A1I6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | O1 | sing | 1.45Å | 1.48Å | |
| O1 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | O2 | doub | 1.22Å | 1.21Å | |
| C5 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C11 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.50Å | |
| C14 | O4 | doub | 1.21Å | 1.26Å | |
| C14 | O5 | sing | 1.35Å | 1.26Å | |
| C13 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.47Å | |
| C18 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.39Å | Aromatic |
| N3 | C19 | sing | 1.35Å | 1.41Å | |
| C19 | O6 | doub | 1.22Å | 1.21Å | |
| C19 | C20 | sing | 1.48Å | 1.49Å | |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | CL1 | sing | 1.74Å | 1.74Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C26 | F1 | sing | 1.40Å | 1.32Å | |
| C26 | F2 | sing | 1.40Å | 1.32Å | |
| C26 | F3 | sing | 1.40Å | 1.32Å | |
| N3 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | CL2 | sing | 1.74Å | 1.75Å | |
| C30 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C33 | sing | 1.53Å | 1.53Å | |
| N1 | C33 | sing | 1.47Å | 1.47Å | |
| C11 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C32 | sing | 1.47Å | 1.43Å | Aromatic |
| C20 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C32 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| O5 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | C4 | 110.6° | 109.5° |
| C1 | C2 | O1 | 106.1° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C3 | C2 | C4 | 111.7° | 109.5° |
| C3 | C2 | O1 | 109.9° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.4° |
| C2 | C3 | H5 | 109.4° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.4° |
| C4 | C2 | O1 | 108.0° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | O1 | C5 | 122.8° | 117.0° |
| O1 | C5 | O2 | 125.6° | 120.0° |
| O1 | C5 | N1 | 110.9° | 120.0° |
| O2 | C5 | N1 | 123.5° | 120.0° |
| C5 | N1 | C6 | 121.4° | 120.6° |
| C5 | N1 | C33 | 121.7° | 120.7° |
| N1 | C6 | C7 | 111.8° | 108.8° |
| C6 | N1 | C33 | 116.7° | 118.8° |
| N1 | C6 | H11 | 108.9° | 109.6° |
| N1 | C6 | H10 | 108.9° | 109.6° |
| C6 | C7 | C8 | 109.9° | 109.3° |
| C7 | C6 | H11 | 108.9° | 109.6° |
| C7 | C6 | H10 | 108.9° | 109.6° |
| C6 | C7 | H13 | 109.4° | 109.5° |
| C6 | C7 | H12 | 109.3° | 109.5° |
| C7 | C8 | C9 | 110.6° | 109.6° |
| C8 | C7 | H13 | 109.4° | 109.5° |
| C8 | C7 | H12 | 109.4° | 109.5° |
| C7 | C8 | H15 | 109.2° | 109.5° |
| C7 | C8 | H14 | 109.2° | 109.5° |
| C8 | C9 | C10 | 111.7° | 109.5° |
