A1LVQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O2 | sing | 1.43Å | 1.42Å | |
| C8 | O1 | sing | 1.43Å | 1.42Å | |
| O2 | C4 | sing | 1.36Å | 1.37Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C6 | sing | 1.36Å | 1.37Å | |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N2 | sing | 1.40Å | 1.43Å | |
| O3 | C11 | doub | 1.22Å | 1.22Å | |
| N2 | C11 | sing | 1.35Å | 1.38Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| C11 | N1 | sing | 1.34Å | 1.38Å | |
| C12 | C9 | sing | 1.51Å | 1.49Å | |
| N1 | C23 | sing | 1.46Å | 1.48Å | |
| N1 | C10 | sing | 1.38Å | 1.39Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C13 | sing | 1.37Å | 1.45Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| C28 | N7 | sing | 1.40Å | 1.41Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| N7 | C31 | sing | 1.35Å | 1.35Å | |
| N4 | C14 | doub | 1.33Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | N5 | sing | 1.38Å | 1.36Å | |
| C31 | C32 | sing | 1.47Å | 1.51Å | |
| C31 | O5 | doub | 1.22Å | 1.22Å | |
| C32 | C34 | doub | 1.33Å | 1.50Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C18 | sing | 1.40Å | 1.39Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C19 | N6 | sing | 1.40Å | 1.41Å | |
| N6 | C21 | sing | 1.35Å | 1.35Å | |
| C21 | O4 | doub | 1.22Å | 1.24Å | |
| C21 | C22 | sing | 1.47Å | 1.48Å | |
| C22 | C33 | doub | 1.33Å | 1.31Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| N6 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| N7 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | O2 | C4 | 117.8° | 117.0° |
| O2 | C7 | H6 | 109.5° | 109.5° |
| O2 | C7 | H7 | 109.5° | 109.5° |
| O2 | C7 | H8 | 109.5° | 109.5° |
| C8 | O1 | C6 | 117.8° | 117.0° |
| O1 | C8 | H10 | 109.5° | 109.5° |
| O1 | C8 | H11 | 109.5° | 109.4° |
| O1 | C8 | H12 | 109.5° | 109.4° |
| O2 | C4 | C5 | 119.3° | 120.0° |
| O2 | C4 | C3 | 120.4° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.0° |
| C5 | C4 | C3 | 120.3° | 120.0° |
| C4 | C5 | H3 | 120.3° | 120.0° |
| C5 | C6 | O1 | 119.1° | 120.0° |
| C5 | C6 | C1 | 120.4° | 120.0° |
| C6 | C5 | H3 | 120.3° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C4 | C3 | H2 | 119.8° | 120.0° |
| O1 | C6 | C1 | 120.4° | 120.0° |
| C6 | C1 | C2 | 120.2° | 120.0° |
| C6 | C1 | H1 | 119.9° | 120.0° |
| C3 | C2 | C1 | 119.3° | 119.9° |
| C3 | C2 | N2 | 120.2° | 120.0° |
| C2 | C3 | H2 | 119.8° | 120.0° |
| C1 | C2 | N2 | 120.5° | 120.1° |
| C2 | C1 | H1 | 119.9° | 119.9° |
| C2 | N2 | C11 | 118.8° | 120.5° |
| C2 | N2 | C12 | 116.9° | 120.5° |
| O3 | C11 | N2 | 121.3° | 118.4° |
| O3 | C11 | N1 | 119.5° | 118.4° |
| C11 | N2 | C12 | 124.4° | 119.0° |
| N2 | C11 | N1 | 119.1° | 123.2° |
| N2 | C12 | C9 | 112.2° | 116.6° |
