W0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL29 | C4 | sing | 1.74Å | 1.80Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | O2 | sing | 1.36Å | 1.37Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | C11 | sing | 1.43Å | 1.43Å | |
| C16 | C13 | sing | 1.54Å | 1.52Å | |
| C16 | C34 | sing | 1.54Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C13 | N13 | sing | 1.48Å | 1.47Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C25 | C18 | sing | 1.53Å | 1.53Å | |
| C11 | O1 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| CL30 | C26 | sing | 1.74Å | 1.79Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C18 | sing | 1.53Å | 1.54Å | |
| C34 | C14 | sing | 1.54Å | 1.54Å | |
| C7 | O1 | sing | 1.36Å | 1.37Å | |
| C7 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.35Å | |
| N13 | C14 | sing | 1.48Å | 1.47Å | |
| C18 | C23 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.34Å | |
| C12 | O33 | doub | 1.21Å | 1.22Å | |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C20 | sing | 1.54Å | 1.53Å | |
| C22 | N23 | doub | 1.29Å | 1.45Å | |
| C17 | N16 | sing | 1.46Å | 1.46Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| O9 | C8 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C24 | sing | 1.52Å | 1.51Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.21Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.08Å | 1.08Å | |
| C6 | H26 | sing | 1.08Å | 1.08Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.08Å | 1.08Å | |
| N16 | H30 | sing | 0.97Å | 1.00Å | |
| O9 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL29 | C4 | C3 | 119.2° | 120.0° |
| CL29 | C4 | C5 | 120.5° | 119.9° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| C3 | C2 | H10 | 119.9° | 120.0° |
| C2 | C3 | H23 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.1° |
| C4 | C3 | H23 | 120.2° | 120.0° |
| C2 | C1 | O2 | 118.7° | 120.0° |
| C2 | C1 | C6 | 120.4° | 119.9° |
| C1 | C2 | H10 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H25 | 120.0° | 120.0° |
| O2 | C1 | C6 | 120.9° | 120.0° |
| C1 | O2 | C11 | 120.9° | 117.0° |
| C1 | C6 | C5 | 119.4° | 119.9° |
| C1 | C6 | H26 | 120.3° | 120.0° |
| C6 | C5 | H25 | 120.0° | 119.9° |
| C5 | C6 | H26 | 120.3° | 120.1° |
| O2 | C11 | O1 | 113.1° | 109.4° |
| O2 | C11 | C12 | 108.3° | 109.5° |
| O2 | C11 | H2 | 109.4° | 109.5° |
| C13 | C16 | C34 | 106.8° | 104.9° |
| C13 | C16 | C18 | 115.4° | 118.1° |
| C16 | C13 | N13 | 107.1° | 104.6° |
| C16 | C13 | H3 | 110.1° | 110.3° |
| C16 | C13 | H4 | 110.1° | 110.5° |
