A1AD4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | O6 | sing | 1.43Å | 1.48Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| O6 | C7 | sing | 1.36Å | 1.38Å | |
| C7 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C21 | sing | 1.53Å | 1.54Å | |
| C10 | C21 | sing | 1.50Å | 1.53Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C13 | sing | 1.50Å | 1.53Å | |
| C6 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| O8 | C32 | doub | 1.21Å | 1.21Å | |
| C11 | O2 | sing | 1.35Å | 1.39Å | |
| O1 | C4 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C32 | C31 | sing | 1.51Å | 1.50Å | |
| C32 | O9 | sing | 1.34Å | 1.31Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C31 | O7 | sing | 1.43Å | 1.43Å | |
| C4 | N1 | sing | 1.35Å | 1.36Å | |
| O2 | C12 | sing | 1.35Å | 1.39Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| O7 | C30 | sing | 1.36Å | 1.38Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C3 | C25 | sing | 1.51Å | 1.53Å | |
| C3 | N | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N | sing | 1.34Å | 1.35Å | |
| C2 | O | doub | 1.21Å | 1.21Å | |
| O10 | C29 | sing | 1.36Å | 1.37Å | |
| O10 | C33 | sing | 1.43Å | 1.44Å | |
| N | C34 | sing | 1.47Å | 1.47Å | |
| O3 | C19 | doub | 1.21Å | 1.21Å | |
| C16 | O5 | sing | 1.36Å | 1.39Å | |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | O4 | sing | 1.34Å | 1.30Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| O5 | C20 | sing | 1.43Å | 1.50Å | |
| C27 | N2 | sing | 1.48Å | 1.46Å | |
| N2 | O11 | doub | 1.22Å | 1.22Å | |
| N2 | O12 | sing | 1.22Å | 1.22Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| O9 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | O6 | C7 | 119.5° | 117.0° |
| O6 | C24 | H23 | 109.5° | 109.5° |
| O6 | C24 | H24 | 109.5° | 109.5° |
| O6 | C24 | H25 | 109.4° | 109.5° |
| C9 | C8 | C7 | 120.6° | 120.0° |
| C8 | C9 | C10 | 121.7° | 120.3° |
| C9 | C8 | H7 | 119.7° | 120.0° |
| C8 | C9 | H8 | 119.1° | 119.9° |
| C8 | C7 | O6 | 123.6° | 120.1° |
| C8 | C7 | C6 | 120.3° | 119.8° |
| C7 | C8 | H7 | 119.7° | 120.0° |
| C9 | C10 | C21 | 122.5° | 119.3° |
| C9 | C10 | C11 | 117.4° | 119.9° |
| C10 | C9 | H8 | 119.2° | 119.8° |
| O6 | C7 | C6 | 116.1° | 120.1° |
| C7 | C6 | C11 | 117.0° | 120.1° |
| C7 | C6 | C5 | 123.4° | 119.9° |
| C23 | C21 | C10 | 110.9° | 109.3° |
| C23 | C21 | C22 | 109.0° | 109.2° |
| C23 | C21 | C13 | 110.7° | 109.2° |