| N2 | C12 | H13 | 108.8° | 108.0° |
| N2 | C12 | H14 | 108.8° | 108.0° |
| C11 | N1 | C23 | 119.0° | 118.5° |
| C11 | N1 | C10 | 120.4° | 123.0° |
| C12 | C9 | C10 | 120.7° | 118.2° |
| C12 | C9 | C13 | 121.4° | 122.2° |
| C9 | C12 | H13 | 108.8° | 107.8° |
| C9 | C12 | H14 | 108.8° | 108.2° |
| C23 | N1 | C10 | 120.6° | 118.5° |
| N1 | C23 | C24 | 113.2° | 109.5° |
| N1 | C23 | H21 | 108.5° | 109.5° |
| N1 | C23 | H22 | 108.5° | 109.5° |
| N1 | C10 | C9 | 121.9° | 119.9° |
| N1 | C10 | N4 | 117.9° | 121.5° |
| C23 | C24 | C25 | 108.9° | 109.4° |
| C24 | C23 | H21 | 108.5° | 109.5° |
| C24 | C23 | H22 | 108.5° | 109.5° |
| C23 | C24 | H23 | 109.6° | 109.5° |
| C23 | C24 | H24 | 109.6° | 109.5° |
| C29 | C30 | C25 | 121.6° | 120.1° |
| C30 | C29 | C28 | 120.1° | 119.9° |
| C30 | C29 | H27 | 119.9° | 120.0° |
| C29 | C30 | H28 | 119.2° | 119.9° |
| C30 | C25 | C24 | 120.4° | 120.0° |
| C30 | C25 | C26 | 117.7° | 120.2° |
| C25 | C30 | H28 | 119.2° | 120.0° |
| C10 | C9 | C13 | 117.9° | 119.6° |
| C9 | C10 | N4 | 120.2° | 118.6° |
| C9 | C13 | N3 | 120.2° | 118.6° |
| C9 | C13 | H15 | 119.9° | 120.7° |
| C29 | C28 | N7 | 117.7° | 120.1° |
| C29 | C28 | C27 | 119.0° | 119.9° |
| C28 | C29 | H27 | 119.9° | 120.0° |
| C10 | N4 | C14 | 118.3° | 120.3° |
| C24 | C25 | C26 | 121.9° | 119.9° |
| C25 | C24 | H23 | 109.6° | 109.5° |
| C25 | C24 | H24 | 109.6° | 109.4° |
| C25 | C26 | C27 | 121.5° | 120.0° |
| C25 | C26 | H25 | 119.3° | 120.0° |
| C13 | N3 | C14 | 117.4° | 120.8° |
| N3 | C13 | H15 | 119.9° | 120.7° |
| N7 | C28 | C27 | 123.3° | 120.0° |
| C28 | N7 | C31 | 128.5° | 120.0° |
| C28 | N7 | H9 | 115.7° | 120.0° |
| C28 | C27 | C26 | 120.1° | 119.9° |
| C28 | C27 | H26 | 120.0° | 120.1° |
| N7 | C31 | C32 | 114.5° | 120.0° |
| N7 | C31 | O5 | 122.8° | 120.0° |
| C31 | N7 | H9 | 115.8° | 120.0° |
| N4 | C14 | N3 | 126.0° | 122.1° |
| N4 | C14 | N5 | 116.6° | 118.9° |
| C27 | C26 | H25 | 119.3° | 120.0° |
| C26 | C27 | H26 | 119.9° | 120.0° |
| N3 | C14 | N5 | 117.4° | 119.0° |
| C14 | N5 | C18 | 130.2° | 120.0° |
| C14 | N5 | H4 | 114.9° | 120.0° |
| C32 | C31 | O5 | 122.7° | 120.0° |
| C31 | C32 | C34 | 113.2° | 120.0° |
| C31 | C32 | H29 | 123.4° | 120.0° |
| C34 | C32 | H29 | 123.4° | 120.0° |
| C32 | C34 | H33 | 120.0° | 120.0° |
| C32 | C34 | H34 | 120.0° | 120.0° |
| C16 | C17 | C18 | 121.2° | 120.0° |
| C17 | C16 | C15 | 120.2° | 120.2° |
| C17 | C16 | H17 | 119.9° | 119.9° |
| C16 | C17 | H18 | 119.4° | 120.0° |
| C17 | C18 | N5 | 120.8° | 120.1° |
| C17 | C18 | C19 | 118.7° | 119.8° |
| C18 | C17 | H18 | 119.4° | 120.0° |
| C16 | C15 | C20 | 120.1° | 120.2° |
| C16 | C15 | H16 | 119.9° | 119.9° |
| C15 | C16 | H17 | 119.9° | 119.9° |
| N5 | C18 | C19 | 120.4° | 120.1° |
