OWU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C24 | sing | 1.43Å | 1.42Å | |
| O5 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.54Å | 1.53Å | |
| C23 | C17 | sing | 1.54Å | 1.53Å | |
| C24 | C16 | sing | 1.54Å | 1.53Å | |
| C16 | N10 | sing | 1.46Å | 1.46Å | |
| C16 | O1 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | O1 | sing | 1.44Å | 1.45Å | |
| O3 | S | doub | 1.42Å | 1.43Å | |
| C18 | N11 | sing | 1.49Å | 1.47Å | |
| N9 | C15 | doub | 1.33Å | 1.34Å | Aromatic |
| N9 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| N10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | N8 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.44Å | 1.42Å | |
| C10 | C9 | trip | 1.20Å | 1.20Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| S | N11 | sing | 1.67Å | 1.63Å | |
| S | C19 | sing | 1.81Å | 1.78Å | |
| C11 | N6 | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | N5 | sing | 1.50Å | 1.46Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C22 | N5 | sing | 1.50Å | 1.46Å | |
| C12 | N6 | sing | 1.35Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| N8 | C13 | sing | 1.33Å | 1.35Å | Aromatic |
| N12 | C21 | sing | 1.37Å | 1.33Å | |
| N12 | C20 | sing | 1.48Å | 1.46Å | |
| C21 | O4 | doub | 1.21Å | 1.23Å | |
| N5 | C7 | sing | 1.51Å | 1.47Å | |
| C13 | N7 | sing | 1.38Å | 1.34Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O | C6 | sing | 1.44Å | 1.44Å | |
| O | C5 | sing | 1.44Å | 1.42Å | |
| C6 | C25 | sing | 1.54Å | 1.53Å | |
| N2 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N4 | sing | 1.46Å | 1.46Å | |
| C5 | C26 | sing | 1.55Å | 1.54Å | |
| C2 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| N4 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C | doub | 1.33Å | 1.35Å | Aromatic |
| C25 | O7 | sing | 1.43Å | 1.42Å | |
| C25 | C26 | sing | 1.55Å | 1.54Å | |
| C3 | C | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | N3 | sing | 1.35Å | 1.39Å | Aromatic |
| C | N | sing | 1.38Å | 1.34Å | |
| C4 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| C26 | O8 | sing | 1.43Å | 1.42Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| O5 | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.10Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| N11 | H27 | sing | 0.97Å | 1.00Å | |
| N12 | H28 | sing | 0.97Å | 1.00Å | |
| N7 | H30 | sing | 0.97Å | 1.00Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å | |
| O6 | H32 | sing | 0.97Å | 0.95Å | |
| O7 | H33 | sing | 0.97Å | 0.95Å | |
| O8 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C24 | C23 | 111.3° | 110.2° |
| O6 | C24 | C16 | 112.2° | 110.4° |
| O6 | C24 | H24 | 111.8° | 110.0° |
