A1IP1
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 | 1.51Å | |
| C2 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | O1 | sing | 1.45Å | 1.49Å | |
| O1 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C10 | sing | 1.36Å | 1.38Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.51Å | |
| C13 | O4 | doub | 1.22Å | 1.26Å | |
| C13 | O5 | sing | 1.35Å | 1.25Å | |
| C12 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.47Å | |
| C17 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| N3 | C18 | sing | 1.35Å | 1.40Å | |
| C18 | O6 | doub | 1.21Å | 1.21Å | |
| C18 | C19 | sing | 1.48Å | 1.50Å | |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.75Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | F1 | sing | 1.40Å | 1.32Å | |
| C25 | F2 | sing | 1.40Å | 1.33Å | |
| C25 | F3 | sing | 1.40Å | 1.33Å | |
| N3 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | CL2 | sing | 1.74Å | 1.75Å | |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| N1 | C33 | sing | 1.47Å | 1.46Å | |
| C10 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C31 | sing | 1.47Å | 1.44Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| 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 | 109.0° | 109.5° |
| C1 | C2 | C4 | 111.3° | 109.5° |
| C1 | C2 | O1 | 109.3° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C3 | C2 | C4 | 110.1° | 109.5° |
| C3 | C2 | O1 | 107.9° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.4° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C4 | C2 | O1 | 109.2° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.4° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | O1 | C5 | 122.9° | 117.0° |
| O1 | C5 | O2 | 125.3° | 120.0° |
| O1 | C5 | N1 | 111.8° | 120.0° |
| O2 | C5 | N1 | 122.8° | 120.0° |
| C5 | N1 | C6 | 125.8° | 120.6° |
| C5 | N1 | C33 | 121.0° | 120.7° |
| N1 | C6 | C7 | 110.7° | 108.8° |
| C6 | N1 | C33 | 113.3° | 118.7° |
| N1 | C6 | H11 | 109.1° | 109.6° |
| N1 | C6 | H10 | 109.2° | 109.7° |
| C6 | C7 | C8 | 113.3° | 109.3° |
| C6 | C7 | H13 | 108.5° | 109.5° |
| C6 | C7 | H12 | 108.5° | 109.5° |
| C7 | C6 | H11 | 109.2° | 109.6° |
| C7 | C6 | H10 | 109.1° | 109.5° |
| C7 | C8 | C9 | 113.4° | 109.4° |
| C7 | C8 | C32 | 110.2° | 109.5° |
| C8 | C7 | H13 | 108.5° | 109.5° |
| C8 | C7 | H12 | 108.5° | 109.5° |
| C7 | C8 | H14 | 106.6° | 109.4° |
| C8 | C9 | O3 | 108.5° | 109.5° |
| C9 | C8 | C32 | 112.8° | 109.5° |
| C9 | C8 | H14 | 106.8° | 109.5° |
| C8 | C9 | H16 | 109.7° | 109.4° |