| C21 | C23 | H20 | 109.5° | 109.4° |
| C21 | C23 | H21 | 109.5° | 109.5° |
| C21 | C23 | H22 | 109.5° | 109.5° |
| C21 | C10 | C11 | 120.0° | 120.7° |
| C10 | C21 | C22 | 109.6° | 109.3° |
| C10 | C21 | C13 | 108.9° | 110.6° |
| C10 | C11 | C6 | 122.9° | 119.8° |
| C10 | C11 | O2 | 121.1° | 121.0° |
| C22 | C21 | C13 | 107.7° | 109.2° |
| C21 | C22 | H17 | 109.5° | 109.4° |
| C21 | C22 | H18 | 109.5° | 109.5° |
| C21 | C22 | H19 | 109.4° | 109.4° |
| C21 | C13 | C14 | 122.1° | 119.3° |
| C21 | C13 | C12 | 120.6° | 120.8° |
| C11 | C6 | C5 | 119.6° | 119.9° |
| C6 | C11 | O2 | 116.1° | 119.2° |
| C6 | C5 | C4 | 109.8° | 109.4° |
| C6 | C5 | H6 | 109.4° | 109.5° |
| C6 | C5 | H5 | 109.4° | 109.4° |
| O8 | C32 | C31 | 123.1° | 120.0° |
| O8 | C32 | O9 | 124.4° | 120.0° |
| C11 | O2 | C12 | 116.4° | 120.1° |
| O1 | C4 | C5 | 120.8° | 120.0° |
| O1 | C4 | N1 | 121.9° | 120.0° |
| C5 | C4 | N1 | 117.3° | 120.0° |
| C4 | C5 | H6 | 109.4° | 109.5° |
| C4 | C5 | H5 | 109.4° | 109.5° |
| C31 | C32 | O9 | 112.5° | 120.0° |
| C32 | C31 | O7 | 109.0° | 109.5° |
| C32 | C31 | H29 | 109.6° | 109.4° |
| C32 | C31 | H28 | 109.6° | 109.5° |
| C32 | O9 | H30 | 109.5° | 117.0° |
| C14 | C13 | C12 | 117.3° | 120.0° |
| C13 | C14 | C15 | 121.9° | 120.3° |
| C13 | C14 | H9 | 119.1° | 119.9° |
| C13 | C12 | O2 | 120.6° | 121.0° |
| C13 | C12 | C17 | 122.8° | 119.8° |
| C31 | O7 | C30 | 116.5° | 117.0° |
| O7 | C31 | H29 | 109.6° | 109.5° |
| O7 | C31 | H28 | 109.6° | 109.5° |
| C4 | N1 | C3 | 121.0° | 127.0° |
| C4 | N1 | C1 | 124.6° | 127.0° |
| O2 | C12 | C17 | 116.6° | 119.2° |
| C14 | C15 | C16 | 120.8° | 119.9° |
| C15 | C14 | H9 | 119.0° | 119.8° |
| C14 | C15 | H10 | 119.6° | 120.0° |
| C12 | C17 | C16 | 117.4° | 120.1° |
| C12 | C17 | C18 | 119.6° | 120.0° |
| O7 | C30 | C25 | 119.4° | 120.1° |
| O7 | C30 | C29 | 119.8° | 120.1° |
| C3 | N1 | C1 | 112.2° | 105.9° |
| N1 | C3 | C25 | 113.8° | 109.8° |
| N1 | C3 | N | 102.6° | 108.1° |
| N1 | C3 | H4 | 109.1° | 109.7° |
| N1 | C1 | C2 | 102.0° | 106.6° |
| N1 | C1 | C | 112.5° | 110.1° |
| N1 | C1 | H3 | 111.0° | 110.0° |
| C25 | C3 | N | 114.0° | 109.8° |
| C3 | C25 | C30 | 122.0° | 120.0° |
| C3 | C25 | C26 | 119.2° | 120.0° |
| C25 | C3 | H4 | 108.2° | 109.7° |
| C3 | N | C2 | 112.9° | 110.3° |
| C3 | N | C34 | 120.2° | 124.9° |
| N | C3 | H4 | 109.0° | 109.7° |
| C2 | C1 | C | 110.6° | 110.1° |
| C1 | C2 | N | 108.9° | 109.2° |
