Obsolete: UCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N27 | C26 | sing | 1.47Å | 1.48Å | |
| N27 | C28 | sing | 1.35Å | 1.41Å | |
| C26 | C25 | sing | 1.55Å | 1.55Å | |
| C28 | O29 | doub | 1.21Å | 1.21Å | |
| C28 | C24 | sing | 1.51Å | 1.59Å | |
| C25 | C24 | sing | 1.55Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.47Å | |
| C23 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N19 | sing | 1.47Å | 1.47Å | |
| C21 | O22 | sing | 1.43Å | 1.38Å | |
| N19 | C17 | sing | 1.35Å | 1.37Å | |
| O18 | C17 | doub | 1.21Å | 1.21Å | |
| O08 | C07 | doub | 1.21Å | 1.25Å | |
| C17 | C05 | sing | 1.51Å | 1.55Å | |
| C07 | O09 | sing | 1.35Å | 1.39Å | |
| C07 | N06 | sing | 1.35Å | 1.37Å | |
| C10 | O09 | sing | 1.45Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.61Å | |
| C05 | N06 | sing | 1.47Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.59Å | |
| C11 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C04 | C02 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C02 | C01 | sing | 1.53Å | 1.48Å | |
| C21 | S1 | sing | 1.81Å | 1.67Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| N19 | H6 | sing | 0.97Å | 1.00Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| O22 | H9 | sing | 0.97Å | 0.95Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| N06 | H25 | sing | 0.97Å | 1.00Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| N27 | H30 | sing | 0.97Å | 1.00Å | |
| S1 | O1 | doub | 1.42Å | 54.17Å | |
| S1 | O2 | sing | 1.52Å | 54.17Å | |
| S1 | C3 | doub | 1.55Å | 54.17Å | |
| O2 | H34 | sing | 0.97Å | 0.00Å | |
| C3 | H37 | sing | 1.08Å | 0.00Å | |
| C3 | H38 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N27 | C28 | 105.8° | 111.3° |
| N27 | C26 | C25 | 104.5° | 105.5° |
| N27 | C26 | H13 | 110.7° | 110.2° |
| N27 | C26 | H14 | 110.7° | 110.4° |
| C26 | N27 | H30 | 127.1° | 124.3° |
| N27 | C28 | O29 | 125.1° | 124.9° |
| N27 | C28 | C24 | 113.7° | 110.0° |
| C28 | N27 | H30 | 127.1° | 124.4° |
| C26 | C25 | C24 | 105.5° | 101.8° |
| C26 | C25 | H11 | 110.4° | 111.0° |
| C26 | C25 | H12 | 110.4° | 111.0° |
| C25 | C26 | H13 | 110.7° | 110.2° |
| C25 | C26 | H14 | 110.7° | 110.2° |
| O29 | C28 | C24 | 121.2° | 125.1° |
| C28 | C24 | C25 | 96.2° | 104.3° |
| C28 | C24 | C23 | 121.2° | 110.5° |
| C28 | C24 | H10 | 109.6° | 110.5° |
| C25 | C24 | C23 | 106.6° | 110.5° |
