A1JJN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | C11 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C2 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C7 | sing | 1.53Å | 1.53Å | |
| O10 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C3 | sing | 1.51Å | 1.50Å | |
| C6 | N5 | sing | 1.35Å | 1.34Å | |
| O3 | C2 | sing | 1.43Å | 1.41Å | |
| O3 | C23 | sing | 1.43Å | 1.43Å | |
| C7 | N5 | sing | 1.47Å | 1.45Å | |
| C7 | C32 | sing | 1.53Å | 1.53Å | |
| C2 | O6 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | CL1 | sing | 1.74Å | 1.73Å | |
| O4 | C1 | doub | 1.21Å | 1.24Å | |
| O6 | C32 | sing | 1.43Å | 1.44Å | |
| C29 | CL2 | sing | 1.74Å | 1.72Å | |
| C32 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | O7 | sing | 1.34Å | 1.25Å | |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| C9 | C22 | sing | 1.53Å | 1.53Å | |
| O5 | C8 | doub | 1.22Å | 1.23Å | |
| C22 | N1 | sing | 1.46Å | 1.45Å | |
| C8 | N1 | sing | 1.35Å | 1.34Å | |
| C8 | C30 | sing | 1.48Å | 1.49Å | |
| C31 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H91 | sing | 1.09Å | 1.10Å | |
| C7 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | HO8 | sing | 1.09Å | 1.10Å | |
| C10 | HO1B | sing | 1.09Å | 1.10Å | |
| O2 | HO7 | sing | 0.97Å | 0.95Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C3 | H111 | sing | 1.09Å | 1.10Å | |
| C3 | H112 | sing | 1.09Å | 1.10Å | |
| C3 | H113 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N1 | HO9 | sing | 0.97Å | 1.00Å | |
| O1A | HO4 | sing | 0.97Å | 0.95Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| O7 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C11 | C10 | 110.4° | 109.6° |
| O1A | C11 | C7 | 109.9° | 109.5° |
| O1A | C11 | H91 | 109.6° | 109.5° |
| C11 | O1A | HO4 | 109.5° | 114.0° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C26 | C25 | C24 | 120.8° | 120.0° |
| C26 | C25 | H21 | 119.6° | 120.0° |
| C25 | C26 | H24 | 119.9° | 120.0° |
| C26 | C27 | C28 | 119.3° | 120.0° |
| C26 | C27 | H12 | 120.3° | 120.0° |
| C27 | C26 | H24 | 119.9° | 119.9° |
| C25 | C24 | C23 | 120.2° | 120.0° |
| C25 | C24 | C29 | 118.6° | 120.0° |
| C24 | C25 | H21 | 119.6° | 120.0° |
| C11 | C10 | C2 | 110.1° | 109.1° |
| C10 | C11 | C7 | 110.3° | 109.0° |
| C10 | C11 | H91 | 108.3° | 109.6° |
| C11 | C10 | HO8 | 109.3° | 109.5° |
| C11 | C10 | HO1B | 109.3° | 109.5° |
| C10 | C2 | O3 | 107.3° | 109.5° |
| C10 | C2 | O6 | 110.8° | 109.4° |
| C10 | C2 | C1 | 112.7° | 109.5° |
| C2 | C10 | HO8 | 109.3° | 109.5° |