| C18 | N5 | H4 | 114.9° | 120.0° |
| C18 | C19 | C20 | 119.3° | 119.8° |
| C18 | C19 | N6 | 119.9° | 120.1° |
| C15 | C20 | C19 | 120.6° | 120.0° |
| C20 | C15 | H16 | 120.0° | 119.9° |
| C15 | C20 | H19 | 119.7° | 120.0° |
| C20 | C19 | N6 | 120.8° | 120.1° |
| C19 | C20 | H19 | 119.7° | 120.0° |
| C19 | N6 | C21 | 126.5° | 120.0° |
| C19 | N6 | H5 | 116.7° | 120.0° |
| N6 | C21 | O4 | 122.6° | 120.0° |
| N6 | C21 | C22 | 114.9° | 119.9° |
| C21 | N6 | H5 | 116.7° | 120.1° |
| O4 | C21 | C22 | 122.4° | 120.0° |
| C21 | C22 | C33 | 121.7° | 120.0° |
| C21 | C22 | H20 | 119.1° | 120.0° |
| C33 | C22 | H20 | 119.1° | 120.0° |
| C22 | C33 | H31 | 120.0° | 120.0° |
| C22 | C33 | H32 | 120.0° | 120.0° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H8 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.6° |
| H10 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 107.8° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H31 | C33 | H32 | 120.0° | 120.0° |
| H33 | C34 | H34 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | O2 | C4 | C5 | 1.8° | 0.0° |
| C7 | O2 | C4 | C3 | 178.1° | 180.0° |
| O2 | C7 | H6 | H7 | 120.0° | 120.0° |
| O2 | C7 | H6 | H8 | 120.0° | 120.0° |
| O2 | C7 | H7 | H8 | 120.0° | 120.0° |
| C8 | O1 | C6 | C5 | 4.3° | 0.0° |
| C8 | O1 | C6 | C1 | 175.3° | 179.6° |
| O1 | C8 | H10 | H11 | 120.0° | 120.0° |
| O1 | C8 | H10 | H12 | 120.0° | 120.0° |
| O1 | C8 | H11 | H12 | 120.0° | 119.9° |
| O2 | C4 | C5 | C3 | 179.9° | 179.9° |
| O2 | C4 | C5 | C6 | 179.9° | 179.8° |
| O2 | C4 | C3 | C2 | 179.9° | 180.0° |
| O2 | C4 | C3 | H2 | 0.1° | 0.1° |
| O2 | C4 | C5 | H3 | 0.1° | 0.0° |
| C4 | O2 | C7 | H6 | 180.0° | 180.0° |
| C4 | O2 | C7 | H7 | 60.0° | 60.0° |
| C4 | O2 | C7 | H8 | 60.0° | 60.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.8° |
| C4 | C5 | C6 | O1 | 179.8° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.4° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| C5 | C6 | O1 | C1 | 179.7° | 179.6° |
| C5 | C6 | C1 | C2 | 0.1° | 0.4° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | N2 | 179.7° | 179.9° |
| C3 | C4 | C5 | H3 | 179.8° | 179.9° |
| O1 | C6 | C1 | C2 | 179.7° | 180.0° |
| O1 | C6 | C1 | H1 | 0.2° | 0.2° |
| O1 | C6 | C5 | H3 | 0.2° | 0.2° |
| C6 | O1 | C8 | H10 | 180.0° | 180.0° |
| C6 | O1 | C8 | H11 | 60.0° | 59.9° |
| C6 | O1 | C8 | H12 | 60.0° | 60.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.2° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | N2 | 179.6° | 179.8° |
| C1 | C6 | C5 | H3 | 179.8° | 179.8° |
| C3 | C2 | C1 | N2 | 179.6° | 180.0° |
| C3 | C2 | N2 | C11 | 93.7° | 124.1° |
| C3 | C2 | N2 | C12 | 84.4° | 55.9° |
| C3 | C2 | C1 | H1 | 179.9° | 179.9° |
