W1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.25Å | |
| C2 | O3 | sing | 1.35Å | 1.30Å | |
| C2 | C4 | sing | 1.47Å | 1.49Å | |
| C38 | C37 | sing | 1.53Å | 1.49Å | |
| C38 | C36 | sing | 1.53Å | 1.50Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | |
| C5 | N6 | sing | 1.34Å | 1.35Å | |
| C4 | C34 | sing | 1.47Å | 1.42Å | |
| C37 | C36 | sing | 1.53Å | 1.49Å | |
| C36 | N6 | sing | 1.46Å | 1.47Å | |
| N6 | C7 | sing | 1.38Å | 1.40Å | |
| C34 | O35 | doub | 1.22Å | 1.23Å | |
| C34 | C33 | sing | 1.47Å | 1.46Å | |
| C7 | C33 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C30 | doub | 1.37Å | 1.36Å | Aromatic |
| C9 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | N10 | sing | 1.39Å | 1.41Å | |
| C30 | F31 | sing | 1.35Å | 1.34Å | |
| C29 | N10 | sing | 1.47Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| C28 | N13 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N13 | C12 | sing | 1.47Å | 1.48Å | |
| N13 | C14 | sing | 1.35Å | 1.38Å | |
| O27 | C14 | doub | 1.22Å | 1.23Å | |
| C14 | N15 | sing | 1.35Å | 1.36Å | |
| N15 | C16 | sing | 1.46Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | S21 | sing | 1.76Å | 1.80Å | |
| N23 | S21 | sing | 1.66Å | 1.65Å | |
| O24 | S21 | doub | 1.42Å | 1.45Å | |
| S21 | O22 | doub | 1.42Å | 1.44Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| N15 | H11 | sing | 0.97Å | 1.00Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| N23 | H13 | sing | 0.97Å | 1.00Å | |
| N23 | H14 | sing | 0.97Å | 1.00Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | O3 | 127.9° | 120.0° |
| O1 | C2 | C4 | 115.4° | 120.0° |
| O3 | C2 | C4 | 116.7° | 119.9° |
| C2 | O3 | H4 | 109.5° | 117.0° |
| C2 | C4 | C5 | 116.9° | 120.5° |
| C2 | C4 | C34 | 122.7° | 120.6° |
| C37 | C38 | C36 | 60.1° | 60.0° |
| C38 | C37 | C36 | 60.1° | 60.0° |
| C38 | C37 | H23 | 120.0° | 117.4° |
| C38 | C37 | H24 | 120.0° | 117.6° |
| C37 | C38 | H25 | 120.0° | 117.5° |
| C37 | C38 | H26 | 120.0° | 117.5° |
| C38 | C36 | C37 | 59.9° | 60.0° |
| C38 | C36 | N6 | 120.3° | 117.5° |
| C38 | C36 | H22 | 113.8° | 117.5° |
| C36 | C38 | H25 | 120.0° | 117.5° |
| C36 | C38 | H26 | 120.0° | 117.5° |
| C4 | C5 | N6 | 124.1° | 122.2° |
| C5 | C4 | C34 | 120.2° | 118.9° |
| C4 | C5 | H5 | 118.0° | 118.9° |
| C5 | N6 | C36 | 119.9° | 118.6° |
| C5 | N6 | C7 | 119.4° | 122.8° |
| N6 | C5 | H5 | 117.9° | 118.9° |
| C4 | C34 | O35 | 123.2° | 121.4° |
| C4 | C34 | C33 | 115.5° | 117.2° |
| C37 | C36 | N6 | 123.9° | 117.5° |
| C37 | C36 | H22 | 113.8° | 117.5° |
| C36 | C37 | H23 | 120.0° | 117.5° |
| C36 | C37 | H24 | 120.0° | 117.6° |