| C8 | C9 | H15 | 109.7° | 109.5° |
| C9 | O3 | C10 | 119.0° | 117.0° |
| O3 | C9 | H16 | 109.7° | 109.5° |
| O3 | C9 | H15 | 109.7° | 109.5° |
| O3 | C10 | C11 | 118.9° | 120.1° |
| O3 | C10 | C16 | 121.4° | 120.1° |
| C10 | C11 | C12 | 120.8° | 119.9° |
| C11 | C10 | C16 | 119.7° | 119.9° |
| C10 | C11 | H17 | 119.6° | 120.0° |
| C11 | C12 | C13 | 119.0° | 120.0° |
| C11 | C12 | C14 | 119.9° | 120.0° |
| C12 | C11 | H17 | 119.6° | 120.0° |
| C12 | C13 | O4 | 118.5° | 120.0° |
| C12 | C13 | O5 | 117.0° | 120.0° |
| C13 | C12 | C14 | 121.0° | 120.0° |
| O4 | C13 | O5 | 124.2° | 120.0° |
| C13 | O5 | H30 | 109.5° | 117.1° |
| C12 | C14 | C15 | 119.7° | 120.1° |
| C12 | C14 | H18 | 120.2° | 119.9° |
| C14 | C15 | C16 | 121.0° | 120.0° |
| C15 | C14 | H18 | 120.1° | 119.9° |
| C14 | C15 | H19 | 119.5° | 120.0° |
| C15 | C16 | C17 | 117.4° | 120.0° |
| C15 | C16 | C10 | 118.8° | 120.0° |
| C16 | C15 | H19 | 119.5° | 120.0° |
| C16 | C17 | N2 | 119.1° | 126.2° |
| C17 | C16 | C10 | 123.3° | 120.0° |
| C16 | C17 | C31 | 130.5° | 126.2° |
| C17 | N2 | N3 | 107.3° | 110.0° |
| N2 | C17 | C31 | 109.7° | 107.7° |
| N2 | N3 | C18 | 123.4° | 125.4° |
| N2 | N3 | C26 | 111.0° | 109.2° |
| N3 | C18 | O6 | 117.0° | 120.0° |
| N3 | C18 | C19 | 118.7° | 120.0° |
| C18 | N3 | C26 | 125.5° | 125.4° |
| O6 | C18 | C19 | 124.1° | 120.0° |
| C18 | C19 | C20 | 118.5° | 120.2° |
| C18 | C19 | C24 | 122.5° | 120.2° |
| C19 | C20 | CL1 | 120.9° | 120.1° |
| C19 | C20 | C21 | 121.3° | 119.8° |
| C20 | C19 | C24 | 119.0° | 119.6° |
| CL1 | C20 | C21 | 117.8° | 120.1° |
| C20 | C21 | C22 | 119.3° | 120.2° |
| C20 | C21 | H20 | 120.3° | 119.9° |
| C21 | C22 | C23 | 120.4° | 120.3° |
| C22 | C21 | H20 | 120.4° | 119.9° |
| C21 | C22 | H21 | 119.8° | 119.8° |
| C22 | C23 | C24 | 120.9° | 120.2° |
| C22 | C23 | H22 | 119.5° | 119.9° |
| C23 | C22 | H21 | 119.8° | 119.9° |
| C23 | C24 | C25 | 118.4° | 120.0° |
| C23 | C24 | C19 | 119.0° | 119.9° |
| C24 | C23 | H22 | 119.6° | 119.9° |
| C24 | C25 | F1 | 113.0° | 109.5° |
| C24 | C25 | F2 | 113.3° | 109.5° |
| C24 | C25 | F3 | 112.8° | 109.4° |
| C25 | C24 | C19 | 122.5° | 120.1° |
| F1 | C25 | F2 | 106.3° | 109.5° |
| F1 | C25 | F3 | 104.5° | 109.5° |
| F2 | C25 | F3 | 106.3° | 109.5° |
| N3 | C26 | C27 | 132.3° | 133.6° |
| N3 | C26 | C31 | 105.3° | 106.9° |
| C26 | C27 | C28 | 118.0° | 119.9° |
| C27 | C26 | C31 | 122.3° | 119.5° |
| C26 | C27 | H23 | 121.0° | 120.0° |
| C27 | C28 | C29 | 119.7° | 120.6° |
| C28 | C27 | H23 | 121.0° | 120.1° |