| C1 | C2 | N2 | C11 | 86.7° | 55.9° |
| C1 | C2 | N2 | C12 | 95.1° | 124.2° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | N2 | C11 | O3 | 13.0° | 0.0° |
| C2 | N2 | C11 | C12 | 178.0° | 180.0° |
| C2 | N2 | C11 | N1 | 163.5° | 180.0° |
| C2 | N2 | C12 | C9 | 167.4° | 179.7° |
| N2 | C2 | C1 | H1 | 0.3° | 0.1° |
| N2 | C2 | C3 | H2 | 0.3° | 0.0° |
| C2 | N2 | C12 | H13 | 72.2° | 58.2° |
| C2 | N2 | C12 | H14 | 47.0° | 58.2° |
| O3 | C11 | N2 | N1 | 176.5° | 180.0° |
| O3 | C11 | N2 | C12 | 169.0° | 180.0° |
| O3 | C11 | N1 | C23 | 9.5° | 0.0° |
| O3 | C11 | N1 | C10 | 173.3° | 179.7° |
| C11 | N2 | C12 | C9 | 10.6° | 0.2° |
| N2 | C11 | N1 | C23 | 167.0° | 180.0° |
| N2 | C11 | N1 | C10 | 10.2° | 0.3° |
| C11 | N2 | C12 | H13 | 109.8° | 121.8° |
| C11 | N2 | C12 | H14 | 131.0° | 121.8° |
| C12 | N2 | C11 | N1 | 14.6° | 0.0° |
| N2 | C12 | C9 | H13 | 120.4° | 121.6° |
| N2 | C12 | C9 | H14 | 120.4° | 121.9° |
| N2 | C12 | C9 | C10 | 3.1° | 0.2° |
| N2 | C12 | C9 | C13 | 176.2° | 179.8° |
| N2 | C12 | H13 | H14 | 118.7° | 116.5° |
| C11 | N1 | C23 | C10 | 177.3° | 179.7° |
| C11 | N1 | C23 | C24 | 102.0° | 90.3° |
| C11 | N1 | C10 | C9 | 3.2° | 0.3° |
| C11 | N1 | C10 | N4 | 177.0° | 179.7° |
| C11 | N1 | C23 | H21 | 137.5° | 29.7° |
| C11 | N1 | C23 | H22 | 18.6° | 149.7° |
| C12 | C9 | C10 | N1 | 0.2° | 0.1° |
| C12 | C9 | C10 | C13 | 179.3° | 180.0° |
| C12 | C9 | C10 | N4 | 179.6° | 180.0° |
| C12 | C9 | C13 | N3 | 179.7° | 180.0° |
| C9 | C12 | H13 | H14 | 118.8° | 116.7° |
| C12 | C9 | C13 | H15 | 0.3° | 0.0° |
| N1 | C23 | C24 | H21 | 120.6° | 120.0° |
| N1 | C23 | C24 | H22 | 120.6° | 120.1° |
| C23 | N1 | C10 | C9 | 174.0° | 180.0° |
| C23 | N1 | C10 | N4 | 5.8° | 0.0° |
| N1 | C23 | C24 | C25 | 176.7° | 180.0° |
| N1 | C23 | H21 | H22 | 118.3° | 120.0° |
| N1 | C23 | C24 | H23 | 63.4° | 60.0° |
| N1 | C23 | C24 | H24 | 56.8° | 60.0° |
| C10 | N1 | C23 | C24 | 80.8° | 90.0° |
| N1 | C10 | C9 | N4 | 179.8° | 179.9° |
| N1 | C10 | C9 | C13 | 179.5° | 179.9° |
| N1 | C10 | N4 | C14 | 178.9° | 179.9° |
| C10 | N1 | C23 | H21 | 39.8° | 150.0° |
| C10 | N1 | C23 | H22 | 158.7° | 30.0° |
| C23 | C24 | C25 | C30 | 15.7° | 90.3° |
| C23 | C24 | C25 | H23 | 119.9° | 120.0° |
| C23 | C24 | C25 | H24 | 119.9° | 120.0° |
| C23 | C24 | C25 | C26 | 163.5° | 90.1° |
| C24 | C23 | H21 | H22 | 118.3° | 120.0° |
| C23 | C24 | H23 | H24 | 120.3° | 120.0° |
| C29 | C30 | C25 | H28 | 180.0° | 179.5° |
| C30 | C29 | C28 | H27 | 180.0° | 179.8° |
| C29 | C30 | C25 | C24 | 179.7° | 179.8° |
| C29 | C30 | C25 | C26 | 0.5° | 0.6° |
| C30 | C29 | C28 | N7 | 179.5° | 179.8° |
| C30 | C29 | C28 | C27 | 0.8° | 0.3° |
| C25 | C30 | C29 | C28 | 0.2° | 0.5° |
| C30 | C25 | C24 | C26 | 179.2° | 179.7° |