| C2 | C10 | HO1B | 109.3° | 109.5° |
| C27 | C28 | C29 | 120.6° | 119.9° |
| C27 | C28 | CL1 | 118.9° | 120.0° |
| C28 | C27 | H12 | 120.3° | 120.0° |
| C11 | C7 | N5 | 110.0° | 109.5° |
| C11 | C7 | C32 | 107.8° | 109.2° |
| C7 | C11 | H91 | 108.3° | 109.5° |
| C11 | C7 | H92 | 109.0° | 109.5° |
| O10 | C6 | C3 | 122.0° | 120.0° |
| O10 | C6 | N5 | 122.0° | 120.0° |
| C3 | C6 | N5 | 115.9° | 120.0° |
| C6 | C3 | H111 | 109.5° | 109.5° |
| C6 | C3 | H112 | 109.4° | 109.4° |
| C6 | C3 | H113 | 109.5° | 109.5° |
| C6 | N5 | C7 | 123.5° | 120.0° |
| C6 | N5 | HN5 | 118.2° | 120.1° |
| C2 | O3 | C23 | 112.8° | 113.9° |
| O3 | C2 | O6 | 110.4° | 109.5° |
| O3 | C2 | C1 | 108.9° | 109.5° |
| O3 | C23 | C24 | 106.6° | 109.4° |
| O3 | C23 | H19 | 110.2° | 109.5° |
| O3 | C23 | H20 | 110.2° | 109.5° |
| N5 | C7 | C32 | 111.0° | 109.5° |
| N5 | C7 | H92 | 110.0° | 109.5° |
| C7 | N5 | HN5 | 118.3° | 120.0° |
| C7 | C32 | O6 | 106.9° | 109.4° |
| C7 | C32 | C5 | 115.6° | 109.5° |
| C32 | C7 | H92 | 109.0° | 109.6° |
| C7 | C32 | H6 | 108.7° | 109.5° |
| O6 | C2 | C1 | 106.7° | 109.5° |
| C2 | O6 | C32 | 116.9° | 114.1° |
| C2 | C1 | O4 | 117.5° | 120.0° |
| C2 | C1 | O7 | 115.8° | 120.0° |
| C23 | C24 | C29 | 121.1° | 120.0° |
| C24 | C23 | H19 | 110.2° | 109.4° |
| C24 | C23 | H20 | 110.2° | 109.5° |
| C24 | C29 | C28 | 120.4° | 120.0° |
| C24 | C29 | CL2 | 119.3° | 120.0° |
| C29 | C28 | CL1 | 120.5° | 120.0° |
| C28 | C29 | CL2 | 120.3° | 120.0° |
| O4 | C1 | O7 | 126.7° | 120.0° |
| O6 | C32 | C5 | 106.9° | 109.4° |
| O6 | C32 | H6 | 110.0° | 109.5° |
| C32 | C5 | O2 | 109.3° | 109.5° |
| C32 | C5 | C9 | 111.1° | 109.5° |
| C5 | C32 | H6 | 108.7° | 109.5° |
| C32 | C5 | H7 | 108.6° | 109.5° |
| C1 | O7 | H14 | 109.5° | 117.0° |
| O2 | C5 | C9 | 109.1° | 109.4° |
| C5 | O2 | HO7 | 109.5° | 114.0° |
| O2 | C5 | H7 | 110.0° | 109.4° |
| C5 | C9 | O1 | 109.2° | 109.4° |
| C5 | C9 | C22 | 112.5° | 109.5° |
| C5 | C9 | H8 | 108.0° | 109.4° |
| C9 | C5 | H7 | 108.6° | 109.4° |
| O1 | C9 | C22 | 109.7° | 109.5° |
| O1 | C9 | H8 | 109.3° | 109.4° |
| C9 | O1 | H13 | 109.5° | 114.0° |
| C9 | C22 | N1 | 110.7° | 109.4° |
| C22 | C9 | H8 | 108.0° | 109.5° |
| C9 | C22 | H1 | 109.2° | 109.5° |
| C9 | C22 | H2 | 109.2° | 109.5° |
| O5 | C8 | N1 | 122.2° | 120.0° |
| O5 | C8 | C30 | 120.8° | 120.0° |
| C22 | N1 | C8 | 122.1° | 120.0° |
| N1 | C22 | H1 | 109.2° | 109.5° |
| N1 | C22 | H2 | 109.2° | 109.5° |
| C22 | N1 | HO9 | 118.9° | 120.0° |
| N1 | C8 | C30 | 116.9° | 120.0° |
