29I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.45Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | N2 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C17 | doub | 1.22Å | 1.21Å | |
| N1 | C8 | doub | 1.31Å | 1.32Å | Aromatic |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| N2 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| N2 | C15 | sing | 1.46Å | 1.47Å | |
| C17 | N3 | sing | 1.35Å | 1.34Å | |
| C17 | O3 | sing | 1.35Å | 1.35Å | |
| C8 | C9 | sing | 1.48Å | 1.47Å | |
| C15 | C25 | sing | 1.51Å | 1.52Å | |
| C31 | O5 | sing | 1.43Å | 1.43Å | |
| C32 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | O3 | sing | 1.45Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| O5 | C30 | sing | 1.36Å | 1.37Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | O4 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | O1 | sing | 1.36Å | 1.36Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| O4 | C29 | sing | 1.43Å | 1.43Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | BR | sing | 1.89Å | 1.89Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.08Å | 1.08Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å | |
| C7 | H27 | sing | 1.08Å | 1.08Å | |
| N | H28 | sing | 0.97Å | 1.00Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 122.1° | 120.0° |
| C | N | H28 | 119.0° | 120.0° |
| N | C | H29 | 109.5° | 109.5° |
| N | C | H30 | 109.5° | 109.4° |
| N | C | H31 | 109.5° | 109.5° |
| N | C1 | O | 122.4° | 120.0° |
| N | C1 | C2 | 117.0° | 120.0° |
| C1 | N | H28 | 119.0° | 120.0° |
| O | C1 | C2 | 120.6° | 120.0° |
| C1 | C2 | C3 | 119.9° | 119.9° |
| C1 | C2 | C7 | 119.8° | 119.9° |
| C3 | C2 | C7 | 120.4° | 120.2° |
| C2 | C3 | C4 | 121.1° | 120.4° |
| C2 | C3 | H3 | 119.5° | 119.8° |
| C2 | C7 | C6 | 119.0° | 119.5° |
| C2 | C7 | H27 | 120.5° | 120.2° |
| C3 | C4 | C5 | 117.8° | 120.2° |
| C4 | C3 | H3 | 119.5° | 119.8° |
| C3 | C4 | H25 | 121.1° | 119.9° |
| C7 | C6 | C5 | 119.4° | 119.5° |
| C7 | C6 | N1 | 130.2° | 133.3° |
| C6 | C7 | H27 | 120.5° | 120.3° |
| C4 | C5 | C6 | 122.3° | 120.2° |
| C4 | C5 | N2 | 132.4° | 133.7° |
| C5 | C4 | H25 | 121.1° | 119.9° |
| C5 | C6 | N1 | 110.4° | 107.2° |
| C6 | C5 | N2 | 105.2° | 106.1° |
| C6 | N1 | C8 | 105.0° | 109.6° |
| C5 | N2 | C8 | 106.6° | 107.3° |
| C5 | N2 | C15 | 125.1° | 126.4° |
| O2 | C17 | N3 | 125.0° | 120.0° |
| O2 | C17 | O3 | 124.3° | 120.0° |
| N1 | C8 | N2 | 112.8° | 109.8° |
| N1 | C8 | C9 | 122.8° | 125.1° |
| N3 | C16 | C15 | 113.7° | 109.5° |
| C16 | N3 | C17 | 121.8° | 120.0° |
| N3 | C16 | H9 | 108.4° | 109.4° |
| N3 | C16 | H10 | 108.4° | 109.5° |