| C13 | C16 | H6 | 119.9° | 117.6° |
| C34 | C16 | C18 | 60.3° | 59.7° |
| C16 | C34 | C18 | 60.2° | 59.7° |
| C16 | C34 | C14 | 108.0° | 105.0° |
| C34 | C16 | H6 | 119.9° | 121.8° |
| C16 | C34 | H24 | 119.5° | 121.9° |
| C16 | C18 | C25 | 110.7° | 117.4° |
| C16 | C18 | C34 | 59.5° | 60.5° |
| C16 | C18 | C23 | 114.6° | 117.5° |
| C18 | C16 | H6 | 119.6° | 120.3° |
| C13 | N13 | C12 | 128.7° | 127.8° |
| C13 | N13 | C14 | 112.1° | 104.4° |
| N13 | C13 | H3 | 110.1° | 110.4° |
| N13 | C13 | H4 | 110.1° | 110.5° |
| C9 | C10 | C26 | 119.4° | 120.1° |
| C10 | C9 | C7 | 120.5° | 120.0° |
| C9 | C10 | H1 | 120.3° | 120.0° |
| C10 | C9 | H29 | 119.8° | 120.0° |
| C10 | C26 | CL30 | 118.6° | 120.0° |
| C10 | C26 | C27 | 120.3° | 120.1° |
| C26 | C10 | H1 | 120.3° | 119.9° |
| C9 | C7 | O1 | 120.6° | 120.1° |
| C9 | C7 | C28 | 120.3° | 119.9° |
| C7 | C9 | H29 | 119.7° | 120.0° |
| O38 | C15 | C14 | 119.2° | 120.0° |
| O38 | C15 | N16 | 122.9° | 120.0° |
| C25 | C18 | C34 | 119.2° | 117.4° |
| C25 | C18 | C23 | 114.7° | 115.5° |
| C18 | C25 | H18 | 109.5° | 109.5° |
| C18 | C25 | H19 | 109.5° | 109.5° |
| C18 | C25 | H20 | 109.4° | 109.5° |
| O1 | C11 | C12 | 108.1° | 109.5° |
| C11 | O1 | C7 | 123.5° | 117.0° |
| O1 | C11 | H2 | 109.4° | 109.5° |
| C11 | C12 | N13 | 118.8° | 120.0° |
| C11 | C12 | O33 | 117.7° | 120.0° |
| C12 | C11 | H2 | 108.4° | 109.5° |
| CL30 | C26 | C27 | 121.1° | 120.0° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C26 | C27 | H21 | 120.0° | 120.0° |
| C18 | C34 | C14 | 116.2° | 118.1° |
| C34 | C18 | C23 | 123.6° | 117.5° |
| C18 | C34 | H24 | 119.3° | 119.6° |
| C34 | C14 | N13 | 105.8° | 104.6° |
| C34 | C14 | C15 | 110.0° | 110.4° |
| C34 | C14 | H5 | 110.1° | 110.4° |
| C14 | C34 | H24 | 119.2° | 118.1° |
| O1 | C7 | C28 | 119.1° | 120.0° |
| C7 | C28 | C27 | 119.4° | 120.0° |
| C7 | C28 | H22 | 120.3° | 120.0° |
| C12 | N13 | C14 | 119.2° | 127.8° |
| N13 | C12 | O33 | 123.5° | 120.0° |
| N13 | C14 | C15 | 109.0° | 110.5° |
| N13 | C14 | H5 | 111.2° | 110.5° |
| C18 | C23 | H15 | 109.5° | 109.5° |
| C18 | C23 | H16 | 109.4° | 109.5° |
| C18 | C23 | H17 | 109.5° | 109.5° |
| C14 | C15 | N16 | 117.9° | 120.0° |
| C15 | C14 | H5 | 110.6° | 110.3° |
| C15 | N16 | C17 | 122.8° | 120.0° |
| C15 | N16 | H30 | 118.6° | 120.0° |
| C28 | C27 | H21 | 120.0° | 120.0° |
| C27 | C28 | H22 | 120.3° | 120.0° |
| C22 | C21 | C20 | 106.1° | 103.2° |
| C21 | C22 | N23 | 105.5° | 109.9° |
| C22 | C21 | H12 | 110.3° | 110.7° |
| C22 | C21 | H13 | 110.3° | 110.6° |