| C8 | N1 | HO9 | 118.9° | 120.0° |
| C8 | C30 | C31 | 120.4° | 120.1° |
| C8 | C30 | C21 | 121.1° | 120.0° |
| C30 | C31 | C12 | 120.6° | 120.0° |
| C31 | C30 | C21 | 118.5° | 119.9° |
| C30 | C31 | H3 | 119.7° | 119.9° |
| C31 | C12 | C13 | 121.3° | 120.0° |
| C12 | C31 | H3 | 119.7° | 120.1° |
| C31 | C12 | H4 | 119.3° | 120.0° |
| C30 | C21 | C20 | 120.7° | 120.0° |
| C30 | C21 | H11 | 119.7° | 120.0° |
| C12 | C13 | C20 | 117.7° | 120.1° |
| C12 | C13 | C14 | 121.2° | 119.9° |
| C13 | C12 | H4 | 119.4° | 120.0° |
| C21 | C20 | C13 | 121.3° | 120.0° |
| C21 | C20 | H10 | 119.4° | 120.0° |
| C20 | C21 | H11 | 119.7° | 120.1° |
| C20 | C13 | C14 | 121.1° | 120.0° |
| C13 | C20 | H10 | 119.4° | 120.0° |
| C13 | C14 | C15 | 120.9° | 120.1° |
| C13 | C14 | C19 | 120.9° | 120.2° |
| C15 | C14 | C19 | 118.2° | 119.7° |
| C14 | C15 | C16 | 120.8° | 119.8° |
| C14 | C15 | H5 | 119.6° | 120.1° |
| C14 | C19 | C18 | 120.7° | 119.9° |
| C14 | C19 | H23 | 119.6° | 120.1° |
| C15 | C16 | C17 | 120.3° | 120.1° |
| C16 | C15 | H5 | 119.6° | 120.1° |
| C15 | C16 | H9 | 119.9° | 119.9° |
| C19 | C18 | C17 | 120.3° | 120.1° |
| C19 | C18 | H22 | 119.8° | 119.9° |
| C18 | C19 | H23 | 119.6° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.3° |
| C17 | C16 | H9 | 119.8° | 119.9° |
| C16 | C17 | H18 | 120.1° | 119.9° |
| C18 | C17 | H18 | 120.1° | 119.8° |
| C17 | C18 | H22 | 119.9° | 120.0° |
| H1 | C22 | H2 | 109.4° | 109.5° |
| HO8 | C10 | HO1B | 109.5° | 109.6° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H111 | C3 | H112 | 109.5° | 109.5° |
| H111 | C3 | H113 | 109.5° | 109.5° |
| H112 | C3 | H113 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C11 | C10 | C7 | 121.6° | 119.9° |
| O1A | C11 | C10 | H91 | 120.0° | 120.3° |
| O1A | C11 | C10 | C2 | 175.8° | 176.9° |
| O1A | C11 | C7 | H91 | 119.7° | 120.2° |
| O1A | C11 | C7 | N5 | 57.0° | 63.1° |
| O1A | C11 | C7 | C32 | 178.0° | 177.0° |
| O1A | C11 | C7 | H92 | 63.8° | 57.0° |
| O1A | C11 | C10 | HO8 | 64.2° | 63.3° |
| O1A | C11 | C10 | HO1B | 55.7° | 57.0° |
| C25 | C26 | C27 | H24 | 180.0° | 180.0° |
| C26 | C25 | C24 | H21 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.2° |
| C26 | C25 | C24 | C23 | 179.9° | 180.0° |
| C26 | C25 | C24 | C29 | 0.0° | 0.3° |
| C25 | C26 | C27 | H12 | 179.9° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C27 | C28 | H12 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.2° | 0.2° |
| C26 | C27 | C28 | CL1 | 179.7° | 179.7° |
| C27 | C26 | C25 | H21 | 180.0° | 180.0° |