| C16 | N3 | H19 | 119.1° | 120.0° |
| C16 | C15 | N2 | 110.9° | 109.5° |
| C16 | C15 | C25 | 118.7° | 109.5° |
| C15 | C16 | H9 | 108.4° | 109.5° |
| C15 | C16 | H10 | 108.4° | 109.5° |
| C16 | C15 | H20 | 104.8° | 109.5° |
| C8 | N2 | C15 | 128.1° | 126.4° |
| N2 | C8 | C9 | 124.4° | 125.1° |
| N2 | C15 | C25 | 110.8° | 109.5° |
| N2 | C15 | H20 | 105.5° | 109.5° |
| N3 | C17 | O3 | 110.7° | 120.0° |
| C17 | N3 | H19 | 119.1° | 120.0° |
| C17 | O3 | C18 | 115.6° | 117.0° |
| C8 | C9 | C14 | 120.5° | 120.1° |
| C8 | C9 | C10 | 119.8° | 120.1° |
| C15 | C25 | C32 | 121.7° | 119.9° |
| C15 | C25 | C26 | 119.3° | 119.9° |
| C25 | C15 | H20 | 105.0° | 109.5° |
| C31 | O5 | C30 | 117.9° | 117.0° |
| O5 | C31 | H22 | 109.5° | 109.4° |
| O5 | C31 | H23 | 109.5° | 109.4° |
| O5 | C31 | H24 | 109.5° | 109.5° |
| C25 | C32 | C30 | 120.5° | 120.0° |
| C32 | C25 | C26 | 119.0° | 120.1° |
| C25 | C32 | H21 | 119.8° | 120.0° |
| C32 | C30 | O5 | 124.6° | 120.0° |
| C32 | C30 | C28 | 119.9° | 119.9° |
| C30 | C32 | H21 | 119.7° | 120.0° |
| O3 | C18 | C19 | 109.1° | 109.5° |
| O3 | C18 | H4 | 109.6° | 109.5° |
| O3 | C18 | H5 | 109.5° | 109.5° |
| C18 | C19 | C24 | 120.7° | 120.0° |
| C18 | C19 | C20 | 120.6° | 120.0° |
| C19 | C18 | H4 | 109.6° | 109.5° |
| C19 | C18 | H5 | 109.5° | 109.5° |
| O5 | C30 | C28 | 115.5° | 120.1° |
| C25 | C26 | C27 | 121.4° | 120.2° |
| C25 | C26 | H17 | 119.3° | 119.9° |
| C30 | C28 | C27 | 119.5° | 119.8° |
| C30 | C28 | O4 | 115.1° | 120.1° |
| C14 | C9 | C10 | 119.6° | 119.8° |
| C9 | C14 | C13 | 120.3° | 119.8° |
| C9 | C14 | H2 | 119.8° | 120.1° |
| C9 | C10 | C11 | 120.6° | 120.0° |
| C9 | C10 | H8 | 119.7° | 120.0° |
| C14 | C13 | O1 | 120.7° | 120.0° |
| C14 | C13 | C12 | 118.9° | 120.0° |
| C13 | C14 | H2 | 119.8° | 120.1° |
| C19 | C24 | C23 | 120.7° | 120.0° |
| C24 | C19 | C20 | 118.7° | 120.0° |
| C19 | C24 | H11 | 119.7° | 120.0° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C23 | C24 | H11 | 119.6° | 120.0° |
| C24 | C23 | H16 | 119.9° | 120.1° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H7 | 119.7° | 120.0° |
| C26 | C27 | C28 | 119.5° | 120.0° |
| C26 | C27 | H15 | 120.2° | 120.0° |
| C27 | C26 | H17 | 119.3° | 119.9° |
| C27 | C28 | O4 | 125.3° | 120.1° |
| C28 | C27 | H15 | 120.2° | 120.0° |
| C28 | O4 | C29 | 118.3° | 117.0° |
| C10 | C11 | C12 | 119.2° | 120.2° |
| C10 | C11 | H1 | 120.4° | 119.9° |
| C11 | C10 | H8 | 119.7° | 120.0° |
| O1 | C13 | C12 | 120.4° | 120.0° |
| C13 | O1 | H26 | 109.5° | 114.0° |
| C13 | C12 | C11 | 121.4° | 120.2° |
| C13 | C12 | BR | 119.7° | 119.9° |
| O4 | C29 | H12 | 109.5° | 109.4° |