| C24 | O6 | H32 | 109.5° | 114.0° |
| O5 | C23 | C24 | 111.7° | 109.9° |
| O5 | C23 | C17 | 109.7° | 110.4° |
| C23 | O5 | H6 | 109.5° | 114.0° |
| O5 | C23 | H23 | 111.9° | 110.6° |
| C24 | C23 | C17 | 102.3° | 104.9° |
| C23 | C24 | C16 | 100.4° | 104.5° |
| C24 | C23 | H23 | 110.4° | 110.3° |
| C23 | C24 | H24 | 110.3° | 110.6° |
| C23 | C17 | C18 | 115.7° | 110.3° |
| C23 | C17 | O1 | 105.9° | 106.6° |
| C23 | C17 | H14 | 107.9° | 109.9° |
| C17 | C23 | H23 | 110.4° | 110.5° |
| C24 | C16 | N10 | 116.2° | 111.2° |
| C24 | C16 | O1 | 105.5° | 108.4° |
| C24 | C16 | H13 | 107.9° | 108.2° |
| C16 | C24 | H24 | 110.2° | 111.0° |
| N10 | C16 | O1 | 109.0° | 111.1° |
| C16 | N10 | C15 | 127.1° | 124.4° |
| C16 | N10 | C11 | 127.1° | 128.5° |
| N10 | C16 | H13 | 108.8° | 109.4° |
| C16 | O1 | C17 | 109.6° | 109.5° |
| O1 | C16 | H13 | 109.4° | 108.5° |
| C18 | C17 | O1 | 110.2° | 109.5° |
| C17 | C18 | N11 | 111.2° | 108.7° |
| C18 | C17 | H14 | 108.0° | 110.8° |
| C17 | C18 | H15 | 109.0° | 109.7° |
| C17 | C18 | H16 | 109.0° | 109.6° |
| O1 | C17 | H14 | 108.9° | 109.7° |
| O3 | S | O2 | 119.3° | 121.1° |
| O3 | S | N11 | 106.8° | 104.2° |
| O3 | S | C19 | 108.1° | 110.6° |
| C18 | N11 | S | 119.4° | 115.0° |
| N11 | C18 | H15 | 109.1° | 109.9° |
| N11 | C18 | H16 | 109.0° | 109.5° |
| C18 | N11 | H27 | 106.9° | 122.9° |
| C15 | N9 | C14 | 111.2° | 120.3° |
| N9 | C15 | N10 | 127.8° | 134.1° |
| N9 | C15 | C12 | 126.6° | 119.6° |
| N9 | C14 | N8 | 128.8° | 122.5° |
| N9 | C14 | H12 | 115.6° | 118.7° |
| C15 | N10 | C11 | 105.8° | 107.1° |
| N10 | C15 | C12 | 105.5° | 106.4° |
| N10 | C11 | C10 | 121.5° | 126.4° |
| N10 | C11 | N6 | 113.9° | 109.6° |
| C15 | C12 | N6 | 111.1° | 107.3° |
| C15 | C12 | C13 | 116.9° | 118.0° |
| C14 | N8 | C13 | 118.8° | 121.5° |
| N8 | C14 | H12 | 115.6° | 118.8° |
| C11 | C10 | C9 | 166.6° | 156.0° |
| C10 | C11 | N6 | 124.6° | 124.0° |
| C10 | C9 | C8 | 175.4° | 159.9° |
| O2 | S | N11 | 106.9° | 104.3° |
| O2 | S | C19 | 108.3° | 110.8° |
| N11 | S | C19 | 106.9° | 103.9° |
| S | N11 | H27 | 106.9° | 122.1° |
| S | C19 | C20 | 113.7° | 109.2° |
| S | C19 | H17 | 108.4° | 109.6° |
| S | C19 | H18 | 108.4° | 109.6° |
| C11 | N6 | C12 | 103.7° | 109.6° |
| C9 | C8 | N5 | 114.3° | 108.0° |
| C9 | C8 | H3 | 108.3° | 110.7° |
| C9 | C8 | H4 | 108.3° | 110.2° |
| C8 | N5 | C22 | 111.7° | 105.3° |
| C8 | N5 | C7 | 112.9° | 104.3° |
| N5 | C8 | H3 | 108.3° | 109.2° |
| N5 | C8 | H4 | 108.2° | 107.8° |
| C21 | C22 | N5 | 113.9° | 107.8° |
| C22 | C21 | N12 | 115.6° | 118.7° |
| C22 | C21 | O4 | 121.3° | 120.5° |
| C21 | C22 | H21 | 108.3° | 110.2° |
| C21 | C22 | H22 | 108.3° | 110.3° |
| C22 | N5 | C7 | 115.7° | 104.4° |
