B1S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N11 | C12 | sing | 1.46Å | 1.44Å | |
| N11 | C9 | sing | 1.35Å | 1.46Å | |
| C12 | C17 | sing | 1.51Å | 1.52Å | |
| O8 | C9 | sing | 1.35Å | 1.42Å | |
| O8 | C7 | sing | 1.45Å | 1.41Å | |
| C9 | O10 | doub | 1.22Å | 1.19Å | |
| C7 | C1 | sing | 1.51Å | 1.54Å | |
| C17 | O18 | doub | 1.21Å | 1.18Å | |
| C17 | N19 | sing | 1.35Å | 1.45Å | |
| N19 | C20 | sing | 1.47Å | 1.45Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O22 | C21 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C24 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.55Å | 1.54Å | |
| C25 | C29 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | sing | 1.54Å | 1.38Å | |
| C29 | O30 | doub | 1.21Å | 1.19Å | |
| C29 | N28 | sing | 1.34Å | 1.36Å | |
| C27 | N28 | sing | 1.47Å | 1.59Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| N11 | H8 | sing | 0.97Å | 1.00Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O22 | H23 | sing | 0.97Å | 0.95Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| N28 | H31 | sing | 0.97Å | 1.00Å | |
| C21 | S1 | sing | 1.81Å | 21.44Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | sing | 1.52Å | 0.00Å | |
| O2 | H22 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C16 | 111.9° | 109.5° |
| C15 | C14 | C13 | 111.6° | 109.5° |
| C15 | C14 | H12 | 107.5° | 109.5° |
| C14 | C15 | H13 | 109.5° | 109.5° |
| C14 | C15 | H14 | 109.5° | 109.5° |
| C14 | C15 | H15 | 109.4° | 109.5° |
| C16 | C14 | C13 | 110.4° | 109.5° |
| C16 | C14 | H12 | 107.6° | 109.4° |
| C14 | C16 | H16 | 109.5° | 109.5° |
| C14 | C16 | H17 | 109.4° | 109.5° |
| C14 | C16 | H18 | 109.5° | 109.5° |
| C14 | C13 | C12 | 111.5° | 109.5° |
| C14 | C13 | H10 | 109.0° | 109.5° |
| C14 | C13 | H11 | 109.0° | 109.5° |
| C13 | C14 | H12 | 107.6° | 109.5° |
| C13 | C12 | N11 | 109.1° | 109.5° |
| C13 | C12 | C17 | 110.5° | 109.5° |
| C13 | C12 | H9 | 109.0° | 109.5° |
| C12 | C13 | H10 | 109.0° | 109.5° |
| C12 | C13 | H11 | 109.0° | 109.5° |
| C12 | N11 | C9 | 119.3° | 120.0° |
| N11 | C12 | C17 | 109.3° | 109.4° |
| C12 | N11 | H8 | 120.3° | 120.0° |
| N11 | C12 | H9 | 110.0° | 109.4° |
| N11 | C9 | O8 | 118.1° | 120.0° |
| N11 | C9 | O10 | 119.6° | 119.9° |
| C9 | N11 | H8 | 120.4° | 120.0° |
| C12 | C17 | O18 | 122.1° | 120.1° |
| C12 | C17 | N19 | 116.7° | 120.0° |
| C17 | C12 | H9 | 108.9° | 109.5° |
| C9 | O8 | C7 | 114.4° | 117.1° |
| O8 | C9 | O10 | 122.3° | 120.0° |
| O8 | C7 | C1 | 106.4° | 109.5° |
| O8 | C7 | H1 | 110.2° | 109.5° |
| O8 | C7 | H2 | 110.2° | 109.4° |