| C36 | N6 | C7 | 120.4° | 118.6° |
| N6 | C36 | H22 | 114.3° | 115.5° |
| N6 | C7 | C33 | 119.0° | 120.3° |
| N6 | C7 | C8 | 120.4° | 120.5° |
| O35 | C34 | C33 | 121.2° | 121.4° |
| C34 | C33 | C7 | 121.7° | 118.6° |
| C34 | C33 | C32 | 118.6° | 121.0° |
| C33 | C7 | C8 | 120.4° | 119.2° |
| C7 | C33 | C32 | 119.5° | 120.3° |
| C7 | C8 | C9 | 120.7° | 119.8° |
| C7 | C8 | H6 | 119.7° | 120.1° |
| C33 | C32 | C30 | 118.7° | 119.8° |
| C33 | C32 | H21 | 120.6° | 120.1° |
| C8 | C9 | C30 | 117.0° | 120.5° |
| C8 | C9 | N10 | 122.5° | 119.7° |
| C9 | C8 | H6 | 119.7° | 120.1° |
| C32 | C30 | C9 | 123.7° | 120.3° |
| C32 | C30 | F31 | 117.6° | 119.9° |
| C30 | C32 | H21 | 120.7° | 120.1° |
| C30 | C9 | N10 | 120.4° | 119.8° |
| C9 | C30 | F31 | 118.5° | 119.8° |
| C9 | N10 | C29 | 118.2° | 111.0° |
| C9 | N10 | C11 | 115.7° | 111.0° |
| N10 | C29 | C28 | 111.4° | 109.4° |
| C29 | N10 | C11 | 110.7° | 111.3° |
| N10 | C29 | H19 | 109.0° | 109.5° |
| N10 | C29 | H20 | 109.0° | 109.5° |
| C29 | C28 | N13 | 112.8° | 108.5° |
| C29 | C28 | H17 | 108.7° | 109.7° |
| C29 | C28 | H18 | 108.6° | 109.8° |
| C28 | C29 | H19 | 109.0° | 109.5° |
| C28 | C29 | H20 | 109.0° | 109.5° |
| N10 | C11 | C12 | 108.7° | 109.3° |
| N10 | C11 | H7 | 109.7° | 109.5° |
| N10 | C11 | H8 | 109.7° | 109.5° |
| C28 | N13 | C12 | 114.9° | 118.3° |
| C28 | N13 | C14 | 115.6° | 120.9° |
| N13 | C28 | H17 | 108.6° | 109.6° |
| N13 | C28 | H18 | 108.6° | 109.6° |
| C11 | C12 | N13 | 111.3° | 108.5° |
| C12 | C11 | H7 | 109.7° | 109.5° |
| C12 | C11 | H8 | 109.7° | 109.5° |
| C11 | C12 | H9 | 109.0° | 109.6° |
| C11 | C12 | H10 | 109.0° | 109.6° |
| C12 | N13 | C14 | 128.2° | 120.8° |
| N13 | C12 | H9 | 109.0° | 109.7° |
| N13 | C12 | H10 | 109.0° | 109.8° |
| N13 | C14 | O27 | 123.7° | 120.0° |
| N13 | C14 | N15 | 119.4° | 120.0° |
| O27 | C14 | N15 | 116.6° | 120.0° |
| C14 | N15 | C16 | 117.0° | 120.0° |
| C14 | N15 | H11 | 121.5° | 120.0° |
| N15 | C16 | C17 | 113.0° | 109.5° |
| N15 | C16 | H1 | 108.6° | 109.5° |
| N15 | C16 | H2 | 108.6° | 109.5° |
| C16 | N15 | H11 | 121.5° | 120.0° |
| C16 | C17 | C18 | 119.5° | 120.0° |
| C16 | C17 | C26 | 121.0° | 120.0° |
| C17 | C16 | H1 | 108.6° | 109.5° |
| C17 | C16 | H2 | 108.5° | 109.4° |
| C18 | C17 | C26 | 118.3° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C17 | C18 | H3 | 119.6° | 120.0° |
| C17 | C26 | C25 | 121.2° | 120.0° |
| C17 | C26 | H16 | 119.4° | 120.1° |
| C18 | C19 | C20 | 119.5° | 120.0° |
| C19 | C18 | H3 | 119.6° | 120.0° |
| C18 | C19 | H12 | 120.2° | 120.0° |
| C26 | C25 | C20 | 120.3° | 120.0° |