| N5 | C22 | H21 | 108.3° | 108.0° |
| N5 | C22 | H22 | 108.4° | 109.1° |
| N6 | C12 | C13 | 132.0° | 134.7° |
| C12 | C13 | N8 | 117.7° | 118.2° |
| C12 | C13 | N7 | 123.8° | 120.9° |
| N8 | C13 | N7 | 118.5° | 120.9° |
| C21 | N12 | C20 | 122.9° | 115.4° |
| N12 | C21 | O4 | 123.1° | 120.9° |
| C21 | N12 | H28 | 118.6° | 122.2° |
| N12 | C20 | C19 | 111.3° | 108.4° |
| N12 | C20 | H19 | 109.0° | 110.2° |
| N12 | C20 | H20 | 109.0° | 109.5° |
| C20 | N12 | H28 | 118.5° | 122.4° |
| N5 | C7 | C6 | 113.0° | 109.5° |
| N5 | C7 | H1 | 108.6° | 109.5° |
| N5 | C7 | H2 | 108.6° | 109.5° |
| C13 | N7 | H30 | 109.5° | 120.0° |
| C13 | N7 | H31 | 109.5° | 120.1° |
| C20 | C19 | H17 | 108.4° | 109.5° |
| C20 | C19 | H18 | 108.4° | 109.5° |
| C19 | C20 | H19 | 109.0° | 109.8° |
| C19 | C20 | H20 | 109.0° | 109.4° |
| C7 | C6 | O | 109.5° | 109.8° |
| C7 | C6 | C25 | 112.8° | 109.9° |
| C6 | C7 | H1 | 108.6° | 109.4° |
| C6 | C7 | H2 | 108.6° | 109.5° |
| C7 | C6 | H8 | 109.6° | 109.8° |
| C6 | O | C5 | 107.5° | 106.9° |
| O | C6 | C25 | 104.6° | 107.3° |
| O | C6 | H8 | 110.7° | 110.0° |
| O | C5 | N4 | 109.2° | 110.6° |
| O | C5 | C26 | 107.5° | 103.5° |
| O | C5 | H7 | 109.5° | 110.7° |
| C6 | C25 | O7 | 111.5° | 110.5° |
| C6 | C25 | C26 | 103.7° | 104.2° |
| C25 | C6 | H8 | 109.5° | 109.9° |
| C6 | C25 | H25 | 110.0° | 110.5° |
| C1 | N2 | C2 | 111.3° | 120.6° |
| N2 | C1 | N1 | 128.8° | 122.5° |
| N2 | C1 | H5 | 115.6° | 118.8° |
| N2 | C2 | N4 | 127.8° | 134.9° |
| N2 | C2 | C3 | 126.4° | 119.1° |
| C1 | N1 | C | 118.7° | 121.2° |
| N1 | C1 | H5 | 115.6° | 118.8° |
| N4 | C5 | C26 | 113.7° | 110.6° |
| C5 | N4 | C2 | 126.6° | 126.3° |
| C5 | N4 | C4 | 127.3° | 126.3° |
| N4 | C5 | H7 | 108.9° | 110.6° |
| C5 | C26 | C25 | 104.1° | 102.1° |
| C5 | C26 | O8 | 110.5° | 110.9° |
| C26 | C5 | H7 | 107.9° | 110.6° |
| C5 | C26 | H26 | 109.8° | 110.9° |
| N4 | C2 | C3 | 105.8° | 106.0° |
| C2 | N4 | C4 | 106.1° | 107.4° |
| C2 | C3 | C | 117.0° | 118.2° |
| C2 | C3 | N3 | 110.5° | 107.2° |
| N4 | C4 | N3 | 113.8° | 110.0° |
| N4 | C4 | H9 | 123.1° | 125.0° |
| N1 | C | C3 | 117.7° | 118.5° |
| N1 | C | N | 118.4° | 120.8° |
| O7 | C25 | C26 | 109.9° | 110.5° |
| O7 | C25 | H25 | 111.6° | 110.5° |
| C25 | O7 | H33 | 109.5° | 114.0° |
| C25 | C26 | O8 | 111.1° | 110.9° |
| C26 | C25 | H25 | 109.9° | 110.6° |
| C25 | C26 | H26 | 109.7° | 110.9° |
| C | C3 | N3 | 132.5° | 134.7° |
| C3 | C | N | 123.9° | 120.8° |
| C3 | N3 | C4 | 103.8° | 109.4° |
| C | N | H10 | 109.5° | 120.0° |
| C | N | H11 | 109.4° | 120.0° |
| N3 | C4 | H9 | 123.1° | 125.0° |
| O8 | C26 | H26 | 111.4° | 110.8° |
