02 | N03 | C04 | 5.0° | 0.0° |
| O01 | C02 | N03 | H26 | 175.0° | 180.0° |
| O22 | C02 | N03 | C04 | 175.8° | 180.0° |
| C02 | O22 | C23 | H5 | 73.4° | 60.0° |
| C02 | O22 | C23 | H6 | 44.5° | 60.0° |
| O22 | C02 | N03 | H26 | 4.2° | 0.1° |
| C12 | C13 | C17 | H22 | 118.1° | 122.6° |
| C12 | C13 | C17 | C16 | 120.2° | 93.9° |
| C13 | C12 | C11 | H20 | 121.1° | 120.0° |
| C13 | C12 | C11 | H21 | 121.1° | 120.0° |
| C13 | C12 | C11 | N10 | 47.4° | 67.5° |
| C13 | C12 | C11 | C19 | 169.6° | 172.5° |
| C13 | C12 | C11 | H1 | 72.0° | 52.4° |
| C12 | C13 | C17 | H3 | 0.4° | 148.1° |
| C12 | C13 | C17 | H4 | 120.1° | 24.3° |
| C13 | C12 | H20 | H21 | 116.5° | 120.0° |
| C13 | C17 | C16 | H3 | 119.8° | 118.0° |
| C13 | C17 | C16 | H4 | 119.8° | 118.1° |
| C17 | C13 | C12 | C11 | 69.1° | 175.0° |
| C13 | C17 | C16 | H2 | 127.2° | 93.6° |
| C13 | C17 | H3 | H4 | 120.7° | 123.8° |
| C17 | C13 | C12 | H20 | 52.0° | 65.0° |
| C17 | C13 | C12 | H21 | 169.8° | 55.0° |
| C13 | C17 | C16 | H24 | 111.9° | 144.5° |
| C02 | N03 | C04 | H26 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 44.8° | 155.0° |
| C02 | N03 | C04 | C05 | 165.6° | 85.0° |
| C02 | N03 | C04 | H10 | 72.3° | 35.0° |
| C17 | C16 | H2 | H24 | 121.3° | 121.9° |
| C16 | C17 | H3 | H4 | 120.6° | 123.9° |
| C16 | C17 | C13 | H22 | 121.8° | 143.6° |
| C17 | C16 | N15 | H29 | 174.7° | 162.9° |
| C08 | C06 | C05 | C04 | 56.2° | 65.0° |
| C08 | C06 | C05 | C07 | 126.6° | 119.9° |
| C08 | C06 | C05 | H13 | 115.7° | 120.0° |
| C08 | C06 | C07 | H13 | 117.0° | 120.0° |
| C08 | C06 | C05 | H11 | 177.1° | 175.0° |
| C08 | C06 | C05 | H12 | 64.8° | 55.0° |
| C08 | C06 | C07 | H14 | 180.0° | 60.0° |
| C08 | C06 | C07 | H15 | 60.0° | 60.0° |
| C08 | C06 | C07 | H16 | 60.0° | 180.0° |
| C06 | C08 | H17 | H18 | 120.0° | 119.9° |
| C06 | C08 | H17 | H19 | 120.0° | 120.1° |
| C06 | C08 | H18 | H19 | 120.0° | 120.1° |
| N03 | C04 | C09 | C05 | 125.8° | 120.0° |
| N03 | C04 | C09 | H10 | 117.8° | 120.0° |
| N03 | C04 | C05 | H10 | 122.5° | 120.0° |
| N03 | C04 | C09 | N10 | 133.2° | 180.0° |
| N03 | C04 | C09 | O21 | 45.4° | 0.0° |
| N03 | C04 | C05 | C06 | 64.4° | 65.0° |
| N03 | C04 | C05 | H11 | 56.6° | 55.0° |
| N03 | C04 | C05 | H12 | 174.7° | 175.0° |
| C12 | C11 | N10 | C09 | 108.6° | 155.0° |
| C12 | C11 | N10 | C19 | 124.2° | 120.0° |