| C25 | C24 | C23 | O3 | 1.6° | 0.3° |
| C25 | C24 | C23 | C29 | 179.9° | 179.7° |
| C25 | C24 | C29 | C28 | 0.0° | 0.3° |
| C25 | C24 | C29 | CL2 | 179.9° | 179.7° |
| C25 | C24 | C23 | H19 | 117.9° | 120.3° |
| C25 | C24 | C23 | H20 | 121.1° | 119.7° |
| C24 | C25 | C26 | H24 | 180.0° | 180.0° |
| C11 | C10 | C2 | HO8 | 120.1° | 119.8° |
| C11 | C10 | C2 | HO1B | 120.1° | 119.9° |
| C10 | C11 | C7 | H91 | 118.4° | 119.9° |
| C11 | C10 | C2 | O3 | 170.6° | 177.7° |
| C10 | C11 | C7 | N5 | 178.8° | 176.9° |
| C10 | C11 | C7 | C32 | 60.1° | 57.0° |
| C11 | C10 | C2 | O6 | 49.9° | 57.6° |
| C11 | C10 | C2 | C1 | 69.5° | 62.4° |
| C10 | C11 | C7 | H92 | 58.1° | 63.0° |
| C11 | C10 | HO8 | HO1B | 119.7° | 120.2° |
| C10 | C11 | O1A | HO4 | 180.0° | 60.4° |
| C2 | C10 | C11 | C7 | 54.2° | 57.0° |
| C10 | C2 | O3 | O6 | 120.8° | 120.0° |
| C10 | C2 | O3 | C1 | 122.3° | 120.0° |
| C10 | C2 | O3 | C23 | 162.9° | 64.9° |
| C10 | C2 | O6 | C1 | 123.0° | 120.0° |
| C10 | C2 | C1 | O4 | 26.1° | 124.2° |
| C10 | C2 | O6 | C32 | 56.7° | 61.1° |
| C10 | C2 | C1 | O7 | 154.4° | 55.9° |
| C2 | C10 | C11 | H91 | 64.3° | 62.9° |
| C2 | C10 | HO8 | HO1B | 119.7° | 120.2° |
| C27 | C28 | C29 | C24 | 0.1° | 0.1° |
| C27 | C28 | C29 | CL1 | 179.8° | 179.9° |
| C27 | C28 | C29 | CL2 | 180.0° | 180.0° |
| C28 | C27 | C26 | H24 | 179.8° | 179.7° |
| C11 | C7 | N5 | C6 | 134.5° | 85.0° |
| C11 | C7 | N5 | C32 | 119.1° | 119.7° |
| C11 | C7 | N5 | H92 | 120.1° | 120.1° |
| C11 | C7 | C32 | H92 | 118.2° | 119.9° |
| C11 | C7 | C32 | O6 | 60.8° | 57.6° |
| C11 | C7 | C32 | C5 | 179.5° | 177.6° |
| C7 | C11 | C10 | HO8 | 174.2° | 176.8° |
| C7 | C11 | C10 | HO1B | 65.9° | 62.9° |
| C11 | C7 | C32 | H6 | 57.9° | 62.4° |
| C11 | C7 | N5 | HN5 | 45.5° | 95.0° |
| C7 | C11 | O1A | HO4 | 58.2° | 180.0° |
| O10 | C6 | C3 | N5 | 179.9° | 179.9° |
| O10 | C6 | N5 | C7 | 2.5° | 0.0° |
| O10 | C6 | C3 | H111 | 0.0° | 180.0° |
| O10 | C6 | C3 | H112 | 120.0° | 60.1° |
| O10 | C6 | C3 | H113 | 120.0° | 59.9° |
| O10 | C6 | N5 | HN5 | 177.5° | 179.9° |
| C3 | C6 | N5 | C7 | 177.4° | 180.0° |
| C6 | C3 | H111 | H112 | 120.0° | 120.0° |
| C6 | C3 | H111 | H113 | 120.0° | 120.0° |
| C6 | C3 | H112 | H113 | 120.0° | 120.0° |
| C3 | C6 | N5 | HN5 | 2.6° | 0.0° |
| C6 | N5 | C7 | HN5 | 180.0° | 179.9° |
| C6 | N5 | C7 | C32 | 106.4° | 155.3° |
| C6 | N5 | C7 | H92 | 14.4° | 35.1° |
| N5 | C6 | C3 | H111 | 179.9° | 0.0° |
| N5 | C6 | C3 | H112 | 59.9° | 120.0° |
| N5 | C6 | C3 | H113 | 60.1° | 120.0° |
| O3 | C2 | O6 | C1 | 118.2° | 120.0° |