| C7 | C1 | C2 | 119.4° | 120.0° |
| C7 | C1 | C6 | 120.4° | 120.1° |
| C1 | C7 | H1 | 110.2° | 109.5° |
| C1 | C7 | H2 | 110.2° | 109.4° |
| O18 | C17 | N19 | 121.2° | 120.0° |
| C17 | N19 | C20 | 121.2° | 120.0° |
| C17 | N19 | H19 | 119.4° | 120.0° |
| N19 | C20 | C21 | 106.7° | 109.5° |
| N19 | C20 | C24 | 106.9° | 109.4° |
| C20 | N19 | H19 | 119.4° | 120.0° |
| N19 | C20 | H20 | 110.7° | 109.5° |
| C2 | C1 | C6 | 120.2° | 119.9° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | H3 | 120.0° | 120.0° |
| C1 | C6 | C5 | 119.6° | 120.0° |
| C1 | C6 | H7 | 120.2° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C3 | C2 | H3 | 120.0° | 120.0° |
| C2 | C3 | H4 | 120.1° | 120.0° |
| O22 | C21 | C20 | 109.7° | 109.5° |
| O22 | C21 | H21 | 122.6° | 109.5° |
| C21 | O22 | H23 | 109.5° | 114.1° |
| O22 | C21 | S1 | 105.7° | 109.5° |
| C6 | C5 | C4 | 120.0° | 120.0° |
| C6 | C5 | H6 | 120.0° | 120.0° |
| C5 | C6 | H7 | 120.2° | 120.0° |
| C21 | C20 | C24 | 113.4° | 109.5° |
| C21 | C20 | H20 | 109.7° | 109.5° |
| C20 | C21 | H21 | 119.9° | 109.5° |
| C20 | C21 | S1 | 101.0° | 109.5° |
| C20 | C24 | C25 | 113.8° | 109.5° |
| C24 | C20 | H20 | 109.4° | 109.5° |
| C20 | C24 | H24 | 108.4° | 109.5° |
| C20 | C24 | H25 | 108.4° | 109.4° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | H4 | 120.1° | 120.0° |
| C3 | C4 | H5 | 119.8° | 120.0° |
| C5 | C4 | H5 | 119.8° | 120.1° |
| C4 | C5 | H6 | 120.0° | 119.9° |
| C24 | C25 | C26 | 109.7° | 110.5° |
| C24 | C25 | C29 | 111.2° | 110.5° |
| C25 | C24 | H24 | 108.4° | 109.5° |
| C25 | C24 | H25 | 108.4° | 109.4° |
| C24 | C25 | H26 | 109.8° | 110.4° |
| C26 | C25 | C29 | 106.1° | 104.2° |
| C25 | C26 | C27 | 106.7° | 101.7° |
| C26 | C25 | H26 | 109.9° | 110.5° |
| C25 | C26 | H27 | 110.1° | 111.0° |
| C25 | C26 | H28 | 110.2° | 111.0° |
| C25 | C29 | O30 | 127.1° | 124.9° |
| C25 | C29 | N28 | 107.9° | 110.1° |
| C29 | C25 | H26 | 110.2° | 110.6° |
| C26 | C27 | N28 | 107.0° | 105.5° |
| C27 | C26 | H27 | 110.2° | 111.0° |
| C27 | C26 | H28 | 110.2° | 111.0° |
| C26 | C27 | H29 | 110.1° | 110.2° |
| C26 | C27 | H30 | 110.1° | 110.3° |
| O30 | C29 | N28 | 125.0° | 125.0° |
| C29 | N28 | C27 | 108.9° | 111.3° |
| C29 | N28 | H31 | 125.6° | 124.4° |
| N28 | C27 | H29 | 110.1° | 110.3° |
| N28 | C27 | H30 | 110.1° | 110.3° |
| C27 | N28 | H31 | 125.5° | 124.3° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.4° | 109.4° |
| H13 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H18 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H21 | C21 | S1 | 92.0° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 110.8° |