| C1 | C2 | O | 125.3° | 125.4° |
| C2 | C1 | H3 | 110.2° | 110.1° |
| C | C1 | H3 | 110.2° | 110.1° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H1 | 109.4° | 109.5° |
| C15 | C16 | C17 | 119.9° | 119.9° |
| C15 | C16 | O5 | 123.8° | 120.0° |
| C16 | C15 | H10 | 119.6° | 120.0° |
| C25 | C30 | C29 | 120.7° | 119.8° |
| C30 | C25 | C26 | 118.8° | 120.0° |
| C30 | C29 | O10 | 115.5° | 120.0° |
| C30 | C29 | C28 | 120.1° | 119.9° |
| C16 | C17 | C18 | 123.0° | 120.0° |
| C17 | C16 | O5 | 116.3° | 120.1° |
| C17 | C18 | C19 | 114.0° | 109.5° |
| C17 | C18 | H11 | 108.3° | 109.5° |
| C17 | C18 | H12 | 108.3° | 109.4° |
| C25 | C26 | C27 | 119.3° | 120.2° |
| C25 | C26 | H26 | 120.3° | 119.9° |
| N | C2 | O | 125.8° | 125.4° |
| C2 | N | C34 | 123.9° | 124.9° |
| C29 | O10 | C33 | 118.3° | 117.0° |
| O10 | C29 | C28 | 124.4° | 120.1° |
| O10 | C33 | H31 | 109.5° | 109.4° |
| O10 | C33 | H32 | 109.5° | 109.5° |
| O10 | C33 | H33 | 109.5° | 109.5° |
| N | C34 | H34 | 109.5° | 109.5° |
| N | C34 | H35 | 109.5° | 109.5° |
| N | C34 | H36 | 109.5° | 109.4° |
| O3 | C19 | C18 | 122.8° | 120.0° |
| O3 | C19 | O4 | 123.5° | 120.0° |
| C16 | O5 | C20 | 120.3° | 117.0° |
| C29 | C28 | C27 | 118.2° | 120.0° |
| C29 | C28 | H27 | 120.9° | 120.0° |
| C18 | C19 | O4 | 113.6° | 120.0° |
| C19 | C18 | H11 | 108.3° | 109.5° |
| C19 | C18 | H12 | 108.4° | 109.5° |
| C19 | O4 | H13 | 109.5° | 116.9° |
| C26 | C27 | C28 | 122.9° | 120.1° |
| C26 | C27 | N2 | 118.4° | 120.0° |
| C27 | C26 | H26 | 120.4° | 119.9° |
| C28 | C27 | N2 | 118.7° | 119.9° |
| C27 | C28 | H27 | 120.9° | 120.0° |
| O5 | C20 | H14 | 109.5° | 109.5° |
| O5 | C20 | H15 | 109.5° | 109.5° |
| O5 | C20 | H16 | 109.5° | 109.5° |
| C27 | N2 | O11 | 118.1° | 120.0° |
| C27 | N2 | O12 | 118.1° | 120.0° |
| O11 | N2 | O12 | 123.8° | 120.0° |
| H6 | C5 | H5 | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.4° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H16 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.4° | 109.5° |
| H17 | C22 | H18 | 109.4° | 109.6° |
| H17 | C22 | H19 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.4° | 109.4° |
| H20 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.4° |
| H23 | C24 | H25 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.4° |
| H29 | C31 | H28 | 109.5° | 109.5° |
| H31 | C33 | H32 | 109.5° | 109.4° |
| H31 | C33 | H33 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.4° | 109.5° |