| C26 | C25 | H15 | 119.9° | 119.9° |
| C25 | C26 | H16 | 119.4° | 120.0° |
| C19 | C20 | C25 | 119.9° | 120.0° |
| C19 | C20 | S21 | 122.6° | 120.0° |
| C20 | C19 | H12 | 120.3° | 120.0° |
| C25 | C20 | S21 | 117.5° | 120.0° |
| C20 | C25 | H15 | 119.9° | 120.0° |
| C20 | S21 | N23 | 109.4° | 107.2° |
| C20 | S21 | O24 | 103.7° | 106.4° |
| C20 | S21 | O22 | 107.5° | 106.4° |
| N23 | S21 | O24 | 108.5° | 106.4° |
| N23 | S21 | O22 | 108.6° | 106.4° |
| S21 | N23 | H13 | 109.5° | 120.0° |
| S21 | N23 | H14 | 109.5° | 120.0° |
| O24 | S21 | O22 | 118.7° | 123.2° |
| H1 | C16 | H2 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.6° |
| H13 | N23 | H14 | 109.4° | 120.0° |
| H17 | C28 | H18 | 109.4° | 109.6° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H23 | C37 | H24 | 109.5° | 115.5° |
| H25 | C38 | H26 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | O3 | C4 | 179.4° | 180.0° |
| O1 | C2 | C4 | C5 | 20.9° | 0.3° |
| O1 | C2 | C4 | C34 | 154.6° | 180.0° |
| O1 | C2 | O3 | H4 | 0.0° | 0.0° |
| O3 | C2 | C4 | C5 | 159.7° | 179.8° |
| O3 | C2 | C4 | C34 | 24.8° | 0.0° |
| C2 | C4 | C5 | C34 | 175.6° | 179.7° |
| C2 | C4 | C5 | N6 | 176.9° | 179.7° |
| C2 | C4 | C34 | O35 | 0.8° | 0.0° |
| C2 | C4 | C34 | C33 | 175.1° | 180.0° |
| C4 | C2 | O3 | H4 | 179.3° | 180.0° |
| C2 | C4 | C5 | H5 | 3.1° | 0.2° |
| C37 | C38 | C36 | H25 | 109.5° | 107.5° |
| C37 | C38 | C36 | H26 | 109.5° | 107.5° |
| C38 | C37 | C36 | H23 | 109.5° | 107.4° |
| C38 | C37 | C36 | H24 | 109.5° | 107.5° |
| C37 | C38 | C36 | N6 | 114.1° | 107.5° |
| C37 | C38 | C36 | H22 | 104.7° | 107.4° |
| C38 | C37 | H23 | H24 | 144.7° | 145.7° |
| C37 | C38 | H25 | H26 | 144.7° | 145.7° |
| C38 | C36 | N6 | C5 | 39.8° | 3.5° |
| C38 | C36 | N6 | H22 | 141.0° | 145.8° |
| C38 | C36 | N6 | C7 | 146.0° | 176.4° |
| C36 | C38 | H25 | H26 | 144.7° | 145.6° |
| C4 | C5 | N6 | H5 | 180.0° | 180.0° |
| C4 | C5 | N6 | C36 | 176.8° | 180.0° |
| C4 | C5 | N6 | C7 | 2.7° | 0.0° |
| C5 | C4 | C34 | O35 | 176.2° | 179.8° |
| C5 | C4 | C34 | C33 | 0.2° | 0.3° |
| N6 | C5 | C4 | C34 | 1.3° | 0.0° |
| C5 | N6 | C36 | C37 | 111.9° | 65.1° |
| C5 | N6 | C36 | C7 | 174.1° | 180.0° |
| C5 | N6 | C7 | C33 | 2.4° | 0.3° |
| C5 | N6 | C7 | C8 | 172.5° | 179.7° |
| C5 | N6 | C36 | H22 | 101.2° | 149.3° |
| C4 | C34 | O35 | C33 | 175.7° | 180.0° |
| C4 | C34 | C33 | C7 | 0.3° | 0.6° |
| C4 | C34 | C33 | C32 | 174.6° | 179.5° |
| C34 | C4 | C5 | H5 | 178.7° | 180.0° |
| C37 | C36 | N6 | H22 | 146.9° | 145.6° |
| C37 | C36 | N6 | C7 | 74.0° | 114.9° |
| C36 | C37 | H23 | H24 | 144.7° | 145.8° |