| C21 | C22 | H14 | 127.3° | 125.1° |
| C21 | C20 | C19 | 111.6° | 110.8° |
| C21 | C20 | C24 | 103.5° | 102.7° |
| C21 | C20 | H11 | 110.0° | 111.0° |
| C20 | C21 | H12 | 110.3° | 110.7° |
| C20 | C21 | H13 | 110.3° | 110.6° |
| C22 | N23 | C24 | 112.4° | 115.6° |
| N23 | C22 | H14 | 127.2° | 125.1° |
| N16 | C17 | C8 | 108.8° | 109.4° |
| N16 | C17 | C19 | 108.9° | 109.5° |
| N16 | C17 | H7 | 110.2° | 109.5° |
| C17 | N16 | H30 | 118.6° | 120.0° |
| C8 | C17 | C19 | 110.3° | 109.5° |
| C17 | C8 | O9 | 111.6° | 109.4° |
| C8 | C17 | H7 | 109.3° | 109.4° |
| C17 | C8 | H27 | 108.9° | 109.5° |
| C17 | C8 | H28 | 109.0° | 109.5° |
| C17 | C19 | C20 | 110.4° | 109.5° |
| C19 | C17 | H7 | 109.3° | 109.5° |
| C17 | C19 | H8 | 109.2° | 109.4° |
| C17 | C19 | H9 | 109.2° | 109.5° |
| O9 | C8 | H27 | 108.9° | 109.5° |
| O9 | C8 | H28 | 108.9° | 109.4° |
| C8 | O9 | H31 | 109.5° | 114.0° |
| C19 | C20 | C24 | 111.1° | 110.7° |
| C20 | C19 | H8 | 109.3° | 109.5° |
| C20 | C19 | H9 | 109.3° | 109.5° |
| C19 | C20 | H11 | 110.1° | 110.7° |
| C20 | C24 | N23 | 111.9° | 108.7° |
| C20 | C24 | O26 | 123.5° | 125.7° |
| C24 | C20 | H11 | 110.3° | 110.7° |
| N23 | C24 | O26 | 124.7° | 125.6° |
| H3 | C13 | H4 | 109.4° | 110.4° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 110.7° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H27 | C8 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL29 | C4 | C3 | C2 | 179.8° | 180.0° |
| CL29 | C4 | C3 | C5 | 179.9° | 180.0° |
| CL29 | C4 | C5 | C6 | 179.9° | 179.7° |
| CL29 | C4 | C3 | H23 | 0.2° | 0.1° |
| CL29 | C4 | C5 | H25 | 0.1° | 0.0° |
| C2 | C3 | C4 | H23 | 180.0° | 179.9° |
| C3 | C2 | C1 | H10 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C1 | O2 | 179.5° | 180.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.3° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C4 | C3 | C2 | H10 | 179.7° | 179.9° |
| C3 | C4 | C5 | H25 | 179.8° | 180.0° |
| C2 | C1 | O2 | C6 | 179.7° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.6° |
| C2 | C1 | O2 | C11 | 121.4° | 5.0° |
| C1 | C2 | C3 | H23 | 179.7° | 180.0° |
| C2 | C1 | C6 | H26 | 179.9° | 179.7° |
| C4 | C5 | C6 | C1 | 0.3° | 0.6° |
| C4 | C5 | C6 | H25 | 180.0° | 179.7° |
| C5 | C4 | C3 | H23 | 179.9° | 180.0° |
| C4 | C5 | C6 | H26 | 179.7° | 179.7° |
| O2 | C1 | C6 | C5 | 179.8° | 179.7° |
| C1 | O2 | C11 | O1 | 105.9° | 66.9° |
| C1 | O2 | C11 | C12 | 134.3° | 173.1° |
| C1 | O2 | C11 | H2 | 16.3° | 53.1° |
| O2 | C1 | C2 | H10 | 0.5° | 0.1° |
| O2 | C1 | C6 | H26 | 0.2° | 0.0° |