| C25 | C24 | H10 | 110.4° | 110.5° |
| C24 | C25 | H11 | 110.5° | 111.0° |
| C24 | C25 | H12 | 110.5° | 110.9° |
| C24 | C23 | C20 | 116.6° | 109.4° |
| C23 | C24 | H10 | 111.3° | 110.5° |
| C24 | C23 | H28 | 107.7° | 109.5° |
| C24 | C23 | H29 | 107.7° | 109.5° |
| C23 | C20 | C21 | 106.5° | 109.5° |
| C23 | C20 | N19 | 112.4° | 109.5° |
| C23 | C20 | H7 | 109.7° | 109.5° |
| C20 | C23 | H28 | 107.7° | 109.5° |
| C20 | C23 | H29 | 107.7° | 109.5° |
| C21 | C20 | N19 | 108.3° | 109.4° |
| C20 | C21 | O22 | 106.1° | 109.5° |
| C20 | C21 | S1 | 114.7° | 109.5° |
| C21 | C20 | H7 | 109.5° | 109.4° |
| C20 | C21 | H8 | 109.5° | 109.5° |
| C20 | N19 | C17 | 124.2° | 120.0° |
| C20 | N19 | H6 | 117.9° | 120.0° |
| N19 | C20 | H7 | 110.4° | 109.5° |
| O22 | C21 | S1 | 107.1° | 109.4° |
| O22 | C21 | H8 | 111.7° | 109.5° |
| C21 | O22 | H9 | 109.5° | 113.9° |
| N19 | C17 | O18 | 121.5° | 120.0° |
| N19 | C17 | C05 | 121.3° | 120.0° |
| C17 | N19 | H6 | 117.9° | 120.0° |
| O18 | C17 | C05 | 117.1° | 120.0° |
| O08 | C07 | O09 | 120.6° | 120.0° |
| O08 | C07 | N06 | 124.5° | 120.0° |
| C17 | C05 | N06 | 109.3° | 109.5° |
| C17 | C05 | C04 | 112.8° | 109.5° |
| C17 | C05 | H24 | 108.4° | 109.5° |
| O09 | C07 | N06 | 114.9° | 120.0° |
| C07 | O09 | C10 | 124.7° | 117.0° |
| C07 | N06 | C05 | 124.6° | 120.0° |
| C07 | N06 | H25 | 117.7° | 120.0° |
| O09 | C10 | C11 | 120.8° | 109.4° |
| O09 | C10 | H26 | 106.6° | 109.4° |
| O09 | C10 | H27 | 106.6° | 109.5° |
| C10 | C11 | C16 | 121.1° | 120.0° |
| C10 | C11 | C12 | 120.8° | 120.0° |
| C11 | C10 | H26 | 106.6° | 109.5° |
| C11 | C10 | H27 | 106.5° | 109.5° |
| N06 | C05 | C04 | 108.5° | 109.5° |
| N06 | C05 | H24 | 109.9° | 109.5° |
| C05 | N06 | H25 | 117.7° | 120.0° |
| C05 | C04 | C02 | 114.6° | 109.5° |
| C05 | C04 | H22 | 108.2° | 109.5° |
| C05 | C04 | H23 | 108.2° | 109.5° |
| C04 | C05 | H24 | 107.9° | 109.4° |
| C16 | C11 | C12 | 118.0° | 120.0° |
| C11 | C16 | C15 | 122.4° | 120.0° |
| C11 | C16 | H5 | 118.8° | 120.0° |
| C11 | C12 | C13 | 120.7° | 120.0° |
| C11 | C12 | H1 | 119.7° | 120.0° |
| C16 | C15 | C14 | 118.5° | 120.0° |
| C16 | C15 | H4 | 120.7° | 120.0° |
| C15 | C16 | H5 | 118.8° | 120.0° |
| C04 | C02 | C03 | 115.9° | 109.5° |
| C04 | C02 | C01 | 112.3° | 109.4° |
| C04 | C02 | H18 | 105.4° | 109.4° |
| C02 | C04 | H22 | 108.2° | 109.4° |