| H29 | C27 | H30 | 109.5° | 110.3° |
| C21 | S1 | O1 | 90.0° | 110.6° |
| C21 | S1 | O3 | 90.0° | 110.6° |
| C21 | S1 | O2 | 90.0° | 104.4° |
| O1 | S1 | O3 | 90.0° | 121.1° |
| O1 | S1 | O2 | 90.0° | 104.2° |
| O3 | S1 | O2 | 90.0° | 104.2° |
| S1 | O2 | H22 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C16 | C13 | 125.0° | 120.0° |
| C15 | C14 | C16 | H12 | 117.9° | 120.0° |
| C15 | C14 | C13 | H12 | 117.8° | 120.0° |
| C15 | C14 | C13 | C12 | 173.6° | 66.3° |
| C15 | C14 | C13 | H10 | 66.1° | 53.7° |
| C15 | C14 | C13 | H11 | 53.3° | 173.7° |
| C14 | C15 | H13 | H14 | 120.0° | 120.0° |
| C14 | C15 | H13 | H15 | 120.0° | 120.0° |
| C14 | C15 | H14 | H15 | 120.0° | 120.0° |
| C15 | C14 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C16 | H17 | 60.0° | 60.0° |
| C15 | C14 | C16 | H18 | 60.0° | 60.0° |
| C16 | C14 | C13 | H12 | 117.2° | 119.9° |
| C16 | C14 | C13 | C12 | 61.3° | 173.7° |
| C16 | C14 | C13 | H10 | 59.0° | 66.3° |
| C16 | C14 | C13 | H11 | 178.4° | 53.7° |
| C16 | C14 | C15 | H13 | 180.0° | 176.2° |
| C16 | C14 | C15 | H14 | 60.0° | 56.2° |
| C16 | C14 | C15 | H15 | 60.0° | 63.8° |
| C14 | C16 | H16 | H17 | 120.0° | 120.1° |
| C14 | C16 | H16 | H18 | 120.0° | 120.0° |
| C14 | C16 | H17 | H18 | 120.0° | 120.0° |
| C14 | C13 | C12 | H10 | 120.3° | 120.0° |
| C14 | C13 | C12 | H11 | 120.3° | 120.0° |
| C14 | C13 | C12 | N11 | 58.0° | 173.7° |
| C14 | C13 | C12 | C17 | 178.2° | 66.3° |
| C14 | C13 | C12 | H9 | 62.2° | 53.8° |
| C14 | C13 | H10 | H11 | 119.1° | 120.0° |
| C13 | C14 | C15 | H13 | 55.7° | 56.2° |
| C13 | C14 | C15 | H14 | 64.3° | 63.8° |
| C13 | C14 | C15 | H15 | 175.7° | 176.2° |
| C13 | C14 | C16 | H16 | 55.0° | 59.9° |
| C13 | C14 | C16 | H17 | 175.0° | 180.0° |
| C13 | C14 | C16 | H18 | 65.0° | 60.0° |
| C13 | C12 | N11 | C17 | 121.0° | 120.0° |
| C13 | C12 | N11 | H9 | 119.5° | 120.0° |
| C13 | C12 | N11 | C9 | 174.1° | 88.0° |
| C13 | C12 | C17 | H9 | 119.7° | 120.0° |
| C13 | C12 | C17 | O18 | 83.5° | 106.8° |
| C13 | C12 | C17 | N19 | 96.3° | 73.3° |
| C13 | C12 | N11 | H8 | 5.9° | 92.0° |
| C12 | C13 | H10 | H11 | 119.1° | 120.0° |
| C12 | C13 | C14 | H12 | 55.9° | 53.7° |
| C12 | N11 | C9 | H8 | 180.0° | 180.0° |
| N11 | C12 | C17 | H9 | 120.2° | 120.0° |
| C12 | N11 | C9 | O8 | 157.9° | 175.0° |
| C12 | N11 | C9 | O10 | 22.4° | 5.0° |
| N11 | C12 | C17 | O18 | 36.6° | 13.2° |
| N11 | C12 | C17 | N19 | 143.6° | 166.7° |
| N11 | C12 | C13 | H10 | 178.3° | 53.7° |
| N11 | C12 | C13 | H11 | 62.3° | 66.3° |