| C27 | C28 | H24 | 120.1° | 119.7° |
| C28 | C29 | CL2 | 117.8° | 119.7° |
| C28 | C29 | C30 | 123.2° | 120.4° |
| C29 | C28 | H24 | 120.2° | 119.7° |
| CL2 | C29 | C30 | 118.9° | 119.8° |
| C29 | C30 | C31 | 117.6° | 119.7° |
| C29 | C30 | H25 | 121.2° | 120.2° |
| C30 | C31 | C17 | 134.4° | 133.8° |
| C30 | C31 | C26 | 119.1° | 119.9° |
| C31 | C30 | H25 | 121.2° | 120.1° |
| C8 | C32 | C33 | 112.6° | 109.3° |
| C32 | C8 | H14 | 106.6° | 109.5° |
| C8 | C32 | H27 | 108.7° | 109.5° |
| C8 | C32 | H26 | 108.7° | 109.5° |
| C32 | C33 | N1 | 110.0° | 108.8° |
| C33 | C32 | H27 | 108.7° | 109.5° |
| C33 | C32 | H26 | 108.7° | 109.5° |
| C32 | C33 | H29 | 109.3° | 109.6° |
| C32 | C33 | H28 | 109.4° | 109.6° |
| N1 | C33 | H29 | 109.4° | 109.6° |
| N1 | C33 | H28 | 109.3° | 109.6° |
| C17 | C31 | C26 | 106.4° | 106.3° |
| H13 | C7 | H12 | 109.4° | 109.5° |
| H16 | C9 | H15 | 109.5° | 109.5° |
| H11 | C6 | H10 | 109.5° | 109.6° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.4° |
| H6 | C3 | H4 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H9 | C4 | H8 | 109.4° | 109.5° |
| H9 | C4 | H7 | 109.4° | 109.5° |
| H8 | C4 | H7 | 109.5° | 109.5° |
| H27 | C32 | H26 | 109.5° | 109.5° |
| H29 | C33 | H28 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 122.3° | 120.0° |
| C1 | C2 | C3 | O1 | 118.6° | 120.0° |
| C1 | C2 | C4 | O1 | 120.7° | 120.0° |
| C1 | C2 | O1 | C5 | 59.7° | 60.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 180.0° | 60.0° |
| C1 | C2 | C3 | H4 | 60.0° | 180.0° |
| C1 | C2 | C3 | H5 | 60.0° | 60.0° |
| C1 | C2 | C4 | H9 | 180.0° | 60.0° |
| C1 | C2 | C4 | H8 | 60.0° | 180.0° |
| C1 | C2 | C4 | H7 | 60.0° | 60.0° |
| C3 | C2 | C4 | O1 | 118.3° | 120.0° |
| C3 | C2 | O1 | C5 | 178.1° | 180.0° |
| C3 | C2 | C1 | H3 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 179.9° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C2 | C3 | H6 | H4 | 120.0° | 120.0° |
| C2 | C3 | H6 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | C2 | C4 | H9 | 59.0° | 60.0° |
| C3 | C2 | C4 | H8 | 179.0° | 60.0° |
| C3 | C2 | C4 | H7 | 61.0° | 180.0° |
| C4 | C2 | O1 | C5 | 62.2° | 60.0° |
| C4 | C2 | C1 | H3 | 58.4° | 60.0° |
| C4 | C2 | C1 | H2 | 178.4° | 60.0° |
| C4 | C2 | C1 | H1 | 61.6° | 180.0° |
| C4 | C2 | C3 | H6 | 57.7° | 180.0° |
| C4 | C2 | C3 | H4 | 62.3° | 60.0° |
| C4 | C2 | C3 | H5 | 177.7° | 60.0° |
| C2 | C4 | H9 | H8 | 120.0° | 120.0° |
| C2 | C4 | H9 | H7 | 120.0° | 120.0° |
| C2 | C4 | H8 | H7 | 120.0° | 120.0° |