| C8 | C9 | C33 | 110.2° | 109.3° |
| C9 | C8 | H15 | 109.2° | 109.5° |
| C9 | C8 | H14 | 109.2° | 109.4° |
| C8 | C9 | H16 | 108.0° | 109.5° |
| C9 | C10 | O3 | 109.6° | 109.4° |
| C10 | C9 | C33 | 110.9° | 109.5° |
| C10 | C9 | H16 | 108.1° | 109.5° |
| C9 | C10 | H17 | 109.4° | 109.5° |
| C9 | C10 | H18 | 109.4° | 109.5° |
| C10 | O3 | C11 | 116.0° | 117.0° |
| O3 | C10 | H17 | 109.4° | 109.5° |
| O3 | C10 | H18 | 109.4° | 109.4° |
| O3 | C11 | C12 | 119.9° | 120.1° |
| O3 | C11 | C17 | 120.1° | 120.1° |
| C11 | C12 | C13 | 120.4° | 119.9° |
| C12 | C11 | C17 | 119.9° | 119.8° |
| C11 | C12 | H19 | 119.8° | 120.0° |
| C12 | C13 | C14 | 119.7° | 120.0° |
| C12 | C13 | C15 | 120.0° | 120.0° |
| C13 | C12 | H19 | 119.8° | 120.0° |
| C13 | C14 | O4 | 117.3° | 120.1° |
| C13 | C14 | O5 | 117.9° | 120.0° |
| C14 | C13 | C15 | 120.4° | 120.0° |
| O4 | C14 | O5 | 124.8° | 119.9° |
| C14 | O5 | H30 | 109.5° | 117.0° |
| C13 | C15 | C16 | 120.0° | 120.0° |
| C13 | C15 | H20 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.6° | 120.1° |
| C15 | C16 | H21 | 119.7° | 119.9° |
| C16 | C15 | H20 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.0° | 120.0° |
| C16 | C17 | C11 | 119.0° | 120.0° |
| C17 | C16 | H21 | 119.7° | 120.0° |
| C17 | C18 | N2 | 121.5° | 126.1° |
| C18 | C17 | C11 | 121.7° | 120.0° |
| C17 | C18 | C32 | 128.6° | 126.2° |
| C18 | N2 | N3 | 107.4° | 110.0° |
| N2 | C18 | C32 | 109.7° | 107.7° |
| N2 | N3 | C19 | 119.6° | 125.4° |
| N2 | N3 | C27 | 110.5° | 109.2° |
| N3 | C19 | O6 | 118.9° | 120.0° |
| N3 | C19 | C20 | 119.3° | 120.0° |
| C19 | N3 | C27 | 129.9° | 125.4° |
| O6 | C19 | C20 | 121.8° | 120.0° |
| C19 | C20 | C21 | 119.3° | 120.1° |
| C19 | C20 | C25 | 121.8° | 120.2° |
| C20 | C21 | CL1 | 121.5° | 120.1° |
| C20 | C21 | C22 | 121.0° | 119.8° |
| C21 | C20 | C25 | 119.0° | 119.7° |
| CL1 | C21 | C22 | 117.5° | 120.1° |
| C21 | C22 | C23 | 119.5° | 120.2° |
| C21 | C22 | H22 | 120.3° | 119.9° |
| C22 | C23 | C24 | 120.5° | 120.3° |
| C23 | C22 | H22 | 120.2° | 119.9° |
| C22 | C23 | H23 | 119.8° | 119.9° |
| C23 | C24 | C25 | 120.8° | 120.2° |
| C24 | C23 | H23 | 119.7° | 119.8° |
| C23 | C24 | H24 | 119.6° | 119.9° |
| C24 | C25 | C26 | 118.0° | 120.1° |
| C24 | C25 | C20 | 119.2° | 119.8° |
| C25 | C24 | H24 | 119.6° | 119.9° |
| C25 | C26 | F1 | 112.8° | 109.5° |
| C25 | C26 | F2 | 112.7° | 109.5° |
| C25 | C26 | F3 | 113.6° | 109.5° |
| C26 | C25 | C20 | 122.8° | 120.1° |
| F1 | C26 | F2 | 104.5° | 109.5° |
| F1 | C26 | F3 | 105.8° | 109.5° |