| C9 | N11 | C12 | C17 | 53.2° | 152.0° |
| N11 | C9 | O8 | O10 | 179.7° | 180.0° |
| N11 | C9 | O8 | C7 | 169.6° | 180.0° |
| C9 | N11 | C12 | H9 | 66.4° | 32.0° |
| C12 | C17 | O18 | N19 | 179.8° | 179.9° |
| C12 | C17 | N19 | C20 | 179.3° | 175.2° |
| C17 | C12 | N11 | H8 | 126.8° | 28.0° |
| C17 | C12 | C13 | H10 | 61.5° | 173.7° |
| C17 | C12 | C13 | H11 | 57.9° | 53.7° |
| C12 | C17 | N19 | H19 | 0.7° | 4.7° |
| C9 | O8 | C7 | C1 | 97.3° | 180.0° |
| C9 | O8 | C7 | H1 | 143.2° | 59.9° |
| C9 | O8 | C7 | H2 | 22.2° | 60.0° |
| O8 | C9 | N11 | H8 | 22.1° | 5.0° |
| C7 | O8 | C9 | O10 | 10.1° | 0.0° |
| O8 | C7 | C1 | H1 | 119.5° | 120.1° |
| O8 | C7 | C1 | H2 | 119.5° | 120.0° |
| O8 | C7 | C1 | C2 | 5.7° | 90.0° |
| O8 | C7 | C1 | C6 | 173.2° | 90.3° |
| O8 | C7 | H1 | H2 | 121.4° | 119.9° |
| O10 | C9 | N11 | H8 | 157.6° | 175.0° |
| C7 | C1 | C2 | C6 | 179.0° | 179.7° |
| C7 | C1 | C2 | C3 | 179.4° | 180.0° |
| C7 | C1 | C6 | C5 | 178.8° | 179.7° |
| C1 | C7 | H1 | H2 | 121.4° | 120.0° |
| C7 | C1 | C2 | H3 | 0.6° | 0.0° |
| C7 | C1 | C6 | H7 | 1.2° | 0.1° |
| O18 | C17 | N19 | C20 | 0.9° | 4.7° |
| O18 | C17 | C12 | H9 | 156.8° | 133.2° |
| O18 | C17 | N19 | H19 | 179.1° | 175.3° |
| C17 | N19 | C20 | H19 | 180.0° | 180.0° |
| C17 | N19 | C20 | C21 | 123.4° | 58.5° |
| C17 | N19 | C20 | C24 | 114.9° | 61.6° |
| N19 | C17 | C12 | H9 | 23.4° | 46.7° |
| C17 | N19 | C20 | H20 | 4.2° | 178.5° |
| N19 | C20 | C21 | O22 | 59.8° | 178.4° |
| N19 | C20 | C21 | C24 | 117.4° | 120.0° |
| N19 | C20 | C21 | H20 | 119.9° | 120.0° |
| N19 | C20 | C24 | H20 | 119.9° | 120.0° |
| N19 | C20 | C24 | C25 | 74.6° | 63.2° |
| N19 | C20 | C21 | H21 | 150.3° | 58.4° |
| N19 | C20 | C24 | H24 | 46.1° | 56.9° |
| N19 | C20 | C24 | H25 | 164.8° | 176.9° |
| N19 | C20 | C21 | S1 | 51.5° | 61.6° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.6° |
| C1 | C2 | C3 | C4 | 0.7° | 0.1° |
| C2 | C1 | C7 | H1 | 125.2° | 30.1° |
| C2 | C1 | C7 | H2 | 113.8° | 150.0° |
| C1 | C2 | C3 | H4 | 179.3° | 180.0° |
| C2 | C1 | C6 | H7 | 179.9° | 179.8° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C1 | C6 | C5 | H7 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.4° | 0.5° |
| C6 | C1 | C7 | H1 | 53.7° | 149.7° |
| C6 | C1 | C7 | H2 | 67.2° | 29.7° |
| C6 | C1 | C2 | H3 | 179.6° | 179.7° |
| C1 | C6 | C5 | H6 | 179.6° | 179.7° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H5 | 179.6° | 180.0° |
| O22 | C21 | C20 | H21 | 149.9° | 120.0° |
| O22 | C21 | C20 | S1 | 111.3° | 120.0° |
| O22 | C21 | C20 | C24 | 177.2° | 58.4° |
| O22 | C21 | C20 | H20 | 60.2° | 61.6° |