| C02 | C04 | H23 | 108.2° | 109.5° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C13 | C12 | H1 | 119.6° | 120.0° |
| C12 | C13 | H2 | 119.7° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C15 | C14 | H3 | 120.0° | 120.0° |
| C14 | C15 | H4 | 120.8° | 120.0° |
| C14 | C13 | H2 | 119.7° | 120.0° |
| C13 | C14 | H3 | 120.1° | 120.0° |
| C03 | C02 | C01 | 110.4° | 109.5° |
| C03 | C02 | H18 | 105.9° | 109.5° |
| C02 | C03 | H19 | 109.5° | 109.4° |
| C02 | C03 | H20 | 109.4° | 109.4° |
| C02 | C03 | H21 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C02 | C01 | H17 | 109.5° | 109.5° |
| C01 | C02 | H18 | 106.2° | 109.5° |
| S1 | C21 | H8 | 107.7° | 109.5° |
| C21 | S1 | O1 | 55.1° | 114.7° |
| C21 | S1 | O2 | 55.1° | 108.4° |
| C21 | S1 | C3 | 55.1° | 108.3° |
| H11 | C25 | H12 | 109.5° | 110.9° |
| H13 | C26 | H14 | 109.5° | 110.3° |
| H15 | C01 | H16 | 109.4° | 109.4° |
| H15 | C01 | H17 | 109.5° | 109.5° |
| H16 | C01 | H17 | 109.4° | 109.4° |
| H19 | C03 | H20 | 109.5° | 109.5° |
| H19 | C03 | H21 | 109.5° | 109.5° |
| H20 | C03 | H21 | 109.5° | 109.5° |
| H22 | C04 | H23 | 109.5° | 109.5° |
| H26 | C10 | H27 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.4° | 109.5° |
| O1 | S1 | O2 | 0.0° | 108.3° |
| O1 | S1 | C3 | 0.0° | 108.3° |
| O2 | S1 | C3 | 0.0° | 108.7° |
| S1 | O2 | H34 | 90.0° | 114.0° |
| S1 | C3 | H37 | 90.0° | 120.0° |
| S1 | C3 | H38 | 90.0° | 120.0° |
| H37 | C3 | H38 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N27 | C28 | H30 | 180.0° | 179.8° |
| N27 | C26 | C25 | H13 | 119.2° | 118.9° |
| N27 | C26 | C25 | H14 | 119.2° | 119.1° |
| C26 | N27 | C28 | O29 | 180.0° | 179.5° |
| C26 | N27 | C28 | C24 | 0.1° | 0.6° |
| N27 | C26 | C25 | C24 | 38.0° | 25.5° |
| N27 | C26 | C25 | H11 | 157.4° | 92.7° |
| N27 | C26 | C25 | H12 | 81.4° | 143.6° |
| N27 | C26 | H13 | H14 | 122.3° | 122.1° |
| C28 | N27 | C26 | C25 | 22.6° | 17.2° |
| N27 | C28 | O29 | C24 | 179.9° | 179.8° |
| N27 | C28 | C24 | C25 | 22.1° | 16.1° |
| N27 | C28 | C24 | C23 | 135.8° | 134.8° |
| N27 | C28 | C24 | H10 | 92.3° | 102.7° |
| C28 | N27 | C26 | H13 | 96.6° | 136.1° |
| C28 | N27 | C26 | H14 | 141.8° | 101.9° |
| C26 | C25 | C24 | C28 | 34.3° | 24.8° |
| C26 | C25 | C24 | H11 | 119.4° | 118.2° |
| C26 | C25 | C24 | H12 | 119.4° | 118.2° |
| C26 | C25 | C24 | C23 | 159.6° | 143.4° |
| C26 | C25 | C24 | H10 | 79.3° | 94.0° |