| C26 | O8 | H34 | 109.5° | 114.0° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H3 | C8 | H4 | 109.5° | 111.0° |
| H10 | N | H11 | 109.5° | 120.0° |
| H15 | C18 | H16 | 109.5° | 109.4° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.4° | 109.4° |
| H21 | C22 | H22 | 109.5° | 111.3° |
| H30 | N7 | H31 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C24 | C23 | O5 | 39.8° | 11.0° |
| O6 | C24 | C23 | C16 | 119.0° | 118.6° |
| O6 | C24 | C23 | H24 | 124.8° | 121.9° |
| O6 | C24 | C23 | C17 | 157.1° | 107.7° |
| O6 | C24 | C16 | H24 | 125.4° | 122.3° |
| O6 | C24 | C16 | N10 | 83.1° | 115.1° |
| O6 | C24 | C16 | O1 | 156.1° | 122.5° |
| O6 | C24 | C16 | H13 | 39.3° | 5.0° |
| O6 | C24 | C23 | H23 | 85.4° | 133.3° |
| O5 | C23 | C24 | C17 | 117.3° | 118.8° |
| O5 | C23 | C24 | H23 | 125.2° | 122.2° |
| O5 | C23 | C17 | H23 | 123.8° | 122.7° |
| O5 | C23 | C24 | C16 | 79.2° | 129.6° |
| O5 | C23 | C17 | C18 | 145.2° | 100.5° |
| O5 | C23 | C17 | O1 | 92.4° | 140.7° |
| O5 | C23 | C17 | H14 | 24.1° | 21.9° |
| O5 | C23 | C24 | H24 | 164.6° | 110.8° |
| C24 | C23 | C17 | H23 | 117.5° | 118.9° |
| C23 | C24 | C16 | H24 | 116.3° | 119.2° |
| C23 | C24 | C16 | N10 | 158.6° | 126.4° |
| C23 | C24 | C16 | O1 | 37.8° | 4.0° |
| C24 | C23 | C17 | C18 | 96.1° | 141.0° |
| C24 | C23 | C17 | O1 | 26.3° | 22.2° |
| C24 | C23 | O5 | H6 | 180.0° | 61.5° |
| C23 | C24 | C16 | H13 | 79.0° | 113.4° |
| C24 | C23 | C17 | H14 | 142.8° | 96.5° |
| C23 | C24 | O6 | H32 | 180.0° | 61.4° |
| C17 | C23 | C24 | C16 | 38.1° | 10.9° |
| C23 | C17 | O1 | C16 | 2.7° | 25.8° |
| C23 | C17 | C18 | O1 | 120.1° | 117.0° |
| C23 | C17 | C18 | H14 | 121.0° | 121.9° |
| C23 | C17 | O1 | H14 | 115.8° | 118.9° |
| C23 | C17 | C18 | N11 | 150.4° | 44.7° |
| C17 | C23 | O5 | H6 | 67.2° | 176.8° |
| C23 | C17 | C18 | H15 | 30.1° | 75.5° |
| C23 | C17 | C18 | H16 | 89.3° | 164.4° |
| C17 | C23 | C24 | H24 | 78.2° | 130.4° |
| C24 | C16 | N10 | O1 | 118.9° | 120.8° |
| C24 | C16 | N10 | H13 | 122.0° | 119.5° |
| C24 | C16 | O1 | H13 | 115.8° | 117.3° |
| C24 | C16 | O1 | C17 | 22.4° | 18.8° |
| C24 | C16 | N10 | C15 | 131.1° | 136.8° |
| C24 | C16 | N10 | C11 | 49.4° | 43.4° |
| C16 | C24 | C23 | H23 | 155.6° | 108.1° |
| C16 | C24 | O6 | H32 | 68.3° | 176.4° |
| N10 | C16 | O1 | H13 | 118.8° | 120.3° |
| N10 | C16 | O1 | C17 | 147.8° | 141.2° |
| C16 | N10 | C15 | N9 | 0.1° | 0.2° |
| C16 | N10 | C15 | C11 | 179.6° | 179.8° |
| C16 | N10 | C15 | C12 | 179.7° | 180.0° |
| C16 | N10 | C11 | C10 | 1.6° | 0.1° |
| C16 | N10 | C11 | N6 | 179.9° | 179.9° |
| N10 | C16 | C24 | H24 | 42.3° | 7.1° |
| C16 | O1 | C17 | C18 | 123.2° | 145.1° |
| O1 | C16 | N10 | C15 | 110.0° | 102.4° |
| O1 | C16 | N10 | C11 | 69.5° | 77.4° |