| C2 | O1 | C5 | O2 | 0.3° | 0.0° |
| C2 | O1 | C5 | N1 | 179.7° | 180.0° |
| O1 | C2 | C1 | H3 | 62.3° | 180.0° |
| O1 | C2 | C1 | H2 | 57.7° | 60.0° |
| O1 | C2 | C1 | H1 | 177.7° | 60.0° |
| O1 | C2 | C3 | H6 | 61.4° | 60.0° |
| O1 | C2 | C3 | H4 | 178.6° | 60.0° |
| O1 | C2 | C3 | H5 | 58.6° | 180.0° |
| O1 | C2 | C4 | H9 | 59.2° | 180.0° |
| O1 | C2 | C4 | H8 | 60.7° | 60.0° |
| O1 | C2 | C4 | H7 | 179.2° | 60.0° |
| O1 | C5 | O2 | N1 | 179.9° | 180.0° |
| O1 | C5 | N1 | C6 | 0.8° | 180.0° |
| O1 | C5 | N1 | C33 | 178.7° | 0.0° |
| O2 | C5 | N1 | C6 | 179.3° | 0.0° |
| O2 | C5 | N1 | C33 | 1.2° | 180.0° |
| C5 | N1 | C6 | C33 | 179.6° | 180.0° |
| C5 | N1 | C6 | C7 | 121.4° | 126.4° |
| C5 | N1 | C33 | C32 | 119.7° | 126.4° |
| C5 | N1 | C6 | H11 | 118.4° | 113.8° |
| C5 | N1 | C6 | H10 | 1.2° | 6.6° |
| C5 | N1 | C33 | H29 | 120.2° | 113.8° |
| C5 | N1 | C33 | H28 | 0.4° | 6.6° |
| N1 | C6 | C7 | H11 | 120.2° | 119.8° |
| N1 | C6 | C7 | H10 | 120.2° | 119.9° |
| N1 | C6 | C7 | C8 | 52.0° | 54.6° |
| C6 | N1 | C33 | C32 | 59.9° | 53.7° |
| N1 | C6 | C7 | H13 | 172.6° | 174.6° |
| N1 | C6 | C7 | H12 | 68.6° | 65.3° |
| N1 | C6 | H11 | H10 | 119.4° | 120.5° |
| C6 | N1 | C33 | H29 | 60.2° | 66.2° |
| C6 | N1 | C33 | H28 | 180.0° | 173.4° |
| C6 | C7 | C8 | H13 | 120.6° | 120.0° |
| C6 | C7 | C8 | H12 | 120.6° | 119.9° |
| C6 | C7 | C8 | C9 | 79.3° | 178.6° |
| C6 | C7 | C8 | C32 | 48.2° | 61.3° |
| C7 | C6 | N1 | C33 | 58.1° | 53.7° |
| C6 | C7 | H13 | H12 | 118.2° | 120.1° |
| C6 | C7 | C8 | H14 | 163.5° | 58.7° |
| C7 | C6 | H11 | H10 | 119.4° | 120.2° |
| C7 | C8 | C9 | C32 | 126.1° | 120.1° |
| C7 | C8 | C9 | H14 | 117.1° | 119.9° |
| C7 | C8 | C9 | O3 | 153.1° | 174.8° |
| C7 | C8 | C32 | H14 | 115.3° | 120.0° |
| C7 | C8 | C32 | C33 | 49.9° | 61.4° |
| C8 | C7 | H13 | H12 | 118.2° | 120.0° |
| C7 | C8 | C9 | H16 | 87.1° | 65.2° |
| C7 | C8 | C9 | H15 | 33.2° | 54.8° |
| C8 | C7 | C6 | H11 | 68.2° | 65.2° |
| C8 | C7 | C6 | H10 | 172.2° | 174.6° |
| C7 | C8 | C32 | H27 | 170.4° | 58.6° |
| C7 | C8 | C32 | H26 | 70.6° | 178.7° |
| C8 | C9 | O3 | H16 | 119.8° | 120.0° |
| C8 | C9 | O3 | H15 | 119.9° | 120.0° |
| C8 | C9 | O3 | C10 | 138.3° | 175.4° |
| C9 | C8 | C32 | H14 | 116.9° | 120.0° |
| C9 | C8 | C32 | C33 | 78.0° | 178.6° |
| C9 | C8 | C7 | H13 | 41.3° | 58.6° |
| C9 | C8 | C7 | H12 | 160.1° | 61.5° |
| C8 | C9 | H16 | H15 | 120.5° | 120.0° |
| C9 | C8 | C32 | H27 | 42.5° | 61.4° |
| C9 | C8 | C32 | H26 | 161.6° | 58.7° |