| H34 | C34 | H35 | 109.5° | 109.5° |
| H34 | C34 | H36 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | O6 | C7 | C8 | 3.6° | 0.2° |
| C24 | O6 | C7 | C6 | 178.7° | 180.0° |
| O6 | C24 | H23 | H24 | 120.0° | 120.0° |
| O6 | C24 | H23 | H25 | 120.0° | 120.1° |
| O6 | C24 | H24 | H25 | 120.0° | 120.0° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C8 | C9 | C10 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | O6 | 176.3° | 179.7° |
| C9 | C8 | C7 | C6 | 1.3° | 0.1° |
| C8 | C9 | C10 | C21 | 176.7° | 180.0° |
| C8 | C9 | C10 | C11 | 0.9° | 0.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | O6 | C6 | 177.7° | 179.8° |
| C8 | C7 | C6 | C11 | 1.1° | 0.1° |
| C8 | C7 | C6 | C5 | 178.6° | 179.9° |
| C7 | C8 | C9 | H8 | 179.8° | 180.0° |
| C9 | C10 | C21 | C23 | 30.7° | 77.7° |
| C9 | C10 | C21 | C11 | 177.6° | 180.0° |
| C9 | C10 | C21 | C22 | 89.7° | 41.8° |
| C9 | C10 | C21 | C13 | 152.7° | 162.1° |
| C9 | C10 | C11 | C6 | 1.0° | 0.0° |
| C9 | C10 | C11 | O2 | 179.4° | 180.0° |
| C10 | C9 | C8 | H7 | 179.8° | 180.0° |
| O6 | C7 | C6 | C11 | 176.6° | 179.8° |
| O6 | C7 | C6 | C5 | 3.6° | 0.2° |
| O6 | C7 | C8 | H7 | 3.7° | 0.2° |
| C7 | O6 | C24 | H23 | 180.0° | 179.9° |
| C7 | O6 | C24 | H24 | 60.0° | 60.0° |
| C7 | O6 | C24 | H25 | 60.0° | 60.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.0° |
| C7 | C6 | C11 | C5 | 179.8° | 180.0° |
| C7 | C6 | C11 | O2 | 178.4° | 180.0° |
| C7 | C6 | C5 | C4 | 102.7° | 90.0° |
| C6 | C7 | C8 | H7 | 178.8° | 180.0° |
| C7 | C6 | C5 | H6 | 17.4° | 150.0° |
| C7 | C6 | C5 | H5 | 137.3° | 30.0° |
| C23 | C21 | C10 | C22 | 120.4° | 119.5° |
| C23 | C21 | C10 | C13 | 122.1° | 120.3° |
| C23 | C21 | C10 | C11 | 147.0° | 102.3° |
| C23 | C21 | C22 | C13 | 120.2° | 119.4° |
| C23 | C21 | C13 | C14 | 32.2° | 77.7° |
| C23 | C21 | C13 | C12 | 148.0° | 102.4° |
| C23 | C21 | C22 | H17 | 180.0° | 179.4° |
| C23 | C21 | C22 | H18 | 60.0° | 60.5° |
| C23 | C21 | C22 | H19 | 60.0° | 59.6° |
| C21 | C23 | H20 | H21 | 120.0° | 120.0° |
| C21 | C23 | H20 | H22 | 120.0° | 120.0° |
| C21 | C23 | H21 | H22 | 120.0° | 120.0° |
| C10 | C21 | C22 | C13 | 118.3° | 121.1° |
| C21 | C10 | C11 | C6 | 176.7° | 180.0° |
| C21 | C10 | C11 | O2 | 1.6° | 0.0° |
| C10 | C21 | C13 | C14 | 154.3° | 162.0° |
| C10 | C21 | C13 | C12 | 25.8° | 17.9° |
| C21 | C10 | C9 | H8 | 3.3° | 0.0° |
| C10 | C21 | C22 | H17 | 58.5° | 59.9° |