| F2 | C26 | F3 | 106.7° | 109.5° |
| N3 | C27 | C28 | 133.5° | 133.6° |
| N3 | C27 | C32 | 105.0° | 106.8° |
| C27 | C28 | C29 | 118.0° | 119.9° |
| C28 | C27 | C32 | 121.5° | 119.6° |
| C27 | C28 | H25 | 121.0° | 120.1° |
| C28 | C29 | C30 | 119.9° | 120.6° |
| C28 | C29 | H26 | 120.1° | 119.7° |
| C29 | C28 | H25 | 121.0° | 120.1° |
| C29 | C30 | CL2 | 119.8° | 119.8° |
| C29 | C30 | C31 | 122.9° | 120.4° |
| C30 | C29 | H26 | 120.0° | 119.8° |
| CL2 | C30 | C31 | 117.2° | 119.8° |
| C30 | C31 | C32 | 117.6° | 119.7° |
| C30 | C31 | H27 | 121.2° | 120.2° |
| C31 | C32 | C18 | 132.7° | 133.8° |
| C31 | C32 | C27 | 120.0° | 119.9° |
| C32 | C31 | H27 | 121.2° | 120.2° |
| C9 | C33 | N1 | 115.6° | 108.8° |
| C33 | C9 | H16 | 108.0° | 109.5° |
| C9 | C33 | H29 | 107.9° | 109.6° |
| C9 | C33 | H28 | 107.9° | 109.6° |
| N1 | C33 | H29 | 107.9° | 109.5° |
| N1 | C33 | H28 | 107.9° | 109.6° |
| C18 | C32 | C27 | 107.3° | 106.3° |
| H6 | C3 | H5 | 109.5° | 109.5° |
| H6 | C3 | H4 | 109.4° | 109.5° |
| H5 | C3 | H4 | 109.5° | 109.6° |
| H9 | C4 | H7 | 109.5° | 109.5° |
| H9 | C4 | H8 | 109.4° | 109.4° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H11 | C6 | H10 | 109.5° | 109.6° |
| H13 | C7 | H12 | 109.4° | 109.5° |
| H15 | C8 | H14 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H29 | C33 | H28 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 123.5° | 120.0° |
| C1 | C2 | C3 | O1 | 116.6° | 120.0° |
| C1 | C2 | C4 | O1 | 115.6° | 120.0° |
| C1 | C2 | O1 | C5 | 177.7° | 62.2° |
| C1 | C2 | C3 | H6 | 180.0° | 60.0° |
| C1 | C2 | C3 | H5 | 60.0° | 180.0° |
| C1 | C2 | C3 | H4 | 60.0° | 59.9° |
| C1 | C2 | C4 | H9 | 180.0° | 60.0° |
| C1 | C2 | C4 | H7 | 60.0° | 180.0° |
| C1 | C2 | C4 | H8 | 60.0° | 60.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C3 | C2 | C4 | O1 | 121.0° | 120.0° |
| C3 | C2 | O1 | C5 | 58.4° | 57.7° |
| C2 | C3 | H6 | H5 | 120.0° | 120.0° |
| C2 | C3 | H6 | H4 | 120.0° | 119.9° |
| C2 | C3 | H5 | H4 | 120.0° | 120.0° |
| C3 | C2 | C4 | H9 | 56.6° | 180.0° |
| C3 | C2 | C4 | H7 | 63.4° | 60.0° |
| C3 | C2 | C4 | H8 | 176.6° | 60.0° |
| C3 | C2 | C1 | H3 | 180.0° | 64.5° |
| C3 | C2 | C1 | H1 | 60.0° | 175.5° |
| C3 | C2 | C1 | H2 | 60.0° | 55.5° |
| C4 | C2 | O1 | C5 | 63.8° | 177.7° |
| C4 | C2 | C3 | H6 | 56.5° | 60.0° |
| C4 | C2 | C3 | H5 | 176.5° | 60.0° |
| C4 | C2 | C3 | H4 | 63.5° | 179.9° |
| C2 | C4 | H9 | H7 | 120.0° | 120.0° |
| C2 | C4 | H9 | H8 | 120.0° | 120.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | C2 | C1 | H3 | 55.8° | 175.6° |