| C9 | O3 | C10 | C11 | 73.2° | 5.0° |
| O3 | C9 | C8 | C32 | 80.8° | 65.1° |
| C9 | O3 | C10 | C16 | 104.8° | 174.5° |
| O3 | C9 | C8 | H14 | 36.0° | 54.9° |
| O3 | C9 | H16 | H15 | 120.4° | 120.0° |
| O3 | C10 | C11 | C16 | 178.1° | 179.5° |
| O3 | C10 | C11 | C12 | 179.1° | 180.0° |
| O3 | C10 | C16 | C15 | 179.1° | 180.0° |
| O3 | C10 | C16 | C17 | 7.4° | 0.2° |
| O3 | C10 | C11 | H17 | 0.8° | 0.3° |
| C10 | O3 | C9 | H16 | 101.8° | 64.6° |
| C10 | O3 | C9 | H15 | 18.5° | 55.4° |
| C10 | C11 | C12 | H17 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 178.8° | 179.7° |
| C10 | C11 | C12 | C14 | 0.9° | 0.3° |
| C11 | C10 | C16 | C15 | 2.9° | 0.6° |
| C11 | C10 | C16 | C17 | 174.5° | 179.7° |
| C11 | C12 | C13 | C14 | 178.0° | 180.0° |
| C11 | C12 | C13 | O4 | 163.3° | 0.1° |
| C11 | C12 | C13 | O5 | 12.1° | 180.0° |
| C11 | C12 | C14 | C15 | 0.9° | 0.0° |
| C12 | C11 | C10 | C16 | 1.1° | 0.6° |
| C11 | C12 | C14 | H18 | 179.1° | 180.0° |
| C12 | C13 | O4 | O5 | 175.0° | 179.9° |
| C13 | C12 | C14 | C15 | 178.8° | 180.0° |
| C13 | C12 | C11 | H17 | 1.2° | 0.0° |
| C13 | C12 | C14 | H18 | 1.2° | 0.0° |
| C12 | C13 | O5 | H30 | 175.0° | 180.0° |
| O4 | C13 | C12 | C14 | 14.7° | 180.0° |
| O4 | C13 | O5 | H30 | 0.0° | 0.0° |
| O5 | C13 | C12 | C14 | 170.0° | 0.0° |
| C12 | C14 | C15 | H18 | 180.0° | 180.0° |
| C12 | C14 | C15 | C16 | 1.1° | 0.0° |
| C14 | C12 | C11 | H17 | 179.2° | 180.0° |
| C12 | C14 | C15 | H19 | 178.9° | 180.0° |
| C14 | C15 | C16 | H19 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 175.1° | 180.0° |
| C14 | C15 | C16 | C10 | 2.9° | 0.3° |
| C15 | C16 | C17 | C10 | 171.7° | 179.7° |
| C15 | C16 | C17 | N2 | 35.4° | 131.7° |
| C15 | C16 | C17 | C31 | 134.0° | 48.2° |
| C16 | C15 | C14 | H18 | 178.9° | 180.0° |
| C16 | C17 | N2 | C31 | 171.5° | 179.9° |
| C16 | C17 | N2 | N3 | 175.8° | 180.0° |
| C16 | C17 | C31 | C30 | 7.7° | 0.1° |
| C16 | C17 | C31 | C26 | 173.5° | 180.0° |
| C17 | C16 | C15 | H19 | 4.9° | 0.0° |
| C17 | N2 | N3 | C18 | 179.3° | 180.0° |
| C17 | N2 | N3 | C26 | 3.7° | 0.0° |
| N2 | C17 | C31 | C30 | 177.9° | 180.0° |
| N2 | C17 | C16 | C10 | 152.8° | 48.0° |
| N2 | C17 | C31 | C26 | 3.3° | 0.1° |
| N2 | N3 | C18 | C26 | 176.5° | 180.0° |
| N2 | N3 | C18 | O6 | 160.7° | 95.0° |
| N2 | N3 | C18 | C19 | 22.3° | 84.9° |
| N2 | N3 | C26 | C27 | 178.5° | 180.0° |
| N3 | N2 | C17 | C31 | 4.3° | 0.1° |
| N2 | N3 | C26 | C31 | 1.6° | 0.0° |
| N3 | C18 | O6 | C19 | 176.8° | 180.0° |