| C26 | C25 | H11 | H12 | 121.8° | 123.8° |
| C25 | C26 | H13 | H14 | 122.3° | 121.9° |
| C25 | C26 | N27 | H30 | 157.4° | 163.0° |
| O29 | C28 | C24 | C25 | 157.8° | 163.8° |
| O29 | C28 | C24 | C23 | 44.0° | 45.0° |
| O29 | C28 | C24 | H10 | 87.9° | 77.5° |
| O29 | C28 | N27 | H30 | 0.0° | 0.3° |
| C28 | C24 | C25 | C23 | 125.2° | 118.7° |
| C28 | C24 | C25 | H10 | 113.6° | 118.7° |
| C28 | C24 | C23 | H10 | 131.2° | 122.5° |
| C28 | C24 | C23 | C20 | 175.0° | 179.7° |
| C28 | C24 | C25 | H11 | 153.7° | 93.4° |
| C28 | C24 | C25 | H12 | 85.0° | 142.9° |
| C28 | C24 | C23 | H28 | 64.0° | 59.7° |
| C28 | C24 | C23 | H29 | 53.9° | 60.3° |
| C24 | C28 | N27 | H30 | 179.9° | 179.6° |
| C25 | C24 | C23 | H10 | 120.5° | 122.6° |
| C25 | C24 | C23 | C20 | 76.7° | 65.4° |
| C24 | C25 | H11 | H12 | 121.9° | 123.7° |
| C24 | C25 | C26 | H13 | 81.2° | 144.4° |
| C24 | C25 | C26 | H14 | 157.2° | 93.7° |
| C25 | C24 | C23 | H28 | 44.3° | 174.6° |
| C25 | C24 | C23 | H29 | 162.2° | 54.5° |
| C24 | C23 | C20 | H28 | 121.0° | 120.0° |
| C24 | C23 | C20 | H29 | 121.1° | 120.0° |
| C24 | C23 | C20 | C21 | 179.3° | 177.1° |
| C24 | C23 | C20 | N19 | 60.9° | 63.0° |
| C24 | C23 | C20 | H7 | 62.3° | 57.1° |
| C23 | C24 | C25 | H11 | 81.1° | 25.3° |
| C23 | C24 | C25 | H12 | 40.2° | 98.4° |
| C24 | C23 | H28 | H29 | 116.8° | 120.0° |
| C23 | C20 | C21 | N19 | 121.0° | 120.0° |
| C23 | C20 | C21 | H7 | 118.6° | 120.0° |
| C23 | C20 | N19 | H7 | 122.8° | 120.1° |
| C23 | C20 | C21 | O22 | 172.4° | 54.3° |
| C23 | C20 | N19 | C17 | 109.0° | 158.3° |
| C23 | C20 | C21 | S1 | 69.6° | 65.6° |
| C23 | C20 | N19 | H6 | 71.0° | 21.7° |
| C23 | C20 | C21 | H8 | 51.6° | 174.4° |
| C20 | C23 | C24 | H10 | 43.8° | 57.2° |
| C20 | C23 | H28 | H29 | 116.8° | 120.0° |
| C21 | C20 | N19 | H7 | 119.9° | 120.0° |
| C20 | C21 | O22 | S1 | 123.0° | 120.0° |
| C20 | C21 | O22 | H8 | 119.3° | 120.0° |
| C21 | C20 | N19 | C17 | 133.6° | 81.7° |
| C20 | C21 | S1 | H8 | 122.2° | 120.0° |
| C21 | C20 | N19 | H6 | 46.3° | 98.3° |
| C20 | C21 | O22 | H9 | 180.0° | 60.0° |
| C21 | C20 | C23 | H28 | 59.7° | 63.0° |
| C21 | C20 | C23 | H29 | 58.2° | 57.1° |
| C20 | C21 | S1 | O1 | 53.3° | 66.2° |
| C20 | C21 | S1 | O2 | 53.3° | 172.6° |
| C20 | C21 | S1 | C3 | 53.3° | 54.8° |
| N19 | C20 | C21 | O22 | 66.6° | 65.6° |
| C20 | N19 | C17 | H6 | 180.0° | 180.0° |