| C16 | O1 | C17 | H14 | 118.5° | 93.1° |
| O1 | C16 | C24 | H24 | 78.5° | 115.2° |
| C18 | C17 | O1 | H14 | 118.3° | 121.8° |
| C17 | C18 | N11 | H15 | 120.3° | 120.1° |
| C17 | C18 | N11 | H16 | 120.3° | 119.7° |
| C17 | C18 | N11 | S | 102.5° | 168.1° |
| C17 | C18 | H15 | H16 | 119.2° | 120.3° |
| C18 | C17 | C23 | H23 | 21.4° | 22.2° |
| C17 | C18 | N11 | H27 | 136.1° | 12.1° |
| O1 | C17 | C18 | N11 | 89.5° | 161.7° |
| C17 | O1 | C16 | H13 | 93.4° | 98.5° |
| O1 | C17 | C18 | H15 | 150.2° | 41.5° |
| O1 | C17 | C18 | H16 | 30.8° | 78.7° |
| O1 | C17 | C23 | H23 | 143.8° | 96.6° |
| O3 | S | N11 | C18 | 5.7° | 104.4° |
| O3 | S | O2 | N11 | 121.1° | 116.8° |
| O3 | S | O2 | C19 | 124.1° | 132.0° |
| O3 | S | N11 | C19 | 115.5° | 115.9° |
| O3 | S | C19 | C20 | 89.7° | 107.3° |
| O3 | S | C19 | H17 | 149.7° | 132.8° |
| O3 | S | C19 | H18 | 31.0° | 12.6° |
| O3 | S | N11 | H27 | 115.7° | 75.4° |
| C18 | N11 | S | O2 | 123.1° | 23.5° |
| C18 | N11 | S | H27 | 121.4° | 179.8° |
| C18 | N11 | S | C19 | 121.1° | 139.7° |
| N11 | C18 | C17 | H14 | 29.4° | 77.2° |
| N11 | C18 | H15 | H16 | 119.2° | 120.3° |
| N9 | C15 | N10 | C12 | 179.8° | 179.8° |
| N9 | C15 | N10 | C11 | 179.7° | 179.6° |
| C15 | N9 | C14 | N8 | 0.3° | 0.1° |
| N9 | C15 | C12 | N6 | 179.9° | 179.9° |
| N9 | C15 | C12 | C13 | 0.1° | 0.1° |
| C15 | N9 | C14 | H12 | 179.7° | 179.8° |
| C14 | N9 | C15 | N10 | 180.0° | 179.8° |
| C14 | N9 | C15 | C12 | 0.3° | 0.1° |
| N9 | C14 | N8 | H12 | 180.0° | 180.0° |
| N9 | C14 | N8 | C13 | 0.0° | 0.1° |
| C15 | N10 | C11 | C10 | 177.9° | 179.7° |
| C15 | N10 | C11 | N6 | 0.3° | 0.3° |
| N10 | C15 | C12 | N6 | 0.1° | 0.0° |
| N10 | C15 | C12 | C13 | 179.7° | 180.0° |
| C15 | N10 | C16 | H13 | 9.1° | 17.4° |
| C11 | N10 | C15 | C12 | 0.1° | 0.2° |
| N10 | C11 | C10 | N6 | 178.1° | 179.9° |
| N10 | C11 | C10 | C9 | 178.0° | 155.2° |
| N10 | C11 | N6 | C12 | 0.4° | 0.3° |
| C11 | N10 | C16 | H13 | 171.4° | 162.8° |
| C15 | C12 | N6 | C11 | 0.3° | 0.2° |
| C15 | C12 | N6 | C13 | 179.8° | 180.0° |
| C15 | C12 | C13 | N8 | 0.4° | 0.2° |
| C15 | C12 | C13 | N7 | 179.4° | 179.9° |
| C14 | N8 | C13 | C12 | 0.3° | 0.1° |
| C14 | N8 | C13 | N7 | 179.5° | 180.0° |
| C11 | C10 | C9 | C8 | 173.1° | 39.8° |
| C10 | C11 | N6 | C12 | 177.8° | 179.7° |
| C9 | C10 | C11 | N6 | 0.1° | 24.8° |
| C10 | C9 | C8 | N5 | 70.2° | 87.2° |
| C10 | C9 | C8 | H3 | 50.5° | 153.4° |
| C10 | C9 | C8 | H4 | 169.1° | 30.2° |
| O2 | S | N11 | C19 | 115.8° | 116.2° |
| O2 | S | C19 | C20 | 139.8° | 29.9° |
| O2 | S | C19 | H17 | 19.2° | 90.0° |
| O2 | S | C19 | H18 | 99.6° | 149.8° |
| O2 | S | N11 | H27 | 115.6° | 156.7° |
| N11 | S | C19 | C20 | 24.9° | 141.4° |