| C4 | C2 | C1 | H1 | 64.2° | 55.5° |
| C4 | C2 | C1 | H2 | 175.8° | 64.5° |
| C2 | O1 | C5 | O2 | 4.0° | 5.3° |
| C2 | O1 | C5 | N1 | 172.9° | 174.7° |
| O1 | C2 | C3 | H6 | 63.4° | 180.0° |
| O1 | C2 | C3 | H5 | 56.7° | 60.0° |
| O1 | C2 | C3 | H4 | 176.6° | 60.0° |
| O1 | C2 | C4 | H9 | 64.4° | 60.0° |
| O1 | C2 | C4 | H7 | 175.6° | 60.0° |
| O1 | C2 | C4 | H8 | 55.6° | 180.0° |
| O1 | C2 | C1 | H3 | 61.0° | 55.5° |
| O1 | C2 | C1 | H1 | 179.0° | 64.5° |
| O1 | C2 | C1 | H2 | 59.0° | 175.5° |
| O1 | C5 | O2 | N1 | 176.5° | 180.0° |
| O1 | C5 | N1 | C6 | 10.9° | 5.1° |
| O1 | C5 | N1 | C33 | 174.1° | 175.0° |
| O2 | C5 | N1 | C6 | 166.1° | 174.9° |
| O2 | C5 | N1 | C33 | 8.9° | 5.0° |
| C5 | N1 | C6 | C33 | 175.2° | 179.9° |
| C5 | N1 | C6 | C7 | 137.5° | 126.4° |
| C5 | N1 | C33 | C9 | 142.8° | 126.4° |
| C5 | N1 | C6 | H11 | 102.1° | 6.5° |
| C5 | N1 | C6 | H10 | 17.2° | 113.8° |
| C5 | N1 | C33 | H29 | 96.4° | 113.8° |
| C5 | N1 | C33 | H28 | 21.9° | 6.5° |
| N1 | C6 | C7 | H11 | 120.3° | 119.9° |
| N1 | C6 | C7 | H10 | 120.3° | 119.9° |
| N1 | C6 | C7 | C8 | 56.3° | 54.6° |
| C6 | N1 | C33 | C9 | 42.0° | 53.5° |
| N1 | C6 | H11 | H10 | 118.9° | 120.4° |
| N1 | C6 | C7 | H13 | 176.4° | 174.6° |
| N1 | C6 | C7 | H12 | 63.8° | 65.4° |
| C6 | N1 | C33 | H29 | 78.8° | 66.2° |
| C6 | N1 | C33 | H28 | 162.9° | 173.4° |
| C6 | C7 | C8 | H13 | 120.1° | 120.0° |
| C6 | C7 | C8 | H12 | 120.1° | 119.9° |
| C6 | C7 | C8 | C9 | 61.1° | 61.3° |
| C7 | C6 | N1 | C33 | 47.3° | 53.5° |
| C7 | C6 | H11 | H10 | 119.0° | 120.3° |
| C6 | C7 | H13 | H12 | 119.8° | 120.1° |
| C6 | C7 | C8 | H15 | 59.1° | 58.7° |
| C6 | C7 | C8 | H14 | 178.8° | 178.7° |
| C7 | C8 | C9 | H15 | 120.2° | 120.1° |
| C7 | C8 | C9 | H14 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 177.7° | 178.6° |
| C7 | C8 | C9 | C33 | 54.1° | 61.4° |
| C8 | C7 | C6 | H11 | 64.0° | 174.4° |
| C8 | C7 | C6 | H10 | 176.6° | 65.3° |
| C8 | C7 | H13 | H12 | 119.8° | 120.1° |
| C7 | C8 | H15 | H14 | 119.5° | 120.0° |
| C7 | C8 | C9 | H16 | 63.6° | 58.6° |
| C8 | C9 | C10 | C33 | 123.2° | 119.8° |
| C8 | C9 | C10 | H16 | 118.6° | 120.1° |
| C8 | C9 | C10 | O3 | 64.0° | 175.5° |
| C8 | C9 | C33 | H16 | 117.7° | 119.9° |
| C8 | C9 | C33 | N1 | 44.3° | 54.6° |
| C9 | C8 | C7 | H13 | 178.8° | 178.7° |
| C9 | C8 | C7 | H12 | 59.0° | 58.6° |
| C9 | C8 | H15 | H14 | 119.4° | 119.9° |
| C8 | C9 | C10 | H17 | 176.0° | 55.4° |
| C8 | C9 | C10 | H18 | 56.0° | 64.6° |