| C20 | N19 | C17 | O18 | 0.5° | 4.8° |
| C20 | N19 | C17 | C05 | 177.9° | 175.2° |
| N19 | C20 | C21 | S1 | 51.5° | 174.4° |
| N19 | C20 | C21 | H8 | 172.7° | 54.4° |
| N19 | C20 | C23 | H28 | 178.1° | 57.0° |
| N19 | C20 | C23 | H29 | 60.2° | 177.1° |
| O22 | C21 | S1 | H8 | 120.3° | 120.0° |
| O22 | C21 | C20 | H7 | 53.8° | 174.4° |
| O22 | C21 | S1 | O1 | 170.8° | 53.8° |
| O22 | C21 | S1 | O2 | 170.8° | 67.4° |
| O22 | C21 | S1 | C3 | 170.8° | 174.9° |
| N19 | C17 | O18 | C05 | 177.5° | 180.0° |
| N19 | C17 | C05 | N06 | 138.0° | 160.5° |
| N19 | C17 | C05 | C04 | 101.2° | 79.5° |
| C17 | N19 | C20 | H7 | 13.7° | 38.2° |
| N19 | C17 | C05 | H24 | 18.2° | 40.5° |
| O18 | C17 | C05 | N06 | 39.5° | 19.5° |
| O18 | C17 | C05 | C04 | 81.3° | 100.5° |
| O18 | C17 | N19 | H6 | 179.6° | 175.2° |
| O18 | C17 | C05 | H24 | 159.3° | 139.5° |
| O08 | C07 | O09 | N06 | 179.1° | 179.9° |
| O08 | C07 | O09 | C10 | 31.5° | 0.1° |
| O08 | C07 | N06 | C05 | 2.0° | 5.1° |
| O08 | C07 | N06 | H25 | 177.9° | 174.9° |
| C17 | C05 | N06 | C07 | 69.1° | 151.3° |
| C17 | C05 | N06 | C04 | 123.4° | 120.0° |
| C17 | C05 | N06 | H24 | 118.8° | 120.0° |
| C17 | C05 | C04 | H24 | 119.7° | 120.0° |
| C17 | C05 | C04 | C02 | 146.7° | 65.5° |
| C05 | C17 | N19 | H6 | 2.1° | 4.8° |
| C17 | C05 | C04 | H22 | 92.5° | 54.4° |
| C17 | C05 | C04 | H23 | 26.0° | 174.4° |
| C17 | C05 | N06 | H25 | 111.0° | 28.7° |
| C07 | O09 | C10 | C11 | 86.1° | 180.0° |
| O09 | C07 | N06 | C05 | 177.0° | 175.0° |
| O09 | C07 | N06 | H25 | 3.0° | 5.0° |
| C07 | O09 | C10 | H26 | 35.5° | 60.0° |
| C07 | O09 | C10 | H27 | 152.3° | 60.0° |
| N06 | C07 | O09 | C10 | 149.5° | 180.0° |
| C07 | N06 | C05 | H25 | 180.0° | 180.0° |
| C07 | N06 | C05 | C04 | 167.6° | 88.7° |
| C07 | N06 | C05 | H24 | 49.7° | 31.3° |
| O09 | C10 | C11 | H26 | 121.6° | 119.9° |
| O09 | C10 | C11 | H27 | 121.6° | 120.0° |
| O09 | C10 | C11 | C16 | 124.9° | 90.0° |
| O09 | C10 | C11 | C12 | 58.2° | 90.6° |
| O09 | C10 | H26 | H27 | 114.9° | 120.0° |
| C10 | C11 | C16 | C12 | 177.0° | 179.4° |
| C10 | C11 | C16 | C15 | 177.4° | 180.0° |
| C10 | C11 | C12 | C13 | 177.2° | 180.0° |
| C10 | C11 | C12 | H1 | 2.8° | 0.3° |
| C10 | C11 | C16 | H5 | 2.5° | 0.4° |
| C11 | C10 | H26 | H27 | 114.9° | 120.1° |
| N06 | C05 | C04 | H24 | 119.1° | 120.0° |
| N06 | C05 | C04 | C02 | 92.0° | 174.5° |