| C2 | O3 | C23 | C24 | 167.6° | 174.7° |
| O3 | C2 | C1 | O4 | 92.9° | 4.2° |
| O3 | C2 | O6 | C32 | 175.5° | 178.9° |
| O3 | C2 | C1 | O7 | 86.6° | 175.9° |
| O3 | C2 | C10 | HO8 | 69.4° | 62.5° |
| O3 | C2 | C10 | HO1B | 50.5° | 57.8° |
| C2 | O3 | C23 | H19 | 48.1° | 54.8° |
| C2 | O3 | C23 | H20 | 72.8° | 65.3° |
| C23 | O3 | C2 | O6 | 42.0° | 55.1° |
| C23 | O3 | C2 | C1 | 74.9° | 175.1° |
| O3 | C23 | C24 | H19 | 119.5° | 120.0° |
| O3 | C23 | C24 | H20 | 119.6° | 120.0° |
| O3 | C23 | C24 | C29 | 178.5° | 180.0° |
| O3 | C23 | H19 | H20 | 121.3° | 120.0° |
| N5 | C7 | C32 | H92 | 121.3° | 120.1° |
| N5 | C7 | C32 | O6 | 178.7° | 177.5° |
| N5 | C7 | C32 | C5 | 60.0° | 62.5° |
| N5 | C7 | C11 | H91 | 62.8° | 57.0° |
| N5 | C7 | C32 | H6 | 62.6° | 57.5° |
| C7 | C32 | O6 | C2 | 62.0° | 61.2° |
| C7 | C32 | O6 | C5 | 124.3° | 120.0° |
| C7 | C32 | O6 | H6 | 117.9° | 120.0° |
| C7 | C32 | C5 | H6 | 122.6° | 120.0° |
| C7 | C32 | C5 | O2 | 58.5° | 55.0° |
| C7 | C32 | C5 | C9 | 179.0° | 175.0° |
| C32 | C7 | C11 | H91 | 58.3° | 62.9° |
| C7 | C32 | C5 | H7 | 61.6° | 65.0° |
| C32 | C7 | N5 | HN5 | 73.6° | 24.7° |
| O6 | C2 | C1 | O4 | 147.9° | 115.9° |
| C2 | O6 | C32 | C5 | 173.7° | 178.9° |
| O6 | C2 | C1 | O7 | 32.6° | 64.1° |
| O6 | C2 | C10 | HO8 | 170.0° | 177.5° |
| O6 | C2 | C10 | HO1B | 70.2° | 62.3° |
| C2 | O6 | C32 | H6 | 55.9° | 58.9° |
| C2 | C1 | O4 | O7 | 179.5° | 179.9° |
| C1 | C2 | O6 | C32 | 66.3° | 58.8° |
| C1 | C2 | C10 | HO8 | 50.5° | 57.5° |
| C1 | C2 | C10 | HO1B | 170.4° | 177.7° |
| C2 | C1 | O7 | H14 | 179.5° | 179.9° |
| C23 | C24 | C29 | C28 | 179.9° | 180.0° |
| C23 | C24 | C29 | CL2 | 0.0° | 0.1° |
| C24 | C23 | H19 | H20 | 121.3° | 120.0° |
| C23 | C24 | C25 | H21 | 0.1° | 0.0° |
| C24 | C29 | C28 | CL2 | 179.9° | 179.9° |
| C24 | C29 | C28 | CL1 | 179.7° | 180.0° |
| C29 | C24 | C23 | H19 | 61.9° | 60.1° |
| C29 | C24 | C23 | H20 | 59.0° | 60.0° |
| C29 | C24 | C25 | H21 | 180.0° | 179.7° |
| C29 | C28 | C27 | H12 | 179.8° | 180.0° |
| CL1 | C28 | C29 | CL2 | 0.1° | 0.1° |
| CL1 | C28 | C27 | H12 | 0.3° | 0.0° |
| O4 | C1 | O7 | H14 | 0.0° | 0.0° |
| O6 | C32 | C5 | H6 | 118.7° | 120.0° |
| O6 | C32 | C5 | O2 | 60.3° | 65.0° |
| O6 | C32 | C5 | C9 | 60.3° | 55.0° |
| O6 | C32 | C7 | H92 | 57.4° | 62.3° |
| O6 | C32 | C5 | H7 | 179.7° | 175.0° |
| C32 | C5 | O2 | C9 | 121.7° | 120.1° |
| C32 | C5 | O2 | H7 | 119.2° | 120.0° |
| C32 | C5 | C9 | H7 | 119.4° | 120.0° |
| C32 | C5 | C9 | O1 | 56.8° | 60.0° |
| C32 | C5 | C9 | C22 | 178.8° | 180.0° |