| O4 | C29 | H13 | 109.5° | 109.4° |
| O4 | C29 | H14 | 109.5° | 109.4° |
| C23 | C22 | C21 | 119.7° | 120.0° |
| C22 | C23 | H16 | 119.9° | 120.0° |
| C23 | C22 | H18 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C20 | C21 | H6 | 119.9° | 120.0° |
| C21 | C20 | H7 | 119.7° | 120.0° |
| C11 | C12 | BR | 118.9° | 119.9° |
| C12 | C11 | H1 | 120.4° | 119.9° |
| C22 | C21 | H6 | 119.9° | 120.0° |
| C21 | C22 | H18 | 120.1° | 120.0° |
| H4 | C18 | H5 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H12 | C29 | H14 | 109.4° | 109.5° |
| H13 | C29 | H14 | 109.5° | 109.5° |
| H22 | C31 | H23 | 109.4° | 109.5° |
| H22 | C31 | H24 | 109.4° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.4° |
| H29 | C | H30 | 109.4° | 109.5° |
| H29 | C | H31 | 109.4° | 109.4° |
| H30 | C | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H28 | 180.0° | 179.9° |
| C | N | C1 | O | 22.2° | 0.1° |
| C | N | C1 | C2 | 158.9° | 180.0° |
| N | C | H29 | H30 | 120.0° | 120.0° |
| N | C | H29 | H31 | 120.0° | 120.0° |
| N | C | H30 | H31 | 120.0° | 120.0° |
| N | C1 | O | C2 | 178.8° | 180.0° |
| N | C1 | C2 | C3 | 34.7° | 0.0° |
| N | C1 | C2 | C7 | 145.0° | 179.9° |
| C1 | N | C | H29 | 180.0° | 180.0° |
| C1 | N | C | H30 | 60.0° | 60.0° |
| C1 | N | C | H31 | 60.0° | 60.0° |
| O | C1 | C2 | C3 | 146.4° | 180.0° |
| O | C1 | C2 | C7 | 33.9° | 0.1° |
| O | C1 | N | H28 | 157.8° | 180.0° |
| C1 | C2 | C3 | C7 | 179.7° | 179.9° |
| C1 | C2 | C3 | C4 | 179.8° | 179.9° |
| C1 | C2 | C7 | C6 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 0.2° | 0.1° |
| C1 | C2 | C7 | H27 | 0.0° | 0.0° |
| C2 | C1 | N | H28 | 21.1° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | C7 | C6 | 0.3° | 0.1° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C2 | C3 | C4 | H25 | 179.7° | 180.0° |
| C3 | C2 | C7 | H27 | 179.7° | 179.9° |
| C7 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C7 | C6 | H27 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.0° |
| C2 | C7 | C6 | N1 | 178.3° | 180.0° |
| C7 | C2 | C3 | H3 | 179.9° | 179.9° |
| C3 | C4 | C5 | H25 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.3° |
| C3 | C4 | C5 | N2 | 176.7° | 180.0° |
| C7 | C6 | C5 | C4 | 0.5° | 0.2° |
| C7 | C6 | C5 | N1 | 178.5° | 180.0° |
| C7 | C6 | C5 | N2 | 177.4° | 180.0° |
| C7 | C6 | N1 | C8 | 177.7° | 179.9° |
| C4 | C5 | C6 | N2 | 178.0° | 179.8° |
| C4 | C5 | C6 | N1 | 179.1° | 179.8° |
| C4 | C5 | N2 | C8 | 178.8° | 179.9° |
| C4 | C5 | N2 | C15 | 3.0° | 0.1° |
| C5 | C4 | C3 | H3 | 179.7° | 179.9° |
| C5 | C6 | N1 | C8 | 0.7° | 0.1° |
| C6 | C5 | N2 | C8 | 1.1° | 0.1° |