| N3 | C18 | C19 | C20 | 61.1° | 4.0° |
| C18 | N3 | C26 | C27 | 1.6° | 0.0° |
| N3 | C18 | C19 | C24 | 119.6° | 176.1° |
| C18 | N3 | C26 | C31 | 178.5° | 180.0° |
| O6 | C18 | C19 | C20 | 115.7° | 176.0° |
| O6 | C18 | N3 | C26 | 22.7° | 85.0° |
| O6 | C18 | C19 | C24 | 63.6° | 4.0° |
| C18 | C19 | C20 | C24 | 179.3° | 180.0° |
| C18 | C19 | C20 | CL1 | 0.7° | 0.1° |
| C18 | C19 | C20 | C21 | 179.0° | 179.7° |
| C18 | C19 | C24 | C23 | 179.0° | 180.0° |
| C18 | C19 | C24 | C25 | 1.0° | 0.3° |
| C19 | C18 | N3 | C26 | 154.3° | 95.1° |
| C19 | C20 | CL1 | C21 | 179.7° | 179.8° |
| C19 | C20 | C21 | C22 | 0.5° | 0.2° |
| C20 | C19 | C24 | C23 | 0.3° | 0.0° |
| C20 | C19 | C24 | C25 | 179.7° | 179.8° |
| C19 | C20 | C21 | H20 | 179.5° | 179.8° |
| CL1 | C20 | C21 | C22 | 179.8° | 180.0° |
| CL1 | C20 | C19 | C24 | 180.0° | 180.0° |
| CL1 | C20 | C21 | H20 | 0.2° | 0.0° |
| C20 | C21 | C22 | H20 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C21 | C20 | C19 | C24 | 0.3° | 0.2° |
| C20 | C21 | C22 | H21 | 179.4° | 180.0° |
| C21 | C22 | C23 | H21 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.6° | 0.3° |
| C21 | C22 | C23 | H22 | 179.4° | 179.7° |
| C22 | C23 | C24 | H22 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 179.6° | 180.0° |
| C22 | C23 | C24 | C19 | 0.4° | 0.3° |
| C23 | C22 | C21 | H20 | 179.4° | 180.0° |
| C23 | C24 | C25 | C19 | 180.0° | 179.8° |
| C23 | C24 | C25 | F1 | 141.4° | 0.0° |
| C23 | C24 | C25 | F2 | 97.6° | 120.0° |
| C23 | C24 | C25 | F3 | 23.2° | 120.0° |
| C24 | C23 | C22 | H21 | 179.4° | 179.8° |
| C24 | C25 | F1 | F2 | 124.9° | 120.0° |
| C24 | C25 | F1 | F3 | 123.0° | 120.0° |
| C24 | C25 | F2 | F3 | 124.4° | 120.0° |
| C25 | C24 | C23 | H22 | 0.4° | 0.0° |
| F1 | C25 | F2 | F3 | 110.9° | 120.0° |
| F1 | C25 | C24 | C19 | 38.6° | 179.7° |
| F2 | C25 | C24 | C19 | 82.4° | 60.3° |
| F3 | C25 | C24 | C19 | 156.8° | 59.8° |
| N3 | C26 | C27 | C31 | 179.9° | 179.9° |
| N3 | C26 | C27 | C28 | 178.5° | 179.9° |
| N3 | C26 | C31 | C30 | 179.9° | 180.0° |
| N3 | C26 | C31 | C17 | 1.0° | 0.1° |
| N3 | C26 | C27 | H23 | 1.5° | 0.3° |
| C26 | C27 | C28 | H23 | 180.0° | 179.6° |
| C26 | C27 | C28 | C29 | 2.0° | 0.4° |
| C27 | C26 | C31 | C30 | 0.0° | 0.0° |
| C27 | C26 | C31 | C17 | 179.0° | 180.0° |
| C26 | C27 | C28 | H24 | 178.0° | 179.7° |
| C27 | C28 | C29 | H24 | 180.0° | 179.9° |
| C27 | C28 | C29 | CL2 | 179.0° | 179.9° |
| C27 | C28 | C29 | C30 | 1.0° | 0.7° |
| C28 | C27 | C26 | C31 | 1.6° | 0.0° |
| C28 | C29 | CL2 | C30 | 180.0° | 179.4° |