| C5 | C32 | C7 | H92 | 61.3° | 57.6° |
| C32 | C5 | C9 | H8 | 62.0° | 60.0° |
| C32 | C5 | O2 | HO7 | 180.0° | 60.0° |
| O2 | C5 | C9 | H7 | 119.9° | 119.9° |
| O2 | C5 | C9 | O1 | 177.4° | 180.0° |
| O2 | C5 | C9 | C22 | 60.5° | 60.0° |
| O2 | C5 | C9 | H8 | 58.6° | 60.1° |
| O2 | C5 | C32 | H6 | 178.9° | 175.0° |
| C5 | C9 | O1 | C22 | 123.7° | 120.0° |
| C5 | C9 | O1 | H8 | 118.0° | 119.9° |
| C5 | C9 | C22 | H8 | 119.1° | 120.0° |
| C5 | C9 | C22 | N1 | 169.0° | 175.0° |
| C5 | C9 | C22 | H1 | 48.8° | 55.0° |
| C5 | C9 | C22 | H2 | 70.8° | 65.0° |
| C9 | C5 | O2 | HO7 | 58.3° | 60.1° |
| C9 | C5 | C32 | H6 | 58.4° | 65.0° |
| C5 | C9 | O1 | H13 | 180.0° | 60.1° |
| O1 | C9 | C22 | H8 | 119.1° | 120.0° |
| O1 | C9 | C22 | N1 | 69.2° | 65.0° |
| O1 | C9 | C22 | H1 | 170.6° | 175.0° |
| O1 | C9 | C22 | H2 | 51.0° | 55.0° |
| O1 | C9 | C5 | H7 | 62.7° | 60.1° |
| C9 | C22 | N1 | H1 | 120.2° | 120.0° |
| C9 | C22 | N1 | H2 | 120.2° | 120.0° |
| C9 | C22 | N1 | C8 | 71.8° | 180.0° |
| C9 | C22 | H1 | H2 | 119.4° | 120.0° |
| C22 | C9 | C5 | H7 | 59.4° | 59.9° |
| C9 | C22 | N1 | HO9 | 108.2° | 0.0° |
| C22 | C9 | O1 | H13 | 56.3° | 59.9° |
| O5 | C8 | N1 | C22 | 11.6° | 0.0° |
| O5 | C8 | N1 | C30 | 178.8° | 180.0° |
| O5 | C8 | C30 | C31 | 0.7° | 179.7° |
| O5 | C8 | C30 | C21 | 177.6° | 0.1° |
| O5 | C8 | N1 | HO9 | 168.4° | 180.0° |
| C22 | N1 | C8 | HO9 | 180.0° | 180.0° |
| C22 | N1 | C8 | C30 | 167.3° | 180.0° |
| N1 | C22 | C9 | H8 | 49.9° | 55.0° |
| N1 | C22 | H1 | H2 | 119.5° | 120.1° |
| N1 | C8 | C30 | C31 | 179.5° | 0.3° |
| N1 | C8 | C30 | C21 | 1.2° | 180.0° |
| C8 | N1 | C22 | H1 | 48.4° | 60.1° |
| C8 | N1 | C22 | H2 | 168.0° | 60.0° |
| C8 | C30 | C31 | C21 | 178.4° | 179.7° |
| C8 | C30 | C31 | C12 | 177.6° | 180.0° |
| C8 | C30 | C21 | C20 | 177.7° | 179.8° |
| C8 | C30 | C31 | H3 | 2.4° | 0.1° |
| C8 | C30 | C21 | H11 | 2.3° | 0.0° |
| C30 | C8 | N1 | HO9 | 12.7° | 0.0° |
| C30 | C31 | C12 | H3 | 180.0° | 180.0° |
| C30 | C31 | C12 | C13 | 0.3° | 0.0° |
| C31 | C30 | C21 | C20 | 0.6° | 0.5° |
| C30 | C31 | C12 | H4 | 179.8° | 179.9° |
| C31 | C30 | C21 | H11 | 179.4° | 179.7° |
| C12 | C31 | C30 | C21 | 0.7° | 0.3° |
| C31 | C12 | C13 | H4 | 180.0° | 179.9° |
| C31 | C12 | C13 | C20 | 0.3° | 0.0° |
| C31 | C12 | C13 | C14 | 179.1° | 180.0° |
| C30 | C21 | C20 | H11 | 180.0° | 179.8° |
| C30 | C21 | C20 | C13 | 0.0° | 0.5° |
| C21 | C30 | C31 | H3 | 179.2° | 179.8° |
| C30 | C21 | C20 | H10 | 180.0° | 179.8° |
| C12 | C13 | C20 | C21 | 0.5° | 0.2° |