| N06 | C05 | C04 | H22 | 28.7° | 65.6° |
| N06 | C05 | C04 | H23 | 147.2° | 54.4° |
| C05 | C04 | C02 | H22 | 120.8° | 120.0° |
| C05 | C04 | C02 | H23 | 120.8° | 120.1° |
| C05 | C04 | C02 | C03 | 19.2° | 173.1° |
| C05 | C04 | C02 | C01 | 147.3° | 66.9° |
| C05 | C04 | C02 | H18 | 97.5° | 53.1° |
| C05 | C04 | H22 | H23 | 117.7° | 120.0° |
| C04 | C05 | N06 | H25 | 12.4° | 91.3° |
| C11 | C16 | C15 | H5 | 180.0° | 179.7° |
| C16 | C11 | C12 | C13 | 0.2° | 0.6° |
| C11 | C16 | C15 | C14 | 0.1° | 0.3° |
| C16 | C11 | C12 | H1 | 179.8° | 179.6° |
| C11 | C16 | C15 | H4 | 179.9° | 179.7° |
| C16 | C11 | C10 | H26 | 113.5° | 29.9° |
| C16 | C11 | C10 | H27 | 3.3° | 150.0° |
| C12 | C11 | C16 | C15 | 0.4° | 0.6° |
| C11 | C12 | C13 | H1 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.5° | 0.3° |
| C11 | C12 | C13 | H2 | 179.6° | 179.7° |
| C12 | C11 | C16 | H5 | 179.6° | 179.7° |
| C12 | C11 | C10 | H26 | 63.4° | 149.5° |
| C12 | C11 | C10 | H27 | 179.7° | 29.4° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.7° | 0.0° |
| C16 | C15 | C14 | H3 | 179.3° | 180.0° |
| C04 | C02 | C03 | C01 | 129.0° | 120.0° |
| C04 | C02 | C03 | H18 | 116.4° | 120.0° |
| C04 | C02 | C01 | H18 | 114.7° | 119.9° |
| C04 | C02 | C01 | H15 | 180.0° | 64.2° |
| C04 | C02 | C01 | H16 | 60.0° | 175.9° |
| C04 | C02 | C01 | H17 | 60.0° | 55.9° |
| C04 | C02 | C03 | H19 | 180.0° | 60.0° |
| C04 | C02 | C03 | H20 | 60.0° | 60.0° |
| C04 | C02 | C03 | H21 | 60.0° | 180.0° |
| C02 | C04 | H22 | H23 | 117.7° | 119.9° |
| C02 | C04 | C05 | H24 | 27.1° | 54.5° |
| C12 | C13 | C14 | C15 | 0.9° | 0.0° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | H3 | 179.1° | 180.0° |
| C15 | C14 | C13 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | H2 | 179.1° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | H1 | 179.5° | 179.9° |
| C13 | C14 | C15 | H4 | 179.3° | 180.0° |
| C03 | C02 | C01 | H18 | 114.4° | 120.0° |
| C03 | C02 | C01 | H15 | 49.0° | 55.8° |
| C03 | C02 | C01 | H16 | 71.0° | 64.1° |
| C03 | C02 | C01 | H17 | 169.1° | 175.9° |
| C02 | C03 | H19 | H20 | 120.0° | 119.9° |
| C02 | C03 | H19 | H21 | 120.0° | 120.0° |
| C02 | C03 | H20 | H21 | 120.0° | 120.0° |
| C03 | C02 | C04 | H22 | 101.5° | 53.1° |
| C03 | C02 | C04 | H23 | 140.0° | 66.8° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C02 | C01 | H15 | H17 | 120.0° | 120.1° |