| S | N11 | C18 | H15 | 17.8° | 48.0° |
| S | N11 | C18 | H16 | 137.3° | 72.2° |
| N11 | S | C19 | H17 | 95.7° | 21.5° |
| N11 | S | C19 | H18 | 145.6° | 98.7° |
| S | C19 | C20 | N12 | 49.2° | 114.5° |
| S | C19 | C20 | H17 | 120.6° | 119.9° |
| S | C19 | C20 | H18 | 120.6° | 120.0° |
| S | C19 | H17 | H18 | 118.1° | 120.2° |
| S | C19 | C20 | H19 | 169.5° | 6.0° |
| S | C19 | C20 | H20 | 71.1° | 126.1° |
| C19 | S | N11 | H27 | 0.2° | 40.5° |
| C11 | N6 | C12 | C13 | 179.5° | 179.8° |
| C9 | C8 | N5 | H3 | 120.7° | 120.4° |
| C9 | C8 | N5 | H4 | 120.7° | 119.0° |
| C9 | C8 | N5 | C22 | 149.4° | 114.8° |
| C9 | C8 | N5 | C7 | 78.2° | 135.7° |
| C9 | C8 | H3 | H4 | 117.8° | 122.7° |
| C8 | N5 | C22 | C21 | 151.2° | 126.7° |
| C8 | N5 | C22 | C7 | 131.0° | 109.5° |
| C8 | N5 | C7 | C6 | 78.9° | 75.9° |
| C8 | N5 | C7 | H1 | 160.6° | 44.0° |
| C8 | N5 | C7 | H2 | 41.6° | 164.0° |
| N5 | C8 | H3 | H4 | 117.8° | 118.6° |
| C8 | N5 | C22 | H21 | 88.2° | 114.2° |
| C8 | N5 | C22 | H22 | 30.5° | 6.9° |
| C21 | C22 | N5 | H21 | 120.6° | 119.1° |
| C21 | C22 | N5 | H22 | 120.6° | 119.8° |
| C22 | C21 | N12 | O4 | 179.9° | 179.5° |
| C22 | C21 | N12 | C20 | 142.0° | 175.5° |
| C21 | C22 | N5 | C7 | 77.8° | 123.8° |
| C21 | C22 | H21 | H22 | 118.0° | 122.7° |
| C22 | C21 | N12 | H28 | 38.0° | 4.6° |
| N5 | C22 | C21 | N12 | 39.8° | 148.9° |
| N5 | C22 | C21 | O4 | 140.3° | 30.6° |
| C22 | N5 | C7 | C6 | 150.7° | 173.8° |
| C22 | N5 | C7 | H1 | 30.2° | 66.2° |
| C22 | N5 | C7 | H2 | 88.8° | 53.8° |
| C22 | N5 | C8 | H3 | 28.6° | 5.6° |
| C22 | N5 | C8 | H4 | 89.9° | 126.3° |
| N5 | C22 | H21 | H22 | 118.0° | 119.8° |
| N6 | C12 | C13 | N8 | 179.8° | 179.8° |
| N6 | C12 | C13 | N7 | 0.4° | 0.1° |
| C12 | C13 | N8 | N7 | 179.8° | 179.9° |
| C12 | C13 | N7 | H30 | 179.8° | 0.0° |
| C12 | C13 | N7 | H31 | 59.8° | 179.9° |
| C13 | N8 | C14 | H12 | 180.0° | 179.9° |
| N8 | C13 | N7 | H30 | 0.0° | 179.9° |
| N8 | C13 | N7 | H31 | 120.0° | 0.0° |
| C21 | N12 | C20 | H28 | 180.0° | 179.9° |
| C21 | N12 | C20 | C19 | 134.9° | 105.3° |
| C21 | N12 | C20 | H19 | 14.6° | 15.0° |
| C21 | N12 | C20 | H20 | 104.9° | 135.4° |
| N12 | C21 | C22 | H21 | 160.4° | 93.5° |
| N12 | C21 | C22 | H22 | 80.9° | 29.8° |
| C20 | N12 | C21 | O4 | 38.0° | 3.9° |
| N12 | C20 | C19 | H19 | 120.3° | 120.5° |
| N12 | C20 | C19 | H20 | 120.3° | 119.3° |
| N12 | C20 | C19 | H17 | 169.8° | 5.4° |
| N12 | C20 | C19 | H18 | 71.4° | 125.5° |
| N12 | C20 | H19 | H20 | 119.2° | 120.5° |
| O4 | C21 | C22 | H21 | 19.7° | 87.0° |
| O4 | C21 | C22 | H22 | 99.0° | 149.7° |
| O4 | C21 | N12 | H28 | 142.0° | 175.9° |
| N5 | C7 | C6 | H1 | 120.5° | 120.0° |
| N5 | C7 | C6 | H2 | 120.5° | 120.1° |