| C1 | C6 | C5 | H26 | 180.0° | 179.7° |
| C6 | C1 | O2 | C11 | 58.3° | 174.7° |
| C6 | C1 | C2 | H10 | 179.8° | 179.8° |
| C1 | C6 | C5 | H25 | 179.8° | 179.7° |
| O2 | C11 | O1 | C12 | 119.9° | 120.0° |
| O2 | C11 | O1 | H2 | 122.2° | 120.0° |
| O2 | C11 | C12 | H2 | 118.6° | 120.0° |
| O2 | C11 | O1 | C7 | 84.2° | 62.8° |
| O2 | C11 | C12 | N13 | 66.5° | 30.1° |
| O2 | C11 | C12 | O33 | 113.3° | 150.0° |
| C13 | C16 | C34 | C18 | 110.1° | 114.1° |
| C13 | C16 | C34 | H6 | 140.7° | 136.9° |
| C13 | C16 | C18 | H6 | 154.8° | 157.0° |
| C16 | C13 | N13 | H3 | 119.6° | 118.7° |
| C16 | C13 | N13 | H4 | 119.6° | 118.9° |
| C13 | C16 | C18 | C25 | 151.9° | 160.9° |
| C13 | C16 | C34 | C14 | 0.3° | 0.0° |
| C16 | C13 | N13 | C12 | 175.4° | 140.5° |
| C16 | C13 | N13 | C14 | 4.3° | 39.6° |
| C13 | C16 | C18 | C23 | 20.3° | 16.1° |
| C16 | C13 | H3 | H4 | 121.1° | 122.4° |
| C13 | C16 | C34 | H24 | 141.1° | 137.8° |
| C34 | C16 | C18 | H6 | 109.6° | 111.5° |
| C34 | C16 | C13 | N13 | 2.3° | 23.9° |
| C16 | C34 | C18 | C25 | 98.0° | 107.6° |
| C16 | C34 | C18 | C14 | 96.7° | 91.6° |
| C16 | C34 | C18 | H24 | 109.3° | 111.8° |
| C16 | C34 | C14 | H24 | 140.9° | 139.7° |
| C16 | C34 | C14 | N13 | 2.8° | 23.9° |
| C34 | C16 | C18 | C23 | 115.9° | 107.7° |
| C16 | C34 | C14 | C15 | 114.7° | 95.0° |
| C34 | C16 | C13 | H3 | 117.4° | 94.9° |
| C34 | C16 | C13 | H4 | 121.9° | 142.7° |
| C16 | C34 | C14 | H5 | 123.1° | 142.7° |
| C18 | C16 | C13 | N13 | 62.3° | 39.4° |
| C16 | C18 | C25 | C23 | 131.5° | 145.4° |
| C18 | C16 | C13 | H3 | 178.1° | 158.2° |
| C18 | C16 | C13 | H4 | 57.3° | 79.4° |
| C16 | C18 | C23 | H15 | 180.0° | 111.3° |
| C16 | C18 | C23 | H16 | 60.0° | 128.6° |
| C16 | C18 | C23 | H17 | 60.0° | 8.6° |
| C16 | C18 | C25 | H18 | 180.0° | 8.6° |
| C16 | C18 | C25 | H19 | 60.0° | 128.6° |
| C16 | C18 | C25 | H20 | 60.0° | 111.4° |
| C13 | N13 | C12 | C11 | 3.8° | 0.1° |
| C13 | N13 | C14 | C34 | 4.5° | 39.6° |
| C13 | N13 | C12 | C14 | 179.6° | 179.9° |
| C13 | N13 | C14 | C15 | 113.8° | 79.2° |
| C13 | N13 | C12 | O33 | 176.0° | 180.0° |
| N13 | C13 | H3 | H4 | 121.1° | 122.4° |
| C13 | N13 | C14 | H5 | 124.0° | 158.4° |
| N13 | C13 | C16 | H6 | 143.0° | 163.0° |
| C9 | C10 | C26 | H1 | 180.0° | 179.7° |
| C10 | C9 | C7 | H29 | 180.0° | 180.0° |
| C9 | C10 | C26 | CL30 | 180.0° | 180.0° |
| C9 | C10 | C26 | C27 | 0.6° | 0.1° |
| C10 | C9 | C7 | O1 | 179.8° | 180.0° |
| C10 | C9 | C7 | C28 | 0.3° | 0.0° |
| C26 | C10 | C9 | C7 | 0.3° | 0.0° |
| C10 | C26 | CL30 | C27 | 179.4° | 179.9° |