| C6 | C5 | N2 | C15 | 174.7° | 179.9° |
| C6 | C5 | C4 | H25 | 179.4° | 179.9° |
| C5 | C6 | C7 | H27 | 179.9° | 180.0° |
| N1 | C6 | C5 | N2 | 1.1° | 0.0° |
| C6 | N1 | C8 | N2 | 0.0° | 0.2° |
| C6 | N1 | C8 | C9 | 179.4° | 180.0° |
| N1 | C6 | C7 | H27 | 1.7° | 0.0° |
| C5 | N2 | C8 | N1 | 0.7° | 0.2° |
| C5 | N2 | C15 | C16 | 67.2° | 2.3° |
| C5 | N2 | C8 | C15 | 175.6° | 180.0° |
| C5 | N2 | C8 | C9 | 180.0° | 180.0° |
| C5 | N2 | C15 | C25 | 66.8° | 117.7° |
| C5 | N2 | C15 | H20 | 179.9° | 122.3° |
| N2 | C5 | C4 | H25 | 3.3° | 0.1° |
| O2 | C17 | N3 | C16 | 1.1° | 0.0° |
| O2 | C17 | N3 | O3 | 179.3° | 180.0° |
| O2 | C17 | O3 | C18 | 11.5° | 0.0° |
| O2 | C17 | N3 | H19 | 178.8° | 180.0° |
| N1 | C8 | N2 | C9 | 179.3° | 179.8° |
| N1 | C8 | N2 | C15 | 174.9° | 179.8° |
| N1 | C8 | C9 | C14 | 128.3° | 33.4° |
| N1 | C8 | C9 | C10 | 51.3° | 146.9° |
| N3 | C16 | C15 | H9 | 120.6° | 120.0° |
| N3 | C16 | C15 | H10 | 120.6° | 120.0° |
| N3 | C16 | C15 | N2 | 158.5° | 177.6° |
| C16 | N3 | C17 | H19 | 180.0° | 180.0° |
| C16 | N3 | C17 | O3 | 179.6° | 180.0° |
| N3 | C16 | C15 | C25 | 71.6° | 62.4° |
| N3 | C16 | H9 | H10 | 118.1° | 120.0° |
| N3 | C16 | C15 | H20 | 45.1° | 57.6° |
| C16 | C15 | N2 | C8 | 118.0° | 177.7° |
| C16 | C15 | N2 | C25 | 134.0° | 120.0° |
| C16 | C15 | N2 | H20 | 113.0° | 120.0° |
| C15 | C16 | N3 | C17 | 121.7° | 180.0° |
| C16 | C15 | C25 | H20 | 116.6° | 120.0° |
| C16 | C15 | C25 | C32 | 8.3° | 115.2° |
| C16 | C15 | C25 | C26 | 170.0° | 64.2° |
| C15 | C16 | H9 | H10 | 118.1° | 120.0° |
| C15 | C16 | N3 | H19 | 58.3° | 0.0° |
| C8 | N2 | C15 | C25 | 108.1° | 62.3° |
| N2 | C8 | C9 | C14 | 52.5° | 146.8° |
| N2 | C8 | C9 | C10 | 127.9° | 32.9° |
| C8 | N2 | C15 | H20 | 5.0° | 57.7° |
| C15 | N2 | C8 | C9 | 4.4° | 0.0° |
| N2 | C15 | C25 | H20 | 113.4° | 120.0° |
| N2 | C15 | C25 | C32 | 121.7° | 124.8° |
| N2 | C15 | C25 | C26 | 60.0° | 55.8° |
| N2 | C15 | C16 | H9 | 80.9° | 62.4° |
| N2 | C15 | C16 | H10 | 37.9° | 57.6° |
| N3 | C17 | O3 | C18 | 167.8° | 180.0° |
| C17 | N3 | C16 | H9 | 1.1° | 60.0° |
| C17 | N3 | C16 | H10 | 117.7° | 60.0° |
| C17 | O3 | C18 | C19 | 166.8° | 180.0° |
| C17 | O3 | C18 | H4 | 73.2° | 60.0° |
| C17 | O3 | C18 | H5 | 46.9° | 60.0° |
| O3 | C17 | N3 | H19 | 0.5° | 0.0° |
| C8 | C9 | C14 | C10 | 179.6° | 179.7° |
| C8 | C9 | C14 | C13 | 179.5° | 180.0° |
| C8 | C9 | C10 | C11 | 179.1° | 179.7° |
| C8 | C9 | C14 | H2 | 0.5° | 0.0° |
| C8 | C9 | C10 | H8 | 0.9° | 0.3° |
| C15 | C25 | C32 | C26 | 178.3° | 179.5° |
| C15 | C25 | C32 | C30 | 175.2° | 179.7° |
| C15 | C25 | C26 | C27 | 176.4° | 180.0° |