| C36 | N6 | C7 | C33 | 176.6° | 179.7° |
| C36 | N6 | C7 | C8 | 1.6° | 0.2° |
| C36 | N6 | C5 | H5 | 3.2° | 0.0° |
| N6 | C36 | C37 | H23 | 142.3° | 0.1° |
| N6 | C36 | C37 | H24 | 1.3° | 145.0° |
| N6 | C36 | C38 | H25 | 4.6° | 145.0° |
| N6 | C36 | C38 | H26 | 136.4° | 0.1° |
| N6 | C7 | C33 | C34 | 1.0° | 0.6° |
| N6 | C7 | C33 | C8 | 175.0° | 179.5° |
| N6 | C7 | C33 | C32 | 175.9° | 179.5° |
| N6 | C7 | C8 | C9 | 175.3° | 179.5° |
| C7 | N6 | C5 | H5 | 177.3° | 180.0° |
| N6 | C7 | C8 | H6 | 4.6° | 0.5° |
| C7 | N6 | C36 | H22 | 73.0° | 30.7° |
| O35 | C34 | C33 | C7 | 176.3° | 179.5° |
| O35 | C34 | C33 | C32 | 1.4° | 0.4° |
| C34 | C33 | C7 | C32 | 174.9° | 179.9° |
| C34 | C33 | C7 | C8 | 174.0° | 180.0° |
| C34 | C33 | C32 | C30 | 174.2° | 180.0° |
| C34 | C33 | C32 | H21 | 5.8° | 0.1° |
| C33 | C7 | C8 | C9 | 0.4° | 0.0° |
| C7 | C33 | C32 | C30 | 0.8° | 0.1° |
| C33 | C7 | C8 | H6 | 179.5° | 180.0° |
| C7 | C33 | C32 | H21 | 179.2° | 180.0° |
| C8 | C7 | C33 | C32 | 0.9° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C30 | 0.1° | 0.0° |
| C7 | C8 | C9 | N10 | 177.5° | 180.0° |
| C33 | C32 | C30 | H21 | 180.0° | 180.0° |
| C33 | C32 | C30 | C9 | 0.3° | 0.1° |
| C33 | C32 | C30 | F31 | 175.5° | 180.0° |
| C8 | C9 | C30 | C32 | 0.2° | 0.1° |
| C8 | C9 | C30 | N10 | 177.5° | 180.0° |
| C8 | C9 | C30 | F31 | 175.0° | 180.0° |
| C8 | C9 | N10 | C29 | 13.4° | 64.3° |
| C8 | C9 | N10 | C11 | 121.3° | 60.0° |
| C32 | C30 | C9 | F31 | 175.2° | 179.9° |
| C32 | C30 | C9 | N10 | 177.7° | 180.0° |
| C30 | C9 | N10 | C29 | 164.0° | 115.7° |
| C30 | C9 | N10 | C11 | 61.3° | 120.0° |
| C30 | C9 | C8 | H6 | 179.9° | 179.9° |
| C9 | C30 | C32 | H21 | 179.8° | 180.0° |
| N10 | C9 | C30 | F31 | 2.5° | 0.1° |
| C9 | N10 | C29 | C11 | 136.8° | 124.2° |
| C9 | N10 | C29 | C28 | 164.0° | 172.7° |
| C9 | N10 | C11 | C12 | 158.4° | 172.7° |
| N10 | C9 | C8 | H6 | 2.5° | 0.0° |
| C9 | N10 | C11 | H7 | 38.5° | 52.8° |
| C9 | N10 | C11 | H8 | 81.7° | 67.3° |
| C9 | N10 | C29 | H19 | 75.7° | 67.3° |
| C9 | N10 | C29 | H20 | 43.7° | 52.7° |
| F31 | C30 | C32 | H21 | 4.6° | 0.1° |
| N10 | C29 | C28 | H19 | 120.3° | 120.0° |
| N10 | C29 | C28 | H20 | 120.3° | 120.0° |
| N10 | C29 | C28 | N13 | 47.9° | 53.8° |
| C29 | N10 | C11 | C12 | 63.7° | 63.1° |
| C29 | N10 | C11 | H7 | 176.5° | 177.0° |
| C29 | N10 | C11 | H8 | 56.2° | 56.9° |
| N10 | C29 | C28 | H17 | 168.4° | 65.9° |
| N10 | C29 | C28 | H18 | 72.6° | 173.6° |
| N10 | C29 | H19 | H20 | 119.1° | 120.1° |
| C28 | C29 | N10 | C11 | 59.2° | 63.1° |
| C29 | C28 | N13 | H17 | 120.5° | 119.7° |
| C29 | C28 | N13 | H18 | 120.5° | 119.9° |