| C30 | C25 | C26 | C27 | 0.5° | 0.3° |
| C30 | C25 | C24 | H23 | 104.2° | 149.7° |
| C30 | C25 | C24 | H24 | 135.6° | 29.7° |
| C30 | C25 | C26 | H25 | 179.5° | 179.8° |
| C25 | C30 | C29 | H27 | 179.8° | 179.7° |
| C10 | C9 | C13 | N3 | 0.4° | 0.0° |
| C9 | C10 | N4 | C14 | 0.8° | 0.0° |
| C10 | C9 | C12 | H13 | 117.3° | 121.9° |
| C10 | C9 | C12 | H14 | 123.5° | 121.7° |
| C10 | C9 | C13 | H15 | 179.6° | 180.0° |
| C13 | C9 | C10 | N4 | 0.3° | 0.0° |
| C9 | C13 | N3 | H15 | 180.0° | 180.0° |
| C9 | C13 | N3 | C14 | 1.1° | 0.0° |
| C13 | C9 | C12 | H13 | 63.4° | 58.2° |
| C13 | C9 | C12 | H14 | 55.8° | 58.3° |
| C29 | C28 | N7 | C27 | 178.6° | 179.9° |
| C29 | C28 | N7 | C31 | 174.6° | 34.5° |
| C29 | C28 | C27 | C26 | 0.8° | 0.1° |
| C29 | C28 | N7 | H9 | 5.4° | 145.5° |
| C29 | C28 | C27 | H26 | 179.2° | 180.0° |
| C28 | C29 | C30 | H28 | 179.8° | 180.0° |
| C10 | N4 | C14 | N3 | 1.6° | 0.1° |
| C10 | N4 | C14 | N5 | 179.5° | 180.0° |
| C24 | C25 | C26 | C27 | 179.7° | 180.0° |
| C25 | C24 | C23 | H21 | 56.1° | 60.0° |
| C25 | C24 | C23 | H22 | 62.8° | 60.0° |
| C25 | C24 | H23 | H24 | 120.2° | 120.0° |
| C24 | C25 | C26 | H25 | 0.3° | 0.1° |
| C24 | C25 | C30 | H28 | 0.3° | 0.3° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C25 | C26 | C27 | H25 | 180.0° | 179.9° |
| C26 | C25 | C24 | H23 | 76.6° | 29.9° |
| C26 | C25 | C24 | H24 | 43.6° | 150.0° |
| C25 | C26 | C27 | H26 | 179.9° | 180.0° |
| C26 | C25 | C30 | H28 | 179.5° | 179.9° |
| C13 | N3 | C14 | N4 | 1.8° | 0.0° |
| C13 | N3 | C14 | N5 | 179.6° | 180.0° |
| C28 | N7 | C31 | H9 | 180.0° | 180.0° |
| N7 | C28 | C27 | C26 | 179.3° | 180.0° |
| C28 | N7 | C31 | C32 | 73.7° | 174.3° |
| C28 | N7 | C31 | O5 | 106.7° | 5.7° |
| N7 | C28 | C27 | H26 | 0.7° | 0.1° |
| N7 | C28 | C29 | H27 | 0.5° | 0.0° |
| C27 | C28 | N7 | C31 | 4.0° | 145.4° |
| C28 | C27 | C26 | H26 | 180.0° | 179.9° |
| C27 | C28 | N7 | H9 | 176.0° | 34.6° |
| C28 | C27 | C26 | H25 | 179.9° | 180.0° |
| C27 | C28 | C29 | H27 | 179.2° | 180.0° |
| N7 | C31 | C32 | O5 | 179.6° | 180.0° |
| N7 | C31 | C32 | C34 | 125.3° | 180.0° |
| N7 | C31 | C32 | H29 | 54.8° | 0.0° |
| N4 | C14 | N3 | N5 | 177.8° | 180.0° |
| N4 | C14 | N5 | C18 | 21.4° | 174.3° |
| N4 | C14 | N5 | H4 | 158.6° | 5.7° |
| N3 | C14 | N5 | C18 | 160.6° | 5.8° |
| N3 | C14 | N5 | H4 | 19.4° | 174.2° |
| C14 | N3 | C13 | H15 | 178.9° | 180.0° |
| C14 | N5 | C18 | C17 | 25.2° | 34.0° |
| C14 | N5 | C18 | H4 | 180.0° | 180.0° |
| C14 | N5 | C18 | C19 | 152.4° | 146.0° |
| C31 | C32 | C34 | H29 | 180.0° | 179.9° |
| C32 | C31 | N7 | H9 | 106.3° | 5.7° |
| C31 | C32 | C34 | H33 | 180.0° | 180.0° |
| C31 | C32 | C34 | H34 | 0.0° | 0.0° |
| O5 | C31 | C32 | C34 | 54.3° | 0.0° |