| O22 | C21 | H21 | S1 | 110.2° | 120.0° |
| O22 | C21 | S1 | O1 | 90.0° | 63.6° |
| O22 | C21 | S1 | O3 | 90.0° | 73.3° |
| O22 | C21 | S1 | O2 | 90.0° | 175.1° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | H6 | 180.0° | 179.8° |
| C6 | C5 | C4 | H5 | 179.9° | 179.7° |
| C21 | C20 | C24 | H20 | 122.8° | 120.0° |
| C21 | C20 | C24 | C25 | 168.1° | 176.8° |
| C21 | C20 | N19 | H19 | 56.6° | 121.5° |
| C20 | C21 | H21 | S1 | 103.9° | 120.0° |
| C20 | C21 | O22 | H23 | 180.0° | 60.0° |
| C21 | C20 | C24 | H24 | 71.2° | 63.1° |
| C21 | C20 | C24 | H25 | 47.5° | 56.9° |
| C20 | C21 | S1 | O1 | 90.0° | 56.4° |
| C20 | C21 | S1 | O3 | 90.0° | 166.7° |
| C20 | C21 | S1 | O2 | 90.0° | 55.2° |
| C20 | C24 | C25 | H24 | 120.6° | 120.0° |
| C20 | C24 | C25 | H25 | 120.7° | 120.0° |
| C20 | C24 | C25 | C26 | 58.9° | 65.7° |
| C20 | C24 | C25 | C29 | 175.9° | 179.5° |
| C24 | C20 | N19 | H19 | 65.0° | 118.5° |
| C24 | C20 | C21 | H21 | 32.9° | 61.6° |
| C20 | C24 | H24 | H25 | 118.0° | 120.0° |
| C20 | C24 | C25 | H26 | 61.9° | 56.8° |
| C24 | C20 | C21 | S1 | 65.9° | 178.4° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | H3 | 179.3° | 180.0° |
| C3 | C4 | C5 | H6 | 179.9° | 180.0° |
| C5 | C4 | C3 | H4 | 179.6° | 180.0° |
| C4 | C5 | C6 | H7 | 179.6° | 179.8° |
| C24 | C25 | C26 | C29 | 120.2° | 118.7° |
| C24 | C25 | C26 | H26 | 120.8° | 122.4° |
| C24 | C25 | C29 | H26 | 122.0° | 122.5° |
| C24 | C25 | C26 | C27 | 138.2° | 143.5° |
| C24 | C25 | C29 | O30 | 50.7° | 45.1° |
| C24 | C25 | C29 | N28 | 129.0° | 135.0° |
| C25 | C24 | C20 | H20 | 45.4° | 56.8° |
| C25 | C24 | H24 | H25 | 118.0° | 119.9° |
| C24 | C25 | C26 | H27 | 18.6° | 25.4° |
| C24 | C25 | C26 | H28 | 102.3° | 98.4° |
| C26 | C25 | C29 | H26 | 118.8° | 118.8° |
| C25 | C26 | C27 | H27 | 119.5° | 118.1° |
| C25 | C26 | C27 | H28 | 119.6° | 118.2° |
| C26 | C25 | C29 | O30 | 169.9° | 163.8° |
| C26 | C25 | C29 | N28 | 9.8° | 16.3° |
| C25 | C26 | C27 | N28 | 18.2° | 25.4° |
| C26 | C25 | C24 | H24 | 179.5° | 174.3° |
| C26 | C25 | C24 | H25 | 61.8° | 54.3° |
| C25 | C26 | H27 | H28 | 121.3° | 123.9° |
| C25 | C26 | C27 | H29 | 137.8° | 144.4° |
| C25 | C26 | C27 | H30 | 101.4° | 93.6° |
| C29 | C25 | C26 | C27 | 18.0° | 24.8° |
| C25 | C29 | O30 | N28 | 179.6° | 179.9° |
| C25 | C29 | N28 | C27 | 1.0° | 0.4° |
| C29 | C25 | C24 | H24 | 63.5° | 59.5° |
| C29 | C25 | C24 | H25 | 55.2° | 60.5° |
| C29 | C25 | C26 | H27 | 101.6° | 93.3° |
| C29 | C25 | C26 | H28 | 137.5° | 142.9° |
| C25 | C29 | N28 | H31 | 179.0° | 179.6° |