| C10 | C21 | C22 | H18 | 178.5° | 180.0° |
| C10 | C21 | C22 | H19 | 61.5° | 59.9° |
| C10 | C21 | C23 | H20 | 180.0° | 60.1° |
| C10 | C21 | C23 | H21 | 60.0° | 180.0° |
| C10 | C21 | C23 | H22 | 60.0° | 60.0° |
| C11 | C10 | C21 | C22 | 92.7° | 138.2° |
| C11 | C10 | C21 | C13 | 24.9° | 17.9° |
| C10 | C11 | C6 | O2 | 178.4° | 180.0° |
| C10 | C11 | C6 | C5 | 179.8° | 180.0° |
| C10 | C11 | O2 | C12 | 30.3° | 20.5° |
| C11 | C10 | C9 | H8 | 179.1° | 180.0° |
| C22 | C21 | C13 | C14 | 86.9° | 41.7° |
| C22 | C21 | C13 | C12 | 93.0° | 138.2° |
| C21 | C22 | H17 | H18 | 120.0° | 120.1° |
| C21 | C22 | H17 | H19 | 120.0° | 119.9° |
| C21 | C22 | H18 | H19 | 120.0° | 120.0° |
| C22 | C21 | C23 | H20 | 59.3° | 59.5° |
| C22 | C21 | C23 | H21 | 179.3° | 60.5° |
| C22 | C21 | C23 | H22 | 60.7° | 179.5° |
| C21 | C13 | C14 | C12 | 179.8° | 180.0° |
| C21 | C13 | C12 | O2 | 0.1° | 0.0° |
| C21 | C13 | C14 | C15 | 179.6° | 180.0° |
| C21 | C13 | C12 | C17 | 179.3° | 180.0° |
| C21 | C13 | C14 | H9 | 0.3° | 0.1° |
| C13 | C21 | C22 | H17 | 59.8° | 61.1° |
| C13 | C21 | C22 | H18 | 60.2° | 59.0° |
| C13 | C21 | C22 | H19 | 179.8° | 179.0° |
| C13 | C21 | C23 | H20 | 59.0° | 178.9° |
| C13 | C21 | C23 | H21 | 61.0° | 58.9° |
| C13 | C21 | C23 | H22 | 179.0° | 61.1° |
| C11 | C6 | C5 | C4 | 77.1° | 90.0° |
| C6 | C11 | O2 | C12 | 148.1° | 159.4° |
| C11 | C6 | C5 | H6 | 162.8° | 30.0° |
| C11 | C6 | C5 | H5 | 42.9° | 150.0° |
| C5 | C6 | C11 | O2 | 1.8° | 0.0° |
| C6 | C5 | C4 | O1 | 6.3° | 6.8° |
| C6 | C5 | C4 | H6 | 120.1° | 120.0° |
| C6 | C5 | C4 | H5 | 120.1° | 120.0° |
| C6 | C5 | C4 | N1 | 171.2° | 173.2° |
| C6 | C5 | H6 | H5 | 119.9° | 120.0° |
| O8 | C32 | C31 | O9 | 178.4° | 180.0° |
| O8 | C32 | C31 | O7 | 179.0° | 0.0° |
| O8 | C32 | C31 | H29 | 61.1° | 120.0° |
| O8 | C32 | C31 | H28 | 59.0° | 120.0° |
| O8 | C32 | O9 | H30 | 0.0° | 0.1° |
| C11 | O2 | C12 | C13 | 29.4° | 20.6° |
| C11 | O2 | C12 | C17 | 149.9° | 159.5° |
| O1 | C4 | C5 | N1 | 177.6° | 180.0° |
| O1 | C4 | N1 | C3 | 5.4° | 4.9° |
| O1 | C4 | N1 | C1 | 167.2° | 174.9° |
| O1 | C4 | C5 | H6 | 113.7° | 126.8° |
| O1 | C4 | C5 | H5 | 126.4° | 113.2° |
| C5 | C4 | N1 | C3 | 177.1° | 175.1° |
| C5 | C4 | N1 | C1 | 15.3° | 5.1° |
| C4 | C5 | H6 | H5 | 119.8° | 120.0° |
| C32 | C31 | O7 | H29 | 119.9° | 120.0° |
| C32 | C31 | O7 | H28 | 119.9° | 120.0° |
| C32 | C31 | O7 | C30 | 136.8° | 175.5° |