| O5 | C31 | N7 | H9 | 73.3° | 174.3° |
| O5 | C31 | C32 | H29 | 125.6° | 179.9° |
| C32 | C34 | H33 | H34 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C17 | C16 | C15 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | N5 | 179.2° | 179.9° |
| C16 | C17 | C18 | C19 | 1.6° | 0.1° |
| C17 | C16 | C15 | C20 | 0.1° | 0.1° |
| C17 | C16 | C15 | H16 | 179.9° | 179.6° |
| C18 | C17 | C16 | C15 | 0.6° | 0.1° |
| C17 | C18 | N5 | C19 | 177.6° | 180.0° |
| C17 | C18 | C19 | C20 | 2.1° | 0.1° |
| C17 | C18 | C19 | N6 | 179.6° | 180.0° |
| C17 | C18 | N5 | H4 | 154.8° | 146.0° |
| C18 | C17 | C16 | H17 | 179.4° | 180.0° |
| C16 | C15 | C20 | H16 | 180.0° | 179.7° |
| C16 | C15 | C20 | C19 | 0.6° | 0.1° |
| C15 | C16 | C17 | H18 | 179.4° | 180.0° |
| C16 | C15 | C20 | H19 | 179.4° | 179.7° |
| N5 | C18 | C19 | C20 | 179.7° | 179.9° |
| N5 | C18 | C19 | N6 | 1.9° | 0.0° |
| N5 | C18 | C17 | H18 | 0.7° | 0.0° |
| C18 | C19 | C20 | C15 | 1.6° | 0.1° |
| C18 | C19 | C20 | N6 | 178.3° | 179.9° |
| C18 | C19 | N6 | C21 | 142.6° | 145.4° |
| C19 | C18 | N5 | H4 | 27.6° | 34.0° |
| C18 | C19 | N6 | H5 | 37.4° | 34.6° |
| C19 | C18 | C17 | H18 | 178.4° | 180.0° |
| C18 | C19 | C20 | H19 | 178.4° | 179.7° |
| C15 | C20 | C19 | H19 | 180.0° | 179.7° |
| C15 | C20 | C19 | N6 | 179.9° | 180.0° |
| C20 | C15 | C16 | H17 | 179.9° | 180.0° |
| C20 | C19 | N6 | C21 | 39.1° | 34.5° |
| C20 | C19 | N6 | H5 | 140.9° | 145.5° |
| C19 | C20 | C15 | H16 | 179.4° | 179.7° |
| C19 | N6 | C21 | H5 | 180.0° | 180.0° |
| C19 | N6 | C21 | O4 | 12.8° | 4.3° |
| C19 | N6 | C21 | C22 | 169.1° | 175.7° |
| N6 | C19 | C20 | H19 | 0.1° | 0.4° |
| N6 | C21 | O4 | C22 | 178.0° | 180.0° |
| N6 | C21 | C22 | C33 | 139.9° | 180.0° |
| N6 | C21 | C22 | H20 | 40.1° | 0.0° |
| O4 | C21 | C22 | C33 | 41.9° | 0.0° |
| O4 | C21 | N6 | H5 | 167.2° | 175.7° |
| O4 | C21 | C22 | H20 | 138.1° | 180.0° |
| C21 | C22 | C33 | H20 | 180.0° | 180.0° |
| C22 | C21 | N6 | H5 | 10.9° | 4.4° |
| C21 | C22 | C33 | H31 | 180.0° | 0.1° |
| C21 | C22 | C33 | H32 | 0.0° | 180.0° |
| C22 | C33 | H31 | H32 | 180.0° | 179.9° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H10 | C8 | H11 | H12 | 120.0° | 120.1° |
| H16 | C15 | C16 | H17 | 0.1° | 0.3° |
| H16 | C15 | C20 | H19 | 0.6° | 0.0° |
| H17 | C16 | C17 | H18 | 0.6° | 0.1° |
| H20 | C22 | C33 | H31 | 0.0° | 180.0° |
| H20 | C22 | C33 | H32 | 180.0° | 0.1° |
| H21 | C23 | C24 | H23 | 176.0° | 180.0° |
| H21 | C23 | C24 | H24 | 63.8° | 60.0° |
| H22 | C23 | C24 | H23 | 57.1° | 60.0° |
| H22 | C23 | C24 | H24 | 177.3° | 179.9° |
| H25 | C26 | C27 | H26 | 0.1° | 0.1° |
| H27 | C29 | C30 | H28 | 0.2° | 0.2° |
| H29 | C32 | C34 | H33 | 0.0° | 0.1° |
| H29 | C32 | C34 | H34 | 180.0° | 180.0° |