| C10 | C26 | C27 | C28 | 0.4° | 0.1° |
| C10 | C26 | C27 | H21 | 179.6° | 180.0° |
| C26 | C10 | C9 | H29 | 179.7° | 180.0° |
| C9 | C7 | O1 | C11 | 27.9° | 5.6° |
| C9 | C7 | O1 | C28 | 179.5° | 180.0° |
| C9 | C7 | C28 | C27 | 0.5° | 0.1° |
| C7 | C9 | C10 | H1 | 179.7° | 179.7° |
| C9 | C7 | C28 | H22 | 179.5° | 180.0° |
| O38 | C15 | C14 | C34 | 66.3° | 98.4° |
| O38 | C15 | C14 | N13 | 49.3° | 16.8° |
| O38 | C15 | C14 | N16 | 179.4° | 180.0° |
| O38 | C15 | N16 | C17 | 6.0° | 0.0° |
| O38 | C15 | C14 | H5 | 171.8° | 139.3° |
| O38 | C15 | N16 | H30 | 174.0° | 179.9° |
| C25 | C18 | C34 | C23 | 161.1° | 144.7° |
| C25 | C18 | C34 | C14 | 165.3° | 160.8° |
| C25 | C18 | C16 | H6 | 2.9° | 3.9° |
| C25 | C18 | C23 | H15 | 50.4° | 34.1° |
| C25 | C18 | C23 | H16 | 170.4° | 86.0° |
| C25 | C18 | C23 | H17 | 69.7° | 154.0° |
| C18 | C25 | H18 | H19 | 120.0° | 120.0° |
| C18 | C25 | H18 | H20 | 120.0° | 120.0° |
| C18 | C25 | H19 | H20 | 120.0° | 120.0° |
| C25 | C18 | C34 | H24 | 11.3° | 4.2° |
| O1 | C11 | C12 | H2 | 118.5° | 120.0° |
| C11 | O1 | C7 | C28 | 152.6° | 174.4° |
| O1 | C11 | C12 | N13 | 56.4° | 150.0° |
| O1 | C11 | C12 | O33 | 123.8° | 30.1° |
| C12 | C11 | O1 | C7 | 155.8° | 57.2° |
| C11 | C12 | N13 | O33 | 179.8° | 179.9° |
| C11 | C12 | N13 | C14 | 175.8° | 180.0° |
| CL30 | C26 | C27 | C28 | 179.8° | 180.0° |
| CL30 | C26 | C10 | H1 | 0.0° | 0.3° |
| CL30 | C26 | C27 | H21 | 0.2° | 0.0° |
| C26 | C27 | C28 | C7 | 0.2° | 0.1° |
| C26 | C27 | C28 | H21 | 180.0° | 179.9° |
| C27 | C26 | C10 | H1 | 179.4° | 179.7° |
| C26 | C27 | C28 | H22 | 179.8° | 179.9° |
| C18 | C34 | C14 | H24 | 154.1° | 156.9° |
| C18 | C34 | C14 | N13 | 62.2° | 39.5° |
| C18 | C34 | C14 | C15 | 179.8° | 158.4° |
| C18 | C34 | C14 | H5 | 58.1° | 79.3° |
| C34 | C18 | C23 | H15 | 111.5° | 179.4° |
| C34 | C18 | C23 | H16 | 8.5° | 59.4° |
| C34 | C18 | C23 | H17 | 128.5° | 60.6° |
| C34 | C18 | C25 | H18 | 114.3° | 60.6° |
| C34 | C18 | C25 | H19 | 125.7° | 59.4° |
| C34 | C18 | C25 | H20 | 5.7° | 179.4° |
| C34 | C14 | N13 | C12 | 175.2° | 140.5° |
| C34 | C14 | N13 | C15 | 118.3° | 118.8° |
| C34 | C14 | N13 | H5 | 119.6° | 118.8° |
| C14 | C34 | C18 | C23 | 4.2° | 16.1° |
| C34 | C14 | C15 | H5 | 121.9° | 122.3° |
| C34 | C14 | C15 | N16 | 114.3° | 81.6° |
| C14 | C34 | C16 | H6 | 140.3° | 136.9° |
| O1 | C7 | C28 | C27 | 180.0° | 179.9° |
| C7 | O1 | C11 | H2 | 38.0° | 177.2° |
| O1 | C7 | C28 | H22 | 0.0° | 0.0° |
| O1 | C7 | C9 | H29 | 0.2° | 0.0° |
| C7 | C28 | C27 | H22 | 180.0° | 180.0° |