| N5 | C7 | C6 | O | 61.2° | 65.9° |
| N5 | C7 | C6 | C25 | 177.2° | 176.2° |
| N5 | C7 | H1 | H2 | 118.4° | 120.1° |
| C7 | N5 | C8 | H3 | 161.1° | 103.9° |
| C7 | N5 | C8 | H4 | 42.5° | 16.7° |
| N5 | C7 | C6 | H8 | 60.4° | 55.2° |
| C7 | N5 | C22 | H21 | 42.8° | 4.7° |
| C7 | N5 | C22 | H22 | 161.6° | 116.4° |
| C13 | N7 | H30 | H31 | 120.0° | 180.0° |
| C20 | C19 | H17 | H18 | 118.0° | 120.1° |
| C19 | C20 | H19 | H20 | 119.2° | 120.1° |
| C19 | C20 | N12 | H28 | 45.2° | 74.8° |
| C7 | C6 | O | C25 | 121.2° | 119.5° |
| C7 | C6 | O | H8 | 121.0° | 121.0° |
| C7 | C6 | O | C5 | 157.9° | 145.9° |
| C7 | C6 | C25 | H8 | 122.4° | 121.0° |
| C7 | C6 | C25 | O7 | 92.1° | 119.9° |
| C7 | C6 | C25 | C26 | 149.7° | 121.4° |
| C6 | C7 | H1 | H2 | 118.4° | 120.0° |
| C7 | C6 | C25 | H25 | 32.2° | 2.7° |
| O | C6 | C25 | H8 | 118.7° | 119.6° |
| C6 | O | C5 | N4 | 151.3° | 158.5° |
| C6 | O | C5 | C26 | 27.4° | 40.0° |
| O | C6 | C25 | O7 | 149.0° | 120.7° |
| O | C6 | C25 | C26 | 30.8° | 2.0° |
| O | C6 | C7 | H1 | 59.3° | 174.1° |
| O | C6 | C7 | H2 | 178.3° | 54.2° |
| C6 | O | C5 | H7 | 89.6° | 78.5° |
| O | C6 | C25 | H25 | 86.7° | 116.8° |
| C5 | O | C6 | C25 | 36.7° | 26.5° |
| O | C5 | N4 | C26 | 120.1° | 114.1° |
| O | C5 | N4 | H7 | 119.5° | 123.0° |
| O | C5 | C26 | H7 | 118.1° | 118.6° |
| O | C5 | N4 | C2 | 121.2° | 160.9° |
| O | C5 | N4 | C4 | 61.7° | 19.1° |
| O | C5 | C26 | C25 | 7.0° | 37.0° |
| O | C5 | C26 | O8 | 126.3° | 155.2° |
| C5 | O | C6 | H8 | 81.2° | 93.1° |
| O | C5 | C26 | H26 | 110.4° | 81.2° |
| C6 | C25 | C26 | C5 | 14.3° | 20.9° |
| C6 | C25 | O7 | C26 | 114.4° | 114.8° |
| C6 | C25 | O7 | H25 | 123.4° | 122.5° |
| C6 | C25 | C26 | H25 | 117.5° | 118.7° |
| C6 | C25 | C26 | O8 | 104.5° | 139.1° |
| C25 | C6 | C7 | H1 | 56.7° | 56.2° |
| C25 | C6 | C7 | H2 | 62.3° | 63.7° |
| C6 | C25 | C26 | H26 | 131.8° | 97.3° |
| C6 | C25 | O7 | H33 | 180.0° | 180.0° |
| N2 | C1 | N1 | H5 | 180.0° | 179.9° |
| C1 | N2 | C2 | N4 | 178.6° | 180.0° |
| C1 | N2 | C2 | C3 | 0.7° | 0.0° |
| N2 | C1 | N1 | C | 0.0° | 0.1° |
| C2 | N2 | C1 | N1 | 0.6° | 0.0° |
| N2 | C2 | N4 | C5 | 3.1° | 0.0° |
| N2 | C2 | N4 | C3 | 179.4° | 180.0° |
| N2 | C2 | N4 | C4 | 179.3° | 180.0° |
| N2 | C2 | C3 | C | 0.2° | 0.1° |
| N2 | C2 | C3 | N3 | 179.4° | 180.0° |
| C2 | N2 | C1 | H5 | 179.4° | 180.0° |
| C1 | N1 | C | C3 | 0.6° | 0.0° |
| C1 | N1 | C | N | 179.0° | 180.0° |
| N4 | C5 | C26 | H7 | 120.9° | 122.9° |
| C5 | N4 | C2 | C4 | 177.6° | 180.0° |
| C5 | N4 | C2 | C3 | 177.5° | 180.0° |
| N4 | C5 | C26 | C25 | 128.1° | 155.5° |
| C5 | N4 | C4 | N3 | 177.3° | 179.9° |
| N4 | C5 | C26 | O8 | 112.6° | 86.3° |