| C8 | C9 | C33 | H29 | 76.5° | 65.1° |
| C8 | C9 | C33 | H28 | 165.2° | 174.4° |
| C9 | C10 | O3 | H17 | 120.0° | 120.1° |
| C9 | C10 | O3 | H18 | 120.0° | 120.0° |
| C9 | C10 | O3 | C11 | 160.4° | 175.4° |
| C10 | C9 | C33 | H16 | 118.2° | 120.1° |
| C10 | C9 | C33 | N1 | 168.4° | 174.6° |
| C10 | C9 | C8 | H15 | 57.5° | 61.3° |
| C10 | C9 | C8 | H14 | 62.1° | 58.7° |
| C9 | C10 | H17 | H18 | 119.9° | 120.0° |
| C10 | C9 | C33 | H29 | 47.6° | 54.8° |
| C10 | C9 | C33 | H28 | 70.7° | 65.6° |
| C10 | O3 | C11 | C12 | 16.1° | 5.6° |
| O3 | C10 | C9 | C33 | 172.8° | 64.7° |
| C10 | O3 | C11 | C17 | 160.3° | 174.0° |
| O3 | C10 | C9 | H16 | 54.6° | 55.4° |
| O3 | C10 | H17 | H18 | 119.9° | 120.0° |
| O3 | C11 | C12 | C17 | 176.4° | 179.5° |
| O3 | C11 | C12 | C13 | 178.5° | 180.0° |
| O3 | C11 | C17 | C16 | 179.8° | 180.0° |
| O3 | C11 | C17 | C18 | 6.7° | 0.0° |
| C11 | O3 | C10 | H17 | 40.4° | 55.4° |
| C11 | O3 | C10 | H18 | 79.6° | 64.6° |
| O3 | C11 | C12 | H19 | 1.5° | 0.2° |
| C11 | C12 | C13 | H19 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 178.7° | 179.8° |
| C11 | C12 | C13 | C15 | 0.4° | 0.2° |
| C12 | C11 | C17 | C16 | 3.4° | 0.5° |
| C12 | C11 | C17 | C18 | 176.9° | 179.5° |
| C12 | C13 | C14 | C15 | 179.1° | 180.0° |
| C12 | C13 | C14 | O4 | 179.9° | 0.0° |
| C12 | C13 | C14 | O5 | 1.7° | 180.0° |
| C12 | C13 | C15 | C16 | 0.0° | 0.0° |
| C13 | C12 | C11 | C17 | 2.2° | 0.5° |
| C12 | C13 | C15 | H20 | 180.0° | 180.0° |
| C13 | C14 | O4 | O5 | 178.3° | 179.9° |
| C14 | C13 | C15 | C16 | 179.1° | 180.0° |
| C14 | C13 | C15 | H20 | 0.9° | 0.0° |
| C14 | C13 | C12 | H19 | 1.4° | 0.0° |
| C13 | C14 | O5 | H30 | 178.3° | 180.0° |
| O4 | C14 | C13 | C15 | 1.1° | 180.0° |
| O4 | C14 | O5 | H30 | 0.0° | 0.1° |
| O5 | C14 | C13 | C15 | 177.3° | 0.0° |
| C13 | C15 | C16 | H20 | 180.0° | 180.0° |
| C13 | C15 | C16 | C17 | 1.3° | 0.0° |
| C13 | C15 | C16 | H21 | 178.7° | 179.7° |
| C15 | C13 | C12 | H19 | 179.6° | 180.0° |
| C15 | C16 | C17 | H21 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 176.7° | 179.7° |
| C15 | C16 | C17 | C11 | 3.0° | 0.2° |
| C16 | C17 | C18 | C11 | 173.5° | 180.0° |
| C16 | C17 | C18 | N2 | 46.3° | 135.4° |
| C16 | C17 | C18 | C32 | 128.1° | 44.6° |
| C17 | C16 | C15 | H20 | 178.7° | 180.0° |
| C17 | C18 | N2 | C32 | 175.3° | 180.0° |
| C17 | C18 | N2 | N3 | 177.2° | 180.0° |
| C17 | C18 | C32 | C31 | 4.3° | 0.1° |
| C17 | C18 | C32 | C27 | 176.3° | 180.0° |
| C18 | C17 | C16 | H21 | 3.3° | 0.0° |