| C02 | C01 | H16 | H17 | 120.0° | 120.0° |
| C01 | C02 | C03 | H19 | 51.0° | 60.0° |
| C01 | C02 | C03 | H20 | 170.9° | 180.0° |
| C01 | C02 | C03 | H21 | 69.1° | 60.0° |
| C01 | C02 | C04 | H22 | 26.6° | 173.1° |
| C01 | C02 | C04 | H23 | 91.9° | 53.2° |
| S1 | C21 | C20 | H7 | 171.9° | 54.4° |
| S1 | C21 | O22 | H9 | 57.0° | 180.0° |
| C21 | S1 | O1 | O2 | 90.0° | 121.2° |
| C21 | S1 | O1 | C3 | 90.0° | 121.1° |
| C21 | S1 | O2 | C3 | 90.0° | 117.5° |
| C21 | S1 | O2 | H34 | 90.0° | 55.1° |
| C21 | S1 | C3 | H37 | 90.0° | 4.8° |
| C21 | S1 | C3 | H38 | 90.0° | 175.1° |
| H1 | C12 | C13 | H2 | 0.4° | 0.0° |
| H2 | C13 | C14 | H3 | 0.9° | 0.0° |
| H3 | C14 | C15 | H4 | 0.7° | 0.0° |
| H4 | C15 | C16 | H5 | 0.1° | 0.0° |
| H6 | N19 | C20 | H7 | 166.2° | 141.8° |
| H7 | C20 | C21 | H8 | 66.9° | 65.6° |
| H7 | C20 | C23 | H28 | 58.8° | 177.1° |
| H7 | C20 | C23 | H29 | 176.7° | 62.9° |
| H8 | C21 | O22 | H9 | 60.7° | 60.0° |
| H8 | C21 | S1 | O1 | 68.9° | 173.8° |
| H8 | C21 | S1 | O2 | 68.9° | 52.6° |
| H8 | C21 | S1 | C3 | 68.9° | 65.1° |
| H10 | C24 | C25 | H11 | 40.1° | 147.9° |
| H10 | C24 | C25 | H12 | 161.3° | 24.2° |
| H10 | C24 | C23 | H28 | 164.8° | 62.8° |
| H10 | C24 | C23 | H29 | 77.2° | 177.2° |
| H11 | C25 | C26 | H13 | 38.1° | 26.3° |
| H11 | C25 | C26 | H14 | 83.5° | 148.2° |
| H12 | C25 | C26 | H13 | 159.4° | 97.5° |
| H12 | C25 | C26 | H14 | 37.8° | 24.4° |
| H13 | C26 | N27 | H30 | 83.4° | 44.1° |
| H14 | C26 | N27 | H30 | 38.2° | 78.0° |
| H15 | C01 | H16 | H17 | 120.0° | 120.0° |
| H15 | C01 | C02 | H18 | 65.3° | 175.9° |
| H16 | C01 | C02 | H18 | 174.7° | 55.9° |
| H17 | C01 | C02 | H18 | 54.7° | 64.1° |
| H18 | C02 | C03 | H19 | 63.6° | 180.0° |
| H18 | C02 | C03 | H20 | 56.4° | 60.0° |
| H18 | C02 | C03 | H21 | 176.4° | 60.0° |
| H18 | C02 | C04 | H22 | 141.7° | 66.9° |
| H18 | C02 | C04 | H23 | 23.2° | 173.1° |
| H19 | C03 | H20 | H21 | 120.0° | 120.0° |
| H22 | C04 | C05 | H24 | 147.8° | 174.4° |
| H23 | C04 | C05 | H24 | 93.7° | 65.6° |
| H24 | C05 | N06 | H25 | 130.2° | 148.7° |
| O1 | S1 | O2 | C3 | 90.0° | 117.5° |
| O1 | S1 | O2 | H34 | 90.0° | 180.0° |
| O1 | S1 | C3 | H37 | 90.0° | 120.1° |
| O1 | S1 | C3 | H38 | 90.0° | 59.9° |
| O2 | S1 | C3 | H37 | 90.0° | 122.4° |
| O2 | S1 | C3 | H38 | 90.0° | 57.6° |
| C3 | S1 | O2 | H34 | 90.0° | 62.5° |
| S1 | C3 | H37 | H38 | 90.0° | 179.9° |