| C12 | C11 | N10 | H1 | 118.8° | 120.0° |
| C12 | C11 | C19 | H1 | 118.0° | 120.0° |
| C12 | C11 | C19 | O20 | 47.1° | 60.1° |
| C11 | C12 | H20 | H21 | 116.5° | 120.0° |
| C11 | C12 | C13 | H22 | 49.2° | 52.4° |
| C12 | C11 | C19 | H23 | 163.7° | 179.9° |
| C12 | C11 | C19 | S1 | 72.5° | 59.9° |
| C12 | C11 | N10 | H27 | 71.4° | 25.0° |
| C09 | C04 | C05 | H10 | 116.0° | 120.0° |
| C04 | C09 | N10 | O21 | 178.6° | 180.0° |
| C04 | C09 | N10 | C11 | 179.2° | 180.0° |
| C09 | C04 | C05 | C06 | 174.1° | 175.0° |
| C09 | C04 | C05 | H11 | 64.9° | 65.0° |
| C09 | C04 | C05 | H12 | 53.2° | 55.0° |
| C09 | C04 | N03 | H26 | 135.2° | 25.0° |
| C04 | C09 | N10 | H27 | 0.8° | 0.0° |
| C05 | C04 | C09 | N10 | 100.9° | 60.0° |
| C05 | C04 | C09 | O21 | 80.4° | 120.0° |
| C04 | C05 | C06 | H11 | 120.9° | 120.0° |
| C04 | C05 | C06 | H12 | 121.0° | 120.0° |
| C04 | C05 | C06 | C07 | 177.2° | 175.0° |
| C04 | C05 | H11 | H12 | 117.0° | 120.0° |
| C04 | C05 | C06 | H13 | 59.5° | 55.0° |
| C05 | C04 | N03 | H26 | 14.3° | 95.0° |
| C09 | N10 | C11 | H27 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 127.1° | 85.0° |
| C09 | N10 | C11 | H1 | 10.2° | 35.0° |
| N10 | C09 | C04 | H10 | 15.4° | 60.1° |
| C11 | N10 | C09 | O21 | 2.2° | 0.0° |
| N10 | C11 | C19 | H1 | 117.2° | 120.0° |
| N10 | C11 | C19 | O20 | 171.9° | 180.0° |
| N10 | C11 | C12 | H20 | 168.5° | 52.5° |
| N10 | C11 | C12 | H21 | 73.7° | 172.5° |
| N10 | C11 | C19 | H23 | 71.5° | 59.9° |
| N10 | C11 | C19 | S1 | 52.3° | 60.1° |
| O21 | C09 | C04 | H10 | 163.2° | 120.0° |
| O21 | C09 | N10 | H27 | 177.8° | 180.0° |
| C05 | C06 | C07 | H13 | 117.8° | 120.0° |
| C06 | C05 | C04 | H10 | 58.1° | 55.0° |
| C06 | C05 | H11 | H12 | 117.0° | 120.0° |
| C05 | C06 | C07 | H14 | 54.8° | 60.0° |
| C05 | C06 | C07 | H15 | 65.2° | 180.0° |
| C05 | C06 | C07 | H16 | 174.8° | 60.0° |
| C05 | C06 | C08 | H17 | 180.0° | 60.0° |
| C05 | C06 | C08 | H18 | 60.0° | 60.0° |
| C05 | C06 | C08 | H19 | 60.0° | 180.0° |
| C07 | C06 | C05 | H11 | 56.2° | 55.0° |
| C07 | C06 | C05 | H12 | 61.9° | 64.9° |
| C06 | C07 | H14 | H15 | 120.0° | 120.0° |
| C06 | C07 | H14 | H16 | 120.0° | 120.0° |
| C06 | C07 | H15 | H16 | 120.0° | 120.0° |
| C07 | C06 | C08 | H17 | 52.5° | 60.0° |
| C07 | C06 | C08 | H18 | 67.6° | 179.9° |
| C07 | C06 | C08 | H19 | 172.4° | 60.0° |