| C7 | C28 | C27 | H21 | 179.9° | 180.0° |
| C28 | C7 | C9 | H29 | 179.8° | 180.0° |
| C12 | N13 | C14 | C15 | 66.5° | 100.7° |
| N13 | C12 | C11 | H2 | 174.9° | 90.0° |
| C12 | N13 | C13 | H3 | 65.0° | 100.8° |
| C12 | N13 | C13 | H4 | 55.7° | 21.6° |
| C12 | N13 | C14 | H5 | 55.7° | 21.7° |
| N13 | C14 | C15 | H5 | 122.6° | 122.5° |
| N13 | C14 | C15 | N16 | 130.1° | 163.2° |
| C14 | N13 | C12 | O33 | 4.4° | 0.1° |
| C14 | N13 | C13 | H3 | 115.3° | 79.1° |
| C14 | N13 | C13 | H4 | 123.9° | 158.5° |
| N13 | C14 | C34 | H24 | 143.7° | 163.6° |
| C23 | C18 | C16 | H6 | 134.5° | 140.9° |
| C18 | C23 | H15 | H16 | 120.0° | 120.1° |
| C18 | C23 | H15 | H17 | 120.0° | 120.0° |
| C18 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C18 | C25 | H18 | 48.5° | 154.0° |
| C23 | C18 | C25 | H19 | 71.5° | 85.9° |
| C23 | C18 | C25 | H20 | 168.4° | 34.0° |
| C23 | C18 | C34 | H24 | 149.8° | 140.5° |
| C14 | C15 | N16 | C17 | 174.7° | 180.0° |
| C15 | C14 | C34 | H24 | 26.2° | 44.7° |
| C14 | C15 | N16 | H30 | 5.3° | 0.0° |
| C15 | N16 | C17 | H30 | 180.0° | 179.9° |
| C15 | N16 | C17 | C8 | 110.6° | 89.1° |
| C15 | N16 | C17 | C19 | 129.2° | 150.9° |
| N16 | C15 | C14 | H5 | 7.6° | 40.7° |
| C15 | N16 | C17 | H7 | 9.2° | 30.9° |
| O33 | C12 | C11 | H2 | 5.3° | 89.9° |
| C22 | C21 | C20 | H12 | 119.5° | 118.5° |
| C22 | C21 | C20 | H13 | 119.4° | 118.4° |
| C21 | C22 | N23 | H14 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 126.9° | 118.3° |
| C22 | C21 | C20 | C24 | 7.3° | 0.0° |
| C21 | C22 | N23 | C24 | 4.1° | 0.0° |
| C22 | C21 | C20 | H11 | 110.6° | 118.3° |
| C22 | C21 | H12 | H13 | 121.6° | 123.1° |
| C20 | C21 | C22 | N23 | 7.1° | 0.0° |
| C21 | C20 | C19 | C17 | 70.0° | 71.2° |
| C21 | C20 | C19 | C24 | 115.0° | 113.2° |
| C21 | C20 | C19 | H11 | 122.5° | 123.5° |
| C21 | C20 | C24 | H11 | 117.7° | 118.5° |
| C21 | C20 | C24 | N23 | 5.3° | 0.0° |
| C21 | C20 | C24 | O26 | 175.5° | 180.0° |
| C21 | C20 | C19 | H8 | 169.9° | 168.8° |
| C21 | C20 | C19 | H9 | 50.1° | 48.8° |
| C20 | C21 | H12 | H13 | 121.5° | 123.1° |
| C20 | C21 | C22 | H14 | 173.0° | 180.0° |
| C22 | N23 | C24 | C20 | 0.8° | 0.0° |
| C22 | N23 | C24 | O26 | 180.0° | 180.0° |
| N23 | C22 | C21 | H12 | 126.5° | 118.4° |
| N23 | C22 | C21 | H13 | 112.4° | 118.4° |
| N16 | C17 | C8 | C19 | 119.4° | 120.0° |
| N16 | C17 | C8 | H7 | 120.4° | 120.0° |
| N16 | C17 | C19 | H7 | 120.5° | 120.0° |
| N16 | C17 | C8 | O9 | 170.2° | 65.0° |
| N16 | C17 | C19 | C20 | 57.9° | 62.8° |
| N16 | C17 | C19 | H8 | 62.2° | 57.2° |