| C28 | C29 | C30 | C31 | 0.6° | 0.6° |
| C29 | C28 | C27 | H23 | 177.9° | 180.0° |
| C28 | C29 | C30 | H25 | 179.4° | 179.4° |
| CL2 | C29 | C30 | C31 | 179.4° | 180.0° |
| CL2 | C29 | C28 | H24 | 1.0° | 0.1° |
| CL2 | C29 | C30 | H25 | 0.6° | 0.0° |
| C29 | C30 | C31 | H25 | 180.0° | 179.9° |
| C29 | C30 | C31 | C17 | 179.7° | 179.7° |
| C29 | C30 | C31 | C26 | 1.0° | 0.2° |
| C30 | C29 | C28 | H24 | 179.0° | 179.5° |
| C30 | C31 | C17 | C26 | 178.8° | 179.9° |
| C8 | C32 | C33 | H27 | 120.5° | 120.0° |
| C8 | C32 | C33 | H26 | 120.5° | 119.9° |
| C8 | C32 | C33 | N1 | 55.5° | 54.7° |
| C32 | C8 | C7 | H13 | 168.8° | 178.7° |
| C32 | C8 | C7 | H12 | 72.4° | 58.6° |
| C32 | C8 | C9 | H16 | 39.0° | 54.9° |
| C32 | C8 | C9 | H15 | 159.4° | 174.9° |
| C8 | C32 | H27 | H26 | 118.6° | 120.1° |
| C8 | C32 | C33 | H29 | 64.6° | 65.2° |
| C8 | C32 | C33 | H28 | 175.6° | 174.4° |
| C32 | C33 | N1 | H29 | 120.1° | 119.8° |
| C32 | C33 | N1 | H28 | 120.1° | 119.8° |
| C33 | C32 | C8 | H14 | 165.2° | 58.6° |
| C33 | C32 | H27 | H26 | 118.6° | 120.0° |
| C32 | C33 | H29 | H28 | 119.8° | 120.4° |
| C33 | N1 | C6 | H11 | 62.1° | 66.1° |
| C33 | N1 | C6 | H10 | 178.3° | 173.5° |
| N1 | C33 | C32 | H27 | 176.0° | 65.3° |
| N1 | C33 | C32 | H26 | 64.9° | 174.6° |
| N1 | C33 | H29 | H28 | 119.8° | 120.3° |
| C10 | C16 | C17 | C31 | 37.7° | 132.1° |
| C16 | C10 | C11 | H17 | 178.9° | 179.7° |
| C10 | C16 | C15 | H19 | 177.0° | 179.8° |
| C17 | C31 | C30 | H25 | 0.3° | 0.4° |
| C19 | C24 | C23 | H22 | 179.6° | 179.7° |
| C31 | C26 | C27 | H23 | 178.4° | 179.7° |
| C26 | C31 | C30 | H25 | 179.0° | 179.7° |
| H23 | C27 | C28 | H24 | 2.0° | 0.1° |
| H18 | C14 | C15 | H19 | 1.1° | 0.0° |
| H20 | C21 | C22 | H21 | 0.6° | 0.0° |
| H22 | C23 | C22 | H21 | 0.6° | 0.2° |
| H13 | C7 | C8 | H14 | 75.9° | 61.3° |
| H13 | C7 | C6 | H11 | 52.4° | 54.7° |
| H13 | C7 | C6 | H10 | 67.2° | 65.5° |
| H12 | C7 | C8 | H14 | 42.9° | 178.6° |
| H12 | C7 | C6 | H11 | 171.2° | 174.9° |
| H12 | C7 | C6 | H10 | 51.6° | 54.7° |
| H14 | C8 | C9 | H16 | 155.8° | 174.9° |
| H14 | C8 | C9 | H15 | 83.9° | 65.1° |
| H14 | C8 | C32 | H27 | 74.4° | 178.6° |
| H14 | C8 | C32 | H26 | 44.7° | 61.3° |
| H3 | C1 | H2 | H1 | 120.0° | 120.0° |
| H6 | C3 | H4 | H5 | 120.0° | 120.0° |
| H9 | C4 | H8 | H7 | 120.0° | 120.0° |
| H27 | C32 | C33 | H29 | 55.9° | 174.9° |
| H27 | C32 | C33 | H28 | 63.9° | 54.5° |
| H26 | C32 | C33 | H29 | 175.0° | 54.8° |
| H26 | C32 | C33 | H28 | 55.1° | 65.6° |