| C25 | C15 | C16 | H9 | 49.0° | 57.6° |
| C25 | C15 | C16 | H10 | 167.8° | 177.6° |
| C15 | C25 | C26 | H17 | 3.6° | 0.0° |
| C15 | C25 | C32 | H21 | 4.8° | 0.5° |
| C31 | O5 | C30 | C32 | 33.7° | 1.6° |
| C31 | O5 | C30 | C28 | 145.5° | 177.9° |
| O5 | C31 | H22 | H23 | 120.0° | 120.0° |
| O5 | C31 | H22 | H24 | 120.0° | 120.0° |
| O5 | C31 | H23 | H24 | 120.0° | 120.0° |
| C25 | C32 | C30 | H21 | 180.0° | 179.2° |
| C25 | C32 | C30 | O5 | 177.0° | 180.0° |
| C25 | C32 | C30 | C28 | 2.2° | 0.5° |
| C32 | C25 | C26 | C27 | 2.0° | 0.6° |
| C32 | C25 | C26 | H17 | 178.0° | 179.5° |
| C32 | C25 | C15 | H20 | 124.9° | 4.8° |
| C32 | C30 | O5 | C28 | 179.2° | 179.5° |
| C30 | C32 | C25 | C26 | 3.2° | 0.8° |
| C32 | C30 | C28 | C27 | 0.1° | 0.0° |
| C32 | C30 | C28 | O4 | 177.3° | 179.8° |
| O3 | C18 | C19 | H4 | 120.0° | 120.0° |
| O3 | C18 | C19 | H5 | 119.9° | 120.0° |
| O3 | C18 | C19 | C24 | 99.4° | 90.3° |
| O3 | C18 | C19 | C20 | 81.7° | 90.0° |
| O3 | C18 | H4 | H5 | 120.2° | 120.0° |
| C18 | C19 | C24 | C20 | 178.9° | 179.7° |
| C18 | C19 | C24 | C23 | 178.6° | 179.7° |
| C18 | C19 | C20 | C21 | 178.5° | 180.0° |
| C19 | C18 | H4 | H5 | 120.2° | 120.0° |
| C18 | C19 | C20 | H7 | 1.5° | 0.1° |
| C18 | C19 | C24 | H11 | 1.4° | 0.3° |
| O5 | C30 | C28 | C27 | 179.3° | 179.5° |
| O5 | C30 | C28 | O4 | 1.9° | 0.3° |
| O5 | C30 | C32 | H21 | 3.0° | 0.8° |
| C30 | O5 | C31 | H22 | 180.0° | 175.5° |
| C30 | O5 | C31 | H23 | 60.0° | 55.5° |
| C30 | O5 | C31 | H24 | 60.0° | 64.5° |
| C25 | C26 | C27 | H17 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.1° |
| C25 | C26 | C27 | H15 | 179.7° | 179.9° |
| C26 | C25 | C15 | H20 | 53.4° | 175.8° |
| C26 | C25 | C32 | H21 | 176.8° | 180.0° |
| C30 | C28 | C27 | C26 | 1.3° | 0.2° |
| C30 | C28 | C27 | O4 | 177.1° | 179.8° |
| C30 | C28 | O4 | C29 | 155.4° | 179.8° |
| C30 | C28 | C27 | H15 | 178.7° | 179.8° |
| C28 | C30 | C32 | H21 | 177.8° | 179.7° |
| C9 | C14 | C13 | H2 | 180.0° | 179.9° |
| C14 | C9 | C10 | C11 | 0.4° | 0.0° |
| C9 | C14 | C13 | O1 | 179.4° | 180.0° |
| C9 | C14 | C13 | C12 | 0.3° | 0.6° |
| C14 | C9 | C10 | H8 | 179.5° | 180.0° |
| C10 | C9 | C14 | C13 | 0.1° | 0.3° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C9 | C10 | C11 | H1 | 179.6° | 179.7° |
| C10 | C9 | C14 | H2 | 179.9° | 179.7° |
| C14 | C13 | O1 | C12 | 179.7° | 179.4° |
| C14 | C13 | C12 | C11 | 0.4° | 0.6° |
| C14 | C13 | C12 | BR | 179.3° | 179.4° |
| C14 | C13 | O1 | H26 | 180.0° | 90.0° |
| C19 | C24 | C23 | H11 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.0° | 0.0° |
| C24 | C19 | C20 | C21 | 0.4° | 0.3° |