| C32 | C31 | H29 | H28 | 120.2° | 119.9° |
| C31 | C32 | O9 | H30 | 178.3° | 180.0° |
| O9 | C32 | C31 | O7 | 0.6° | 180.0° |
| O9 | C32 | C31 | H29 | 120.5° | 60.0° |
| O9 | C32 | C31 | H28 | 119.3° | 60.0° |
| C14 | C13 | C12 | O2 | 179.9° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 0.8° | 0.1° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H10 | 180.0° | 179.9° |
| C13 | C12 | O2 | C17 | 179.3° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.1° |
| C13 | C12 | C17 | C16 | 0.6° | 0.1° |
| C13 | C12 | C17 | C18 | 176.4° | 179.9° |
| C12 | C13 | C14 | H9 | 179.5° | 180.0° |
| C31 | O7 | C30 | C25 | 120.7° | 95.3° |
| C31 | O7 | C30 | C29 | 59.1° | 84.5° |
| O7 | C31 | H29 | H28 | 120.2° | 120.0° |
| C4 | N1 | C3 | C1 | 163.9° | 179.8° |
| C4 | N1 | C3 | C25 | 72.4° | 60.5° |
| C4 | N1 | C3 | N | 164.0° | 179.8° |
| C4 | N1 | C1 | C2 | 156.8° | 179.8° |
| C4 | N1 | C1 | C | 84.7° | 60.9° |
| C4 | N1 | C1 | H3 | 39.4° | 60.5° |
| N1 | C4 | C5 | H6 | 68.7° | 53.2° |
| N1 | C4 | C5 | H5 | 51.2° | 66.9° |
| C4 | N1 | C3 | H4 | 48.5° | 60.1° |
| O2 | C12 | C17 | C16 | 179.9° | 180.0° |
| O2 | C12 | C17 | C18 | 2.9° | 0.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | O5 | 178.5° | 180.0° |
| C12 | C17 | C16 | C15 | 0.0° | 0.0° |
| C12 | C17 | C16 | C18 | 176.9° | 180.0° |
| C12 | C17 | C16 | O5 | 178.9° | 180.0° |
| C12 | C17 | C18 | C19 | 111.1° | 90.0° |
| C12 | C17 | C18 | H11 | 128.2° | 150.0° |
| C12 | C17 | C18 | H12 | 9.6° | 30.0° |
| O7 | C30 | C25 | C3 | 2.3° | 0.0° |
| O7 | C30 | C25 | C29 | 179.9° | 179.8° |
| O7 | C30 | C25 | C26 | 179.3° | 179.7° |
| O7 | C30 | C29 | O10 | 2.0° | 0.1° |
| O7 | C30 | C29 | C28 | 180.0° | 179.7° |
| C30 | O7 | C31 | H29 | 103.3° | 64.5° |
| C30 | O7 | C31 | H28 | 16.9° | 55.5° |
| N1 | C3 | C25 | N | 117.2° | 118.7° |
| N1 | C3 | C25 | H4 | 121.4° | 120.7° |
| N1 | C3 | N | H4 | 115.5° | 119.6° |
| C3 | N1 | C1 | C2 | 6.4° | 0.1° |
| C3 | N1 | C1 | C | 112.1° | 119.2° |
| N1 | C3 | C25 | C30 | 136.6° | 87.3° |
| N1 | C3 | C25 | C26 | 45.0° | 92.4° |
| N1 | C3 | N | C2 | 7.9° | 0.0° |
| N1 | C3 | N | C34 | 169.2° | 180.0° |
| C3 | N1 | C1 | H3 | 123.8° | 119.3° |
| C1 | N1 | C3 | C25 | 123.7° | 119.6° |
| C1 | N1 | C3 | N | 0.2° | 0.1° |
| N1 | C1 | C2 | C | 119.9° | 119.3° |
| N1 | C1 | C2 | H3 | 118.0° | 119.2° |
| N1 | C1 | C | H3 | 124.5° | 121.4° |
| N1 | C1 | C2 | N | 11.2° | 0.0° |
| N1 | C1 | C2 | O | 170.4° | 180.0° |