| C5 | N4 | C4 | H9 | 2.7° | 0.0° |
| N4 | C5 | C26 | H26 | 10.7° | 37.3° |
| C26 | C5 | N4 | C2 | 118.7° | 85.1° |
| C26 | C5 | N4 | C4 | 58.4° | 95.0° |
| C5 | C26 | C25 | O7 | 133.6° | 97.8° |
| C5 | C26 | C25 | O8 | 118.9° | 118.2° |
| C5 | C26 | C25 | H26 | 117.4° | 118.2° |
| C5 | C26 | O8 | H26 | 122.3° | 123.6° |
| C5 | C26 | C25 | H25 | 103.2° | 139.6° |
| C5 | C26 | O8 | H34 | 180.0° | 180.0° |
| N4 | C2 | C3 | C | 179.3° | 179.9° |
| N4 | C2 | C3 | N3 | 0.0° | 0.0° |
| C2 | N4 | C4 | N3 | 0.3° | 0.1° |
| C2 | N4 | C5 | H7 | 1.7° | 37.9° |
| C2 | N4 | C4 | H9 | 179.8° | 180.0° |
| C3 | C2 | N4 | C4 | 0.2° | 0.1° |
| C2 | C3 | C | N1 | 0.5° | 0.1° |
| C2 | C3 | C | N3 | 179.1° | 179.9° |
| C2 | C3 | C | N | 179.0° | 179.9° |
| C2 | C3 | N3 | C4 | 0.2° | 0.0° |
| N4 | C4 | N3 | C3 | 0.3° | 0.1° |
| N4 | C4 | N3 | H9 | 180.0° | 179.9° |
| C4 | N4 | C5 | H7 | 178.8° | 142.1° |
| N1 | C | C3 | N | 179.6° | 180.0° |
| N1 | C | C3 | N3 | 178.6° | 180.0° |
| C | N1 | C1 | H5 | 180.0° | 180.0° |
| N1 | C | N | H10 | 0.0° | 0.0° |
| N1 | C | N | H11 | 120.0° | 180.0° |
| O7 | C25 | C26 | H25 | 123.2° | 122.6° |
| O7 | C25 | C26 | O8 | 14.7° | 20.4° |
| O7 | C25 | C6 | H8 | 30.3° | 1.1° |
| O7 | C25 | C26 | H26 | 109.0° | 144.1° |
| C25 | C26 | O8 | H26 | 122.7° | 123.7° |
| C25 | C26 | C5 | H7 | 111.0° | 81.6° |
| C26 | C25 | C6 | H8 | 88.0° | 117.6° |
| C26 | C25 | O7 | H33 | 65.6° | 65.2° |
| C25 | C26 | O8 | H34 | 65.0° | 67.3° |
| C | C3 | N3 | C4 | 179.0° | 179.9° |
| C3 | C | N | H10 | 179.6° | 180.0° |
| C3 | C | N | H11 | 60.4° | 0.0° |
| N3 | C3 | C | N | 1.9° | 0.0° |
| C3 | N3 | C4 | H9 | 179.8° | 180.0° |
| C | N | H10 | H11 | 120.0° | 180.0° |
| O8 | C26 | C5 | H7 | 8.3° | 36.6° |
| O8 | C26 | C25 | H25 | 137.9° | 102.2° |
| H1 | C7 | C6 | H8 | 179.0° | 64.8° |
| H2 | C7 | C6 | H8 | 60.1° | 175.3° |
| H6 | O5 | C23 | H23 | 55.7° | 60.6° |
| H7 | C5 | C26 | H26 | 131.6° | 160.2° |
| H8 | C6 | C25 | H25 | 154.6° | 123.6° |
| H13 | C16 | C24 | H24 | 164.7° | 127.3° |
| H14 | C17 | C18 | H15 | 90.9° | 162.6° |
| H14 | C17 | C18 | H16 | 149.6° | 42.5° |
| H14 | C17 | C23 | H23 | 99.7° | 144.6° |
| H15 | C18 | N11 | H27 | 103.6° | 132.2° |
| H16 | C18 | N11 | H27 | 15.9° | 107.7° |
| H17 | C19 | C20 | H19 | 69.9° | 125.9° |
| H17 | C19 | C20 | H20 | 49.6° | 113.9° |
| H18 | C19 | C20 | H19 | 48.8° | 114.0° |
| H18 | C19 | C20 | H20 | 168.3° | 6.2° |
| H19 | C20 | N12 | H28 | 165.4° | 164.9° |
| H20 | C20 | N12 | H28 | 75.1° | 44.5° |
| H23 | C23 | C24 | H24 | 39.4° | 11.4° |
| H24 | C24 | O6 | H32 | 56.2° | 60.7° |
| H25 | C25 | C26 | H26 | 14.2° | 21.4° |
| H25 | C25 | O7 | H33 | 56.6° | 57.5° |
| H26 | C26 | O8 | H34 | 57.7° | 56.4° |