| C11 | C19 | O20 | H23 | 115.5° | 120.1° |
| C11 | C19 | O20 | S1 | 119.6° | 120.0° |
| C19 | C11 | C12 | H20 | 69.2° | 67.5° |
| C19 | C11 | C12 | H21 | 48.5° | 52.5° |
| C11 | C19 | H23 | S1 | 120.8° | 120.0° |
| C19 | C11 | N10 | H27 | 52.8° | 95.0° |
| C11 | C19 | O20 | H28 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 81.6° | 165.7° |
| C11 | C19 | S1 | O2 | 81.6° | 57.6° |
| C11 | C19 | S1 | O3 | 81.6° | 54.0° |
| O20 | C19 | C11 | H1 | 70.8° | 60.0° |
| O20 | C19 | H23 | S1 | 121.9° | 120.0° |
| O20 | C19 | S1 | O1 | 38.0° | 74.4° |
| O20 | C19 | S1 | O2 | 38.0° | 62.4° |
| O20 | C19 | S1 | O3 | 38.0° | 174.0° |
| H1 | C11 | C12 | H20 | 49.1° | 172.5° |
| H1 | C11 | C12 | H21 | 166.9° | 67.5° |
| H1 | C11 | C19 | H23 | 45.7° | 60.1° |
| H1 | C11 | C19 | S1 | 169.6° | 179.9° |
| H1 | C11 | N10 | H27 | 169.8° | 145.0° |
| H2 | C16 | C17 | H3 | 113.0° | 148.3° |
| H2 | C16 | C17 | H4 | 7.4° | 24.5° |
| H2 | C16 | N15 | H29 | 55.1° | 78.0° |
| H3 | C17 | C13 | H22 | 118.5° | 25.5° |
| H3 | C17 | C16 | H24 | 7.9° | 26.5° |
| H4 | C17 | C13 | H22 | 2.0° | 98.3° |
| H4 | C17 | C16 | H24 | 128.3° | 97.4° |
| H7 | C29 | C28 | H8 | 0.1° | 0.1° |
| H7 | C29 | C30 | H25 | 0.1° | 0.0° |
| H10 | C04 | C05 | H11 | 179.1° | 175.0° |
| H10 | C04 | C05 | H12 | 62.9° | 65.0° |
| H10 | C04 | N03 | H26 | 107.8° | 145.0° |
| H11 | C05 | C06 | H13 | 61.5° | 65.0° |
| H12 | C05 | C06 | H13 | 179.5° | 175.0° |
| H13 | C06 | C07 | H14 | 63.0° | 180.0° |
| H13 | C06 | C07 | H15 | 177.0° | 60.0° |
| H13 | C06 | C07 | H16 | 57.0° | 60.0° |
| H13 | C06 | C08 | H17 | 64.4° | 180.0° |
| H13 | C06 | C08 | H18 | 175.6° | 60.1° |
| H13 | C06 | C08 | H19 | 55.6° | 60.0° |
| H14 | C07 | H15 | H16 | 120.0° | 120.0° |
| H17 | C08 | H18 | H19 | 120.0° | 120.0° |
| H20 | C12 | C13 | H22 | 170.3° | 172.4° |
| H21 | C12 | C13 | H22 | 71.9° | 67.6° |
| H23 | C19 | O20 | H28 | 64.5° | 60.0° |
| H23 | C19 | S1 | O1 | 159.2° | 45.6° |
| H23 | C19 | S1 | O2 | 159.2° | 177.6° |
| H23 | C19 | S1 | O3 | 159.2° | 66.0° |
| S1 | C19 | O20 | H28 | 60.4° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O1 | O3 | 90.0° | 111.8° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H30 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H30 | 90.0° | 63.9° |
| O2 | S1 | O3 | H30 | 90.0° | 63.9° |
| H24 | C16 | N15 | H29 | 65.8° | 43.9° |