| C24 | C19 | C18 | H4 | 20.6° | 29.7° |
| C24 | C19 | C18 | H5 | 140.7° | 149.7° |
| C24 | C19 | C20 | H7 | 179.6° | 179.7° |
| C19 | C24 | C23 | H16 | 180.0° | 180.0° |
| C23 | C24 | C19 | C20 | 0.3° | 0.1° |
| C24 | C23 | C22 | H16 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.2° | 0.3° |
| C24 | C23 | C22 | H18 | 179.8° | 179.9° |
| C19 | C20 | C21 | H7 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.6° |
| C20 | C19 | C18 | H4 | 158.3° | 150.0° |
| C20 | C19 | C18 | H5 | 38.2° | 30.0° |
| C19 | C20 | C21 | H6 | 179.8° | 180.0° |
| C20 | C19 | C24 | H11 | 179.7° | 180.0° |
| C26 | C27 | C28 | H15 | 180.0° | 180.0° |
| C26 | C27 | C28 | O4 | 175.8° | 180.0° |
| C27 | C28 | O4 | C29 | 27.3° | 0.0° |
| C28 | C27 | C26 | H17 | 179.7° | 180.0° |
| C28 | O4 | C29 | H12 | 180.0° | 180.0° |
| C28 | O4 | C29 | H13 | 60.0° | 60.0° |
| C28 | O4 | C29 | H14 | 60.0° | 60.0° |
| O4 | C28 | C27 | H15 | 4.2° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C10 | C11 | C12 | H1 | 180.0° | 179.8° |
| C10 | C11 | C12 | BR | 179.6° | 179.7° |
| O1 | C13 | C12 | C11 | 179.3° | 180.0° |
| O1 | C13 | C12 | BR | 1.0° | 0.0° |
| O1 | C13 | C14 | H2 | 0.6° | 0.0° |
| C13 | C12 | C11 | BR | 179.7° | 180.0° |
| C13 | C12 | C11 | H1 | 179.9° | 180.0° |
| C12 | C13 | C14 | H2 | 179.7° | 179.4° |
| C12 | C13 | O1 | H26 | 0.3° | 90.6° |
| O4 | C29 | H12 | H13 | 120.0° | 120.0° |
| O4 | C29 | H12 | H14 | 120.0° | 119.9° |
| O4 | C29 | H13 | H14 | 120.0° | 120.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.5° |
| C23 | C22 | C21 | H18 | 180.0° | 179.8° |
| C23 | C22 | C21 | H6 | 179.9° | 180.0° |
| C22 | C23 | C24 | H11 | 180.0° | 180.0° |
| C20 | C21 | C22 | H6 | 180.0° | 179.5° |
| C20 | C21 | C22 | H18 | 179.9° | 179.7° |
| C12 | C11 | C10 | H8 | 179.6° | 180.0° |
| BR | C12 | C11 | H1 | 0.4° | 0.0° |
| C22 | C21 | C20 | H7 | 179.8° | 179.5° |
| C21 | C22 | C23 | H16 | 179.8° | 179.8° |
| H1 | C11 | C10 | H8 | 0.4° | 0.2° |
| H3 | C3 | C4 | H25 | 0.3° | 0.1° |
| H6 | C21 | C20 | H7 | 0.2° | 0.0° |
| H6 | C21 | C22 | H18 | 0.1° | 0.2° |
| H9 | C16 | N3 | H19 | 178.9° | 120.0° |
| H9 | C16 | C15 | H20 | 165.7° | 177.6° |
| H10 | C16 | N3 | H19 | 62.3° | 120.0° |
| H10 | C16 | C15 | H20 | 75.5° | 62.4° |
| H11 | C24 | C23 | H16 | 0.0° | 0.1° |
| H12 | C29 | H13 | H14 | 119.9° | 120.1° |
| H15 | C27 | C26 | H17 | 0.3° | 0.0° |
| H16 | C23 | C22 | H18 | 0.2° | 0.0° |
| H22 | C31 | H23 | H24 | 120.0° | 120.1° |
| H28 | N | C | H29 | 0.0° | 0.1° |
| H28 | N | C | H30 | 120.0° | 120.1° |
| H28 | N | C | H31 | 120.0° | 119.9° |
| H29 | C | H30 | H31 | 120.0° | 120.0° |