| C1 | N1 | C3 | H4 | 115.4° | 119.7° |
| N1 | C1 | C | H2 | 180.0° | 52.4° |
| N1 | C1 | C | H | 60.0° | 172.4° |
| N1 | C1 | C | H1 | 60.0° | 67.6° |
| C25 | C3 | N | H4 | 121.0° | 120.7° |
| C3 | C25 | C30 | C26 | 178.4° | 179.7° |
| C3 | C25 | C30 | C29 | 177.9° | 179.8° |
| C25 | C3 | N | C2 | 131.4° | 119.7° |
| C25 | C3 | N | C34 | 67.3° | 60.3° |
| C3 | C25 | C26 | C27 | 178.0° | 180.0° |
| C3 | C25 | C26 | H26 | 2.0° | 0.1° |
| C3 | N | C2 | C1 | 12.4° | 0.0° |
| N | C3 | C25 | C30 | 106.2° | 154.0° |
| N | C3 | C25 | C26 | 72.2° | 26.2° |
| C3 | N | C2 | C34 | 160.5° | 180.0° |
| C3 | N | C2 | O | 169.1° | 180.0° |
| C3 | N | C34 | H34 | 180.0° | 95.2° |
| C3 | N | C34 | H35 | 60.0° | 144.8° |
| C3 | N | C34 | H36 | 60.0° | 24.8° |
| C2 | C1 | C | H3 | 122.1° | 121.5° |
| C1 | C2 | N | O | 178.5° | 180.0° |
| C1 | C2 | N | C34 | 172.9° | 180.0° |
| C2 | C1 | C | H2 | 66.6° | 64.7° |
| C2 | C1 | C | H | 173.3° | 55.2° |
| C2 | C1 | C | H1 | 53.4° | 175.3° |
| C | C1 | C2 | N | 108.7° | 119.3° |
| C | C1 | C2 | O | 69.8° | 60.8° |
| C1 | C | H2 | H | 120.0° | 119.9° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C15 | C16 | C17 | O5 | 178.9° | 180.0° |
| C15 | C16 | C17 | C18 | 176.9° | 180.0° |
| C15 | C16 | O5 | C20 | 3.3° | 0.0° |
| C16 | C15 | C14 | H9 | 180.0° | 179.9° |
| C25 | C30 | C29 | O10 | 177.9° | 179.7° |
| C25 | C30 | C29 | C28 | 0.1° | 0.5° |
| C30 | C25 | C26 | C27 | 0.4° | 0.2° |
| C30 | C25 | C3 | H4 | 15.2° | 33.4° |
| C30 | C25 | C26 | H26 | 179.6° | 179.8° |
| C29 | C30 | C25 | C26 | 0.5° | 0.5° |
| C30 | C29 | O10 | C28 | 177.9° | 179.7° |
| C30 | C29 | O10 | C33 | 171.5° | 179.7° |
| C30 | C29 | C28 | C27 | 0.9° | 0.3° |
| C30 | C29 | C28 | H27 | 179.1° | 179.8° |
| C16 | C17 | C18 | C19 | 65.8° | 90.0° |
| C17 | C16 | O5 | C20 | 177.8° | 179.9° |
| C17 | C16 | C15 | H10 | 179.7° | 180.0° |
| C16 | C17 | C18 | H11 | 54.9° | 30.0° |
| C16 | C17 | C18 | H12 | 173.5° | 150.0° |
| C17 | C18 | C19 | O3 | 20.0° | 0.1° |
| C18 | C17 | C16 | O5 | 2.0° | 0.0° |
| C17 | C18 | C19 | H11 | 120.7° | 120.0° |
| C17 | C18 | C19 | H12 | 120.7° | 120.0° |
| C17 | C18 | C19 | O4 | 157.6° | 180.0° |
| C17 | C18 | H11 | H12 | 117.9° | 120.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C25 | C26 | C27 | N2 | 178.9° | 180.0° |
| C26 | C25 | C3 | H4 | 166.4° | 146.9° |
| N | C2 | C1 | H3 | 129.2° | 119.2° |
| C2 | N | C3 | H4 | 107.6° | 119.7° |