| C18 | N2 | N3 | C19 | 179.4° | 180.0° |
| C18 | N2 | N3 | C27 | 1.7° | 0.0° |
| N2 | C18 | C32 | C31 | 179.1° | 179.9° |
| N2 | C18 | C17 | C11 | 140.2° | 44.6° |
| N2 | C18 | C32 | C27 | 1.5° | 0.0° |
| N2 | N3 | C19 | C27 | 178.7° | 180.0° |
| N2 | N3 | C19 | O6 | 157.8° | 95.0° |
| N2 | N3 | C19 | C20 | 20.2° | 85.1° |
| N2 | N3 | C27 | C28 | 179.5° | 180.0° |
| N3 | N2 | C18 | C32 | 1.9° | 0.0° |
| N2 | N3 | C27 | C32 | 0.8° | 0.0° |
| N3 | C19 | O6 | C20 | 177.9° | 179.9° |
| N3 | C19 | C20 | C21 | 57.5° | 3.5° |
| C19 | N3 | C27 | C28 | 0.7° | 0.0° |
| N3 | C19 | C20 | C25 | 122.6° | 176.9° |
| C19 | N3 | C27 | C32 | 179.6° | 180.0° |
| O6 | C19 | C20 | C21 | 124.6° | 176.5° |
| O6 | C19 | N3 | C27 | 23.5° | 85.0° |
| O6 | C19 | C20 | C25 | 55.4° | 3.1° |
| C19 | C20 | C21 | C25 | 180.0° | 179.6° |
| C19 | C20 | C21 | CL1 | 0.2° | 0.1° |
| C19 | C20 | C21 | C22 | 180.0° | 180.0° |
| C19 | C20 | C25 | C24 | 179.6° | 179.7° |
| C19 | C20 | C25 | C26 | 1.1° | 0.1° |
| C20 | C19 | N3 | C27 | 158.5° | 95.0° |
| C20 | C21 | CL1 | C22 | 179.8° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C21 | C20 | C25 | C24 | 0.4° | 0.7° |
| C21 | C20 | C25 | C26 | 178.8° | 179.7° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| CL1 | C21 | C22 | C23 | 179.7° | 180.0° |
| CL1 | C21 | C20 | C25 | 179.8° | 179.7° |
| CL1 | C21 | C22 | H22 | 0.3° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C21 | C20 | C25 | 0.0° | 0.4° |
| C21 | C22 | C23 | H23 | 179.8° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.6° | 0.3° |
| C22 | C23 | C24 | H24 | 179.4° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 179.2° | 179.7° |
| C23 | C24 | C25 | C20 | 0.7° | 0.6° |
| C24 | C23 | C22 | H22 | 179.8° | 180.0° |
| C24 | C25 | C26 | C20 | 178.5° | 179.7° |
| C24 | C25 | C26 | F1 | 18.3° | 0.3° |
| C24 | C25 | C26 | F2 | 99.7° | 120.3° |
| C24 | C25 | C26 | F3 | 138.8° | 119.7° |
| C25 | C24 | C23 | H23 | 179.4° | 179.8° |
| C25 | C26 | F1 | F2 | 122.8° | 120.0° |
| C25 | C26 | F1 | F3 | 124.8° | 120.0° |
| C25 | C26 | F2 | F3 | 125.3° | 120.0° |
| C26 | C25 | C24 | H24 | 0.8° | 0.1° |
| F1 | C26 | F2 | F3 | 111.8° | 120.0° |
| F1 | C26 | C25 | C20 | 163.2° | 180.0° |
| F2 | C26 | C25 | C20 | 78.8° | 60.0° |
| F3 | C26 | C25 | C20 | 42.7° | 59.9° |
| N3 | C27 | C28 | C32 | 179.6° | 179.9° |
| N3 | C27 | C28 | C29 | 178.9° | 180.0° |
| N3 | C27 | C32 | C31 | 179.8° | 179.9° |
| N3 | C27 | C32 | C18 | 0.4° | 0.0° |
| N3 | C27 | C28 | H25 | 1.1° | 0.0° |