| C29 | C28 | N13 | C12 | 43.6° | 51.2° |
| C29 | C28 | N13 | C14 | 148.4° | 128.9° |
| C29 | C28 | H17 | H18 | 118.5° | 120.6° |
| C28 | C29 | H19 | H20 | 119.1° | 120.1° |
| N10 | C11 | C12 | H7 | 119.9° | 120.0° |
| N10 | C11 | C12 | H8 | 119.9° | 119.9° |
| N10 | C11 | C12 | N13 | 57.5° | 53.8° |
| N10 | C11 | H7 | H8 | 120.3° | 120.1° |
| N10 | C11 | C12 | H9 | 62.8° | 65.9° |
| N10 | C11 | C12 | H10 | 177.8° | 173.7° |
| C11 | N10 | C29 | H19 | 61.1° | 56.9° |
| C11 | N10 | C29 | H20 | 179.5° | 176.9° |
| C28 | N13 | C12 | C11 | 48.5° | 51.2° |
| C28 | N13 | C12 | C14 | 166.3° | 179.9° |
| C28 | N13 | C14 | O27 | 1.0° | 174.8° |
| C28 | N13 | C14 | N15 | 172.5° | 5.1° |
| C28 | N13 | C12 | H9 | 71.8° | 68.5° |
| C28 | N13 | C12 | H10 | 168.8° | 171.0° |
| N13 | C28 | H17 | H18 | 118.5° | 120.4° |
| N13 | C28 | C29 | H19 | 72.4° | 66.1° |
| N13 | C28 | C29 | H20 | 168.2° | 173.8° |
| C11 | C12 | N13 | H9 | 120.3° | 119.7° |
| C11 | C12 | N13 | H10 | 120.3° | 119.8° |
| C11 | C12 | N13 | C14 | 145.2° | 128.9° |
| C12 | C11 | H7 | H8 | 120.4° | 120.1° |
| C11 | C12 | H9 | H10 | 119.2° | 120.4° |
| C12 | N13 | C14 | O27 | 165.1° | 5.3° |
| C12 | N13 | C14 | N15 | 21.3° | 174.8° |
| N13 | C12 | C11 | H7 | 177.4° | 173.8° |
| N13 | C12 | C11 | H8 | 62.4° | 66.1° |
| N13 | C12 | H9 | H10 | 119.2° | 120.6° |
| C12 | N13 | C28 | H17 | 164.1° | 68.5° |
| C12 | N13 | C28 | H18 | 76.9° | 171.1° |
| N13 | C14 | O27 | N15 | 173.8° | 179.9° |
| N13 | C14 | N15 | C16 | 174.9° | 175.1° |
| C14 | N13 | C12 | H9 | 94.5° | 111.4° |
| C14 | N13 | C12 | H10 | 25.0° | 9.1° |
| N13 | C14 | N15 | H11 | 5.1° | 4.9° |
| C14 | N13 | C28 | H17 | 27.8° | 111.4° |
| C14 | N13 | C28 | H18 | 91.1° | 9.0° |
| O27 | C14 | N15 | C16 | 11.1° | 5.0° |
| O27 | C14 | N15 | H11 | 168.9° | 175.0° |
| C14 | N15 | C16 | H11 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 61.7° | 180.0° |
| C14 | N15 | C16 | H1 | 177.8° | 60.0° |
| C14 | N15 | C16 | H2 | 58.8° | 60.0° |
| N15 | C16 | C17 | H1 | 120.5° | 120.0° |
| N15 | C16 | C17 | H2 | 120.5° | 120.0° |
| N15 | C16 | C17 | C18 | 149.7° | 90.0° |
| N15 | C16 | C17 | C26 | 43.0° | 90.3° |
| N15 | C16 | H1 | H2 | 118.4° | 120.0° |
| C16 | C17 | C18 | C26 | 167.6° | 179.7° |
| C16 | C17 | C18 | C19 | 166.9° | 180.0° |
| C16 | C17 | C26 | C25 | 166.0° | 180.0° |
| C17 | C16 | H1 | H2 | 118.3° | 119.9° |
| C16 | C17 | C18 | H3 | 13.2° | 0.0° |
| C17 | C16 | N15 | H11 | 118.3° | 0.0° |
| C16 | C17 | C26 | H16 | 14.0° | 0.0° |
| C17 | C18 | C19 | H3 | 180.0° | 180.0° |
| C18 | C17 | C26 | C25 | 1.4° | 0.3° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C16 | H1 | 89.8° | 150.0° |