| C26 | C27 | N28 | C29 | 12.8° | 17.0° |
| C26 | C27 | N28 | H29 | 119.6° | 119.0° |
| C26 | C27 | N28 | H30 | 119.6° | 119.0° |
| C27 | C26 | C25 | H26 | 101.1° | 94.0° |
| C27 | C26 | H27 | H28 | 121.3° | 123.8° |
| C26 | C27 | H29 | H30 | 121.1° | 122.0° |
| C26 | C27 | N28 | H31 | 167.2° | 163.0° |
| O30 | C29 | N28 | C27 | 179.3° | 179.6° |
| O30 | C29 | C25 | H26 | 71.2° | 77.5° |
| O30 | C29 | N28 | H31 | 0.7° | 0.5° |
| C29 | N28 | C27 | H31 | 180.0° | 180.0° |
| N28 | C29 | C25 | H26 | 109.1° | 102.5° |
| C29 | N28 | C27 | H29 | 132.4° | 136.0° |
| C29 | N28 | C27 | H30 | 106.8° | 102.0° |
| N28 | C27 | C26 | H27 | 101.3° | 92.7° |
| N28 | C27 | C26 | H28 | 137.8° | 143.6° |
| N28 | C27 | H29 | H30 | 121.2° | 122.0° |
| H3 | C2 | C3 | H4 | 0.6° | 0.0° |
| H4 | C3 | C4 | H5 | 0.4° | 0.0° |
| H5 | C4 | C5 | H6 | 0.1° | 0.0° |
| H6 | C5 | C6 | H7 | 0.4° | 0.0° |
| H8 | N11 | C12 | H9 | 113.6° | 148.0° |
| H9 | C12 | C13 | H10 | 58.1° | 66.3° |
| H9 | C12 | C13 | H11 | 177.5° | 173.7° |
| H10 | C13 | C14 | H12 | 176.2° | 173.7° |
| H11 | C13 | C14 | H12 | 64.4° | 66.3° |
| H12 | C14 | C15 | H13 | 62.1° | 63.8° |
| H12 | C14 | C15 | H14 | 178.0° | 176.2° |
| H12 | C14 | C15 | H15 | 57.9° | 56.1° |
| H12 | C14 | C16 | H16 | 62.1° | 60.0° |
| H12 | C14 | C16 | H17 | 57.9° | 60.0° |
| H12 | C14 | C16 | H18 | 177.9° | 179.9° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
| H16 | C16 | H17 | H18 | 120.0° | 119.9° |
| H19 | N19 | C20 | H20 | 175.9° | 1.5° |
| H20 | C20 | C21 | H21 | 89.7° | 178.4° |
| H20 | C20 | C24 | H24 | 166.0° | 176.8° |
| H20 | C20 | C24 | H25 | 75.3° | 63.1° |
| H20 | C20 | C21 | S1 | 171.5° | 58.4° |
| H21 | C21 | O22 | H23 | 31.1° | 60.0° |
| H21 | C21 | S1 | O1 | 90.0° | 176.4° |
| H21 | C21 | S1 | O3 | 90.0° | 46.7° |
| H21 | C21 | S1 | O2 | 90.0° | 64.9° |
| H23 | O22 | C21 | S1 | 71.8° | 180.0° |
| H24 | C24 | C25 | H26 | 58.7° | 63.2° |
| H25 | C24 | C25 | H26 | 177.4° | 176.8° |
| H26 | C25 | C26 | H27 | 139.4° | 147.9° |
| H26 | C25 | C26 | H28 | 18.5° | 24.1° |
| H27 | C26 | C27 | H29 | 18.3° | 26.3° |
| H27 | C26 | C27 | H30 | 139.1° | 148.2° |
| H28 | C26 | C27 | H29 | 102.6° | 97.4° |
| H28 | C26 | C27 | H30 | 18.2° | 24.5° |
| H29 | C27 | N28 | H31 | 47.6° | 44.0° |
| H30 | C27 | N28 | H31 | 73.2° | 78.0° |
| C21 | S1 | O1 | O3 | 90.0° | 131.6° |
| C21 | S1 | O1 | O2 | 90.0° | 111.7° |
| C21 | S1 | O3 | O2 | 90.0° | 111.7° |
| C21 | S1 | O2 | H22 | 90.0° | 180.0° |
| O1 | S1 | O3 | O2 | 90.0° | 116.7° |
| O1 | S1 | O2 | H22 | 90.0° | 64.0° |
| O3 | S1 | O2 | H22 | 90.0° | 63.9° |