| C2 | N | C34 | H34 | 20.9° | 84.9° |
| C2 | N | C34 | H35 | 140.9° | 35.2° |
| C2 | N | C34 | H36 | 99.2° | 155.2° |
| O | C2 | N | C34 | 8.7° | 0.0° |
| O | C2 | C1 | H3 | 52.3° | 60.8° |
| O10 | C29 | C28 | C27 | 176.9° | 180.0° |
| O10 | C29 | C28 | H27 | 3.1° | 0.1° |
| C29 | O10 | C33 | H31 | 180.0° | 60.0° |
| C29 | O10 | C33 | H32 | 60.0° | 60.0° |
| C29 | O10 | C33 | H33 | 60.0° | 180.0° |
| C33 | O10 | C29 | C28 | 10.6° | 0.0° |
| O10 | C33 | H31 | H32 | 120.0° | 120.0° |
| O10 | C33 | H31 | H33 | 120.0° | 120.0° |
| O10 | C33 | H32 | H33 | 120.0° | 120.1° |
| C34 | N | C3 | H4 | 53.7° | 60.4° |
| N | C34 | H34 | H35 | 120.0° | 120.0° |
| N | C34 | H34 | H36 | 120.0° | 120.0° |
| N | C34 | H35 | H36 | 120.0° | 120.0° |
| O3 | C19 | C18 | O4 | 177.6° | 179.9° |
| O3 | C19 | O4 | H13 | 0.0° | 0.1° |
| O3 | C19 | C18 | H11 | 140.7° | 120.0° |
| O3 | C19 | C18 | H12 | 100.7° | 120.0° |
| O5 | C16 | C15 | H10 | 1.5° | 0.0° |
| C16 | O5 | C20 | H14 | 180.0° | 180.0° |
| C16 | O5 | C20 | H15 | 60.0° | 60.0° |
| C16 | O5 | C20 | H16 | 60.0° | 60.0° |
| C29 | C28 | C27 | C26 | 1.0° | 0.0° |
| C29 | C28 | C27 | H27 | 180.0° | 179.9° |
| C29 | C28 | C27 | N2 | 178.2° | 180.0° |
| C18 | C19 | O4 | H13 | 177.6° | 180.0° |
| C19 | C18 | H11 | H12 | 117.9° | 120.0° |
| O4 | C19 | C18 | H11 | 36.9° | 60.0° |
| O4 | C19 | C18 | H12 | 81.8° | 60.0° |
| C26 | C27 | C28 | N2 | 179.2° | 180.0° |
| C26 | C27 | N2 | O11 | 0.6° | 0.1° |
| C26 | C27 | N2 | O12 | 177.7° | 180.0° |
| C26 | C27 | C28 | H27 | 178.9° | 179.9° |
| C28 | C27 | N2 | O11 | 179.9° | 180.0° |
| C28 | C27 | N2 | O12 | 1.5° | 0.1° |
| C28 | C27 | C26 | H26 | 179.6° | 180.0° |
| O5 | C20 | H14 | H15 | 120.0° | 120.1° |
| O5 | C20 | H14 | H16 | 120.0° | 120.0° |
| O5 | C20 | H15 | H16 | 120.0° | 120.0° |
| C27 | N2 | O11 | O12 | 178.2° | 179.9° |
| N2 | C27 | C26 | H26 | 1.1° | 0.1° |
| N2 | C27 | C28 | H27 | 1.8° | 0.1° |
| H7 | C8 | C9 | H8 | 0.2° | 0.1° |
| H3 | C1 | C | H2 | 55.5° | 173.8° |
| H3 | C1 | C | H | 64.5° | 66.3° |
| H3 | C1 | C | H1 | 175.5° | 53.8° |
| H2 | C | H | H1 | 120.0° | 120.0° |
| H9 | C14 | C15 | H10 | 0.0° | 0.0° |
| H14 | C20 | H15 | H16 | 120.0° | 119.9° |
| H17 | C22 | H18 | H19 | 120.0° | 120.0° |
| H20 | C23 | H21 | H22 | 120.0° | 120.1° |
| H23 | C24 | H24 | H25 | 120.0° | 120.0° |
| H31 | C33 | H32 | H33 | 120.0° | 120.0° |
| H34 | C34 | H35 | H36 | 120.0° | 120.0° |