| C18 | C17 | C16 | H2 | 29.2° | 30.1° |
| C17 | C18 | C19 | H12 | 179.9° | 180.0° |
| C18 | C17 | C26 | H16 | 178.6° | 179.8° |
| C26 | C17 | C18 | C19 | 0.8° | 0.3° |
| C17 | C26 | C25 | H16 | 180.0° | 179.9° |
| C17 | C26 | C25 | C20 | 1.3° | 0.1° |
| C26 | C17 | C16 | H1 | 77.5° | 29.7° |
| C26 | C17 | C16 | H2 | 163.6° | 149.7° |
| C26 | C17 | C18 | H3 | 179.2° | 179.7° |
| C17 | C26 | C25 | H15 | 178.7° | 179.9° |
| C18 | C19 | C20 | H12 | 180.0° | 180.0° |
| C18 | C19 | C20 | C25 | 0.0° | 0.2° |
| C18 | C19 | C20 | S21 | 179.3° | 180.0° |
| C26 | C25 | C20 | C19 | 0.6° | 0.2° |
| C26 | C25 | C20 | H15 | 180.0° | 180.0° |
| C26 | C25 | C20 | S21 | 178.7° | 180.0° |
| C19 | C20 | C25 | S21 | 179.3° | 179.8° |
| C19 | C20 | S21 | N23 | 132.3° | 90.0° |
| C19 | C20 | S21 | O24 | 16.6° | 156.5° |
| C19 | C20 | S21 | O22 | 110.0° | 23.5° |
| C20 | C19 | C18 | H3 | 179.9° | 180.0° |
| C19 | C20 | C25 | H15 | 179.4° | 179.8° |
| C25 | C20 | S21 | N23 | 47.0° | 89.8° |
| C25 | C20 | S21 | O24 | 162.6° | 23.8° |
| C25 | C20 | S21 | O22 | 70.8° | 156.7° |
| C25 | C20 | C19 | H12 | 180.0° | 179.7° |
| C20 | C25 | C26 | H16 | 178.7° | 180.0° |
| C20 | S21 | N23 | O24 | 112.5° | 113.5° |
| C20 | S21 | N23 | O22 | 117.1° | 113.5° |
| C20 | S21 | O24 | O22 | 119.2° | 122.9° |
| S21 | C20 | C19 | H12 | 0.7° | 0.0° |
| C20 | S21 | N23 | H13 | 180.0° | 0.0° |
| C20 | S21 | N23 | H14 | 60.0° | 180.0° |
| S21 | C20 | C25 | H15 | 1.3° | 0.0° |
| N23 | S21 | O24 | O22 | 124.6° | 123.0° |
| S21 | N23 | H13 | H14 | 120.0° | 179.9° |
| O24 | S21 | N23 | H13 | 67.5° | 113.6° |
| O24 | S21 | N23 | H14 | 52.5° | 66.5° |
| O22 | S21 | N23 | H13 | 62.9° | 113.5° |
| O22 | S21 | N23 | H14 | 177.1° | 66.4° |
| H1 | C16 | N15 | H11 | 2.2° | 120.0° |
| H2 | C16 | N15 | H11 | 121.2° | 120.0° |
| H3 | C18 | C19 | H12 | 0.1° | 0.0° |
| H7 | C11 | C12 | H9 | 57.1° | 54.0° |
| H7 | C11 | C12 | H10 | 62.3° | 66.3° |
| H8 | C11 | C12 | H9 | 177.3° | 174.1° |
| H8 | C11 | C12 | H10 | 57.9° | 53.8° |
| H15 | C25 | C26 | H16 | 1.3° | 0.0° |
| H17 | C28 | C29 | H19 | 48.1° | 174.1° |
| H17 | C28 | C29 | H20 | 71.3° | 54.1° |
| H18 | C28 | C29 | H19 | 167.1° | 53.6° |
| H18 | C28 | C29 | H20 | 47.7° | 66.4° |
| H22 | C36 | C37 | H23 | 4.8° | 145.0° |
| H22 | C36 | C37 | H24 | 145.8° | 0.0° |
| H22 | C36 | C38 | H25 | 145.8° | 0.0° |
| H22 | C36 | C38 | H26 | 4.7° | 145.0° |
| H23 | C37 | C38 | H25 | 141.0° | 145.0° |
| H23 | C37 | C38 | H26 | 0.0° | 0.0° |
| H24 | C37 | C38 | H25 | 0.0° | 0.1° |
| H24 | C37 | C38 | H26 | 141.1° | 145.0° |