| N16 | C17 | C19 | H9 | 178.1° | 177.2° |
| N16 | C17 | C8 | H27 | 69.4° | 55.0° |
| N16 | C17 | C8 | H28 | 49.9° | 175.0° |
| C8 | C17 | C19 | H7 | 120.2° | 120.0° |
| C17 | C8 | O9 | H27 | 120.3° | 120.0° |
| C17 | C8 | O9 | H28 | 120.3° | 120.0° |
| C8 | C17 | C19 | C20 | 177.3° | 177.2° |
| C8 | C17 | C19 | H8 | 57.1° | 62.8° |
| C8 | C17 | C19 | H9 | 62.6° | 57.2° |
| C17 | C8 | H27 | H28 | 119.1° | 120.0° |
| C8 | C17 | N16 | H30 | 69.4° | 91.0° |
| C17 | C8 | O9 | H31 | 180.0° | 179.9° |
| C19 | C17 | C8 | O9 | 70.3° | 55.0° |
| C17 | C19 | C20 | H8 | 120.1° | 120.0° |
| C17 | C19 | C20 | H9 | 120.1° | 120.0° |
| C17 | C19 | C20 | C24 | 175.0° | 175.5° |
| C17 | C19 | H8 | H9 | 119.6° | 120.0° |
| C17 | C19 | C20 | H11 | 52.5° | 52.3° |
| C19 | C17 | C8 | H27 | 50.0° | 175.0° |
| C19 | C17 | C8 | H28 | 169.4° | 64.9° |
| C19 | C17 | N16 | H30 | 50.8° | 29.0° |
| O9 | C8 | C17 | H7 | 49.8° | 175.0° |
| O9 | C8 | H27 | H28 | 119.0° | 120.0° |
| C19 | C20 | C24 | H11 | 122.4° | 123.2° |
| C19 | C20 | C24 | N23 | 125.2° | 118.3° |
| C19 | C20 | C24 | O26 | 55.6° | 61.7° |
| C20 | C19 | C17 | H7 | 62.6° | 57.3° |
| C20 | C19 | H8 | H9 | 119.6° | 120.0° |
| C19 | C20 | C21 | H12 | 113.7° | 0.2° |
| C19 | C20 | C21 | H13 | 7.4° | 123.3° |
| C20 | C24 | N23 | O26 | 179.2° | 180.0° |
| C24 | C20 | C19 | H8 | 54.9° | 55.6° |
| C24 | C20 | C19 | H9 | 64.9° | 64.4° |
| C24 | C20 | C21 | H12 | 126.8° | 118.4° |
| C24 | C20 | C21 | H13 | 112.1° | 118.4° |
| N23 | C24 | C20 | H11 | 112.4° | 118.5° |
| C24 | N23 | C22 | H14 | 176.0° | 180.0° |
| O26 | C24 | C20 | H11 | 66.8° | 61.5° |
| H1 | C10 | C9 | H29 | 0.3° | 0.3° |
| H3 | C13 | C16 | H6 | 23.3° | 44.2° |
| H4 | C13 | C16 | H6 | 97.4° | 78.2° |
| H5 | C14 | C34 | H24 | 96.0° | 77.6° |
| H6 | C16 | C34 | H24 | 0.4° | 0.9° |
| H7 | C17 | C19 | H8 | 177.3° | 177.2° |
| H7 | C17 | C19 | H9 | 57.6° | 62.8° |
| H7 | C17 | C8 | H27 | 170.1° | 65.0° |
| H7 | C17 | C8 | H28 | 70.5° | 55.1° |
| H7 | C17 | N16 | H30 | 170.8° | 149.1° |
| H8 | C19 | C20 | H11 | 67.6° | 67.7° |
| H9 | C19 | C20 | H11 | 172.6° | 172.3° |
| H10 | C2 | C3 | H23 | 0.3° | 0.0° |
| H11 | C20 | C21 | H12 | 8.9° | 123.2° |
| H11 | C20 | C21 | H13 | 129.9° | 0.1° |
| H12 | C21 | C22 | H14 | 53.5° | 61.5° |
| H13 | C21 | C22 | H14 | 67.6° | 61.6° |
| H15 | C23 | H16 | H17 | 120.0° | 119.9° |
| H18 | C25 | H19 | H20 | 120.0° | 120.0° |
| H21 | C27 | C28 | H22 | 0.1° | 0.0° |
| H25 | C5 | C6 | H26 | 0.2° | 0.0° |
| H27 | C8 | O9 | H31 | 59.7° | 60.0° |
| H28 | C8 | O9 | H31 | 59.7° | 59.9° |