| C12 | C13 | C20 | C14 | 179.4° | 180.0° |
| C12 | C13 | C14 | C15 | 22.0° | 180.0° |
| C12 | C13 | C14 | C19 | 157.8° | 0.2° |
| C13 | C12 | C31 | H3 | 179.7° | 180.0° |
| C12 | C13 | C20 | H10 | 179.5° | 180.0° |
| C21 | C20 | C13 | H10 | 180.0° | 179.8° |
| C21 | C20 | C13 | C14 | 179.0° | 179.8° |
| C20 | C13 | C14 | C15 | 158.6° | 0.0° |
| C20 | C13 | C14 | C19 | 21.5° | 179.8° |
| C20 | C13 | C12 | H4 | 179.6° | 180.0° |
| C13 | C20 | C21 | H11 | 180.0° | 179.8° |
| C13 | C14 | C15 | C19 | 179.8° | 179.8° |
| C13 | C14 | C15 | C16 | 179.7° | 180.0° |
| C13 | C14 | C19 | C18 | 179.8° | 179.7° |
| C14 | C13 | C12 | H4 | 1.0° | 0.1° |
| C13 | C14 | C15 | H5 | 0.3° | 0.0° |
| C14 | C13 | C20 | H10 | 1.0° | 0.0° |
| C13 | C14 | C19 | H23 | 0.2° | 0.1° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C15 | C14 | C19 | C18 | 0.0° | 0.5° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H9 | 179.9° | 180.0° |
| C15 | C14 | C19 | H23 | 179.9° | 179.7° |
| C19 | C14 | C15 | C16 | 0.2° | 0.2° |
| C14 | C19 | C18 | H23 | 180.0° | 179.8° |
| C14 | C19 | C18 | C17 | 0.1° | 0.5° |
| C19 | C14 | C15 | H5 | 179.9° | 179.8° |
| C14 | C19 | C18 | H22 | 179.9° | 179.7° |
| C15 | C16 | C17 | H9 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.3° |
| C19 | C18 | C17 | H22 | 180.0° | 179.8° |
| C19 | C18 | C17 | H18 | 179.8° | 179.7° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | H5 | 179.9° | 179.9° |
| C16 | C17 | C18 | H22 | 179.9° | 179.9° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C17 | C18 | C19 | H23 | 179.9° | 179.7° |
| H91 | C11 | C7 | H92 | 176.5° | 177.1° |
| H91 | C11 | C10 | HO8 | 55.8° | 57.0° |
| H91 | C11 | C10 | HO1B | 175.6° | 177.2° |
| H91 | C11 | O1A | HO4 | 60.8° | 59.9° |
| H92 | C7 | C32 | H6 | 176.1° | 177.7° |
| H92 | C7 | N5 | HN5 | 165.6° | 144.9° |
| H8 | C9 | C22 | H1 | 70.3° | 65.0° |
| H8 | C9 | C22 | H2 | 170.1° | 175.0° |
| H8 | C9 | C5 | H7 | 178.5° | 180.0° |
| H8 | C9 | O1 | H13 | 62.0° | 180.0° |
| H1 | C22 | N1 | HO9 | 131.6° | 120.0° |
| H2 | C22 | N1 | HO9 | 12.0° | 120.0° |
| H3 | C31 | C12 | H4 | 0.3° | 0.0° |
| H5 | C15 | C16 | H9 | 0.1° | 0.1° |
| H9 | C16 | C17 | H18 | 0.0° | 0.0° |
| H10 | C20 | C21 | H11 | 0.0° | 0.0° |
| H12 | C27 | C26 | H24 | 0.2° | 0.0° |
| HO7 | O2 | C5 | H7 | 60.8° | 180.0° |
| H6 | C32 | C5 | H7 | 61.0° | 55.0° |
| H18 | C17 | C18 | H22 | 0.2° | 0.1° |
| H21 | C25 | C26 | H24 | 0.0° | 0.0° |
| H22 | C18 | C19 | H23 | 0.1° | 0.1° |
| H111 | C3 | H112 | H113 | 120.0° | 120.0° |