| C27 | C28 | C29 | H25 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.7° | 0.0° |
| C28 | C27 | C32 | C31 | 0.1° | 0.1° |
| C28 | C27 | C32 | C18 | 179.4° | 180.0° |
| C27 | C28 | C29 | H26 | 178.2° | 180.0° |
| C28 | C29 | C30 | H26 | 180.0° | 179.9° |
| C28 | C29 | C30 | CL2 | 179.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.8° | 0.0° |
| C29 | C28 | C27 | C32 | 1.4° | 0.0° |
| C29 | C30 | CL2 | C31 | 179.8° | 180.0° |
| C29 | C30 | C31 | C32 | 0.5° | 0.1° |
| C30 | C29 | C28 | H25 | 178.3° | 180.0° |
| C29 | C30 | C31 | H27 | 179.5° | 180.0° |
| CL2 | C30 | C31 | C32 | 179.7° | 179.9° |
| CL2 | C30 | C29 | H26 | 1.1° | 0.0° |
| CL2 | C30 | C31 | H27 | 0.3° | 0.1° |
| C30 | C31 | C32 | H27 | 180.0° | 179.9° |
| C30 | C31 | C32 | C18 | 179.8° | 180.0° |
| C30 | C31 | C32 | C27 | 0.9° | 0.1° |
| C31 | C30 | C29 | H26 | 179.2° | 180.0° |
| C31 | C32 | C18 | C27 | 179.4° | 179.9° |
| C9 | C33 | N1 | H29 | 120.9° | 119.8° |
| C9 | C33 | N1 | H28 | 120.9° | 119.8° |
| C33 | C9 | C8 | H15 | 66.1° | 58.7° |
| C33 | C9 | C8 | H14 | 174.3° | 178.6° |
| C33 | C9 | C10 | H17 | 52.8° | 175.3° |
| C33 | C9 | C10 | H18 | 67.2° | 55.2° |
| C9 | C33 | H29 | H28 | 117.2° | 120.4° |
| C33 | N1 | C6 | H11 | 73.1° | 173.4° |
| C33 | N1 | C6 | H10 | 167.6° | 66.3° |
| N1 | C33 | C9 | H16 | 73.4° | 65.3° |
| N1 | C33 | H29 | H28 | 117.2° | 120.3° |
| C11 | C17 | C18 | C32 | 45.5° | 135.4° |
| C11 | C17 | C16 | H21 | 177.0° | 179.9° |
| C17 | C11 | C12 | H19 | 177.8° | 179.8° |
| C18 | C32 | C31 | H27 | 0.2° | 0.1° |
| C20 | C25 | C24 | H24 | 179.3° | 179.6° |
| C32 | C27 | C28 | H25 | 178.6° | 179.9° |
| C27 | C32 | C31 | H27 | 179.2° | 180.0° |
| H21 | C16 | C15 | H20 | 1.3° | 0.3° |
| H6 | C3 | H5 | H4 | 120.0° | 120.0° |
| H9 | C4 | H7 | H8 | 120.0° | 120.0° |
| H11 | C6 | C7 | H13 | 56.1° | 65.6° |
| H11 | C6 | C7 | H12 | 175.9° | 54.5° |
| H10 | C6 | C7 | H13 | 63.3° | 54.7° |
| H10 | C6 | C7 | H12 | 56.5° | 174.8° |
| H13 | C7 | C8 | H15 | 61.0° | 61.3° |
| H13 | C7 | C8 | H14 | 58.7° | 58.7° |
| H12 | C7 | C8 | H15 | 179.2° | 178.6° |
| H12 | C7 | C8 | H14 | 61.2° | 61.4° |
| H15 | C8 | C9 | H16 | 176.2° | 178.6° |
| H14 | C8 | C9 | H16 | 56.6° | 61.4° |
| H16 | C9 | C10 | H17 | 65.4° | 64.6° |
| H16 | C9 | C10 | H18 | 174.6° | 175.3° |
| H16 | C9 | C33 | H29 | 165.8° | 174.9° |
| H16 | C9 | C33 | H28 | 47.5° | 54.5° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H26 | C29 | C28 | H25 | 1.8° | 0.1° |
| H22 | C22 | C23 | H23 | 0.2° | 0.1° |
| H23 | C23 | C24 | H24 | 0.6° | 0.0° |
