EQM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C22 | sing | 1.89Å | 1.90Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.41Å | |
| C1 | C7 | sing | 1.53Å | 1.54Å | |
| C1 | C25 | sing | 1.53Å | 1.54Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| N1 | C3 | sing | 1.47Å | 1.49Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | N3 | sing | 1.36Å | 1.24Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| N2 | C10 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C34 | sing | 1.51Å | 1.41Å | |
| N3 | C12 | sing | 1.35Å | 1.35Å | |
| O3 | C12 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C35 | sing | 1.53Å | 1.53Å | |
| N4 | C13 | sing | 1.47Å | 1.47Å | |
| N4 | C18 | sing | 1.35Å | 1.35Å | |
| O4 | C18 | doub | 1.21Å | 1.24Å | |
| N5 | C34 | sing | 1.35Å | 1.40Å | |
| N5 | C37 | sing | 1.46Å | 1.48Å | |
| O5 | C18 | sing | 1.35Å | 1.37Å | |
| O5 | C19 | sing | 1.45Å | 1.43Å | |
| O6 | C34 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.40Å | |
| C11 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.39Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C36 | doub | 1.31Å | 1.39Å | |
| C36 | C37 | sing | 1.51Å | 1.39Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H33A | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C22 | C21 | 119.7° | 120.0° |
| BR | C22 | C23 | 120.6° | 120.0° |
| O1 | C1 | C2 | 108.5° | 109.5° |
| O1 | C1 | C7 | 108.7° | 109.5° |
| O1 | C1 | C25 | 108.8° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | C7 | 112.4° | 109.5° |
| C2 | C1 | C25 | 110.7° | 109.4° |
| C1 | C2 | N1 | 118.4° | 120.0° |
| C1 | C2 | O2 | 122.1° | 120.0° |
| C7 | C1 | C25 | 107.7° | 109.5° |
| C1 | C7 | C8 | 112.0° | 109.5° |
| C1 | C7 | H7 | 108.8° | 109.5° |
| C1 | C7 | H7A | 108.9° | 109.5° |
| C1 | C25 | C26 | 111.4° | 109.5° |
| C1 | C25 | H25 | 109.0° | 109.5° |
| C1 | C25 | H25A | 109.0° | 109.5° |
| C2 | N1 | C3 | 123.0° | 120.0° |
| N1 | C2 | O2 | 118.8° | 120.0° |
| C2 | N1 | HN1 | 118.5° | 120.0° |
| N1 | C3 | C4 | 110.8° | 109.5° |
| N1 | C3 | C34 | 111.2° | 109.5° |
| C3 | N1 | HN1 | 118.5° | 120.0° |
| N1 | C3 | H3 | 107.9° | 109.5° |
| N3 | N2 | C9 | 109.3° | 111.0° |
| N3 | N2 | C10 | 109.0° | 111.1° |
| N2 | N3 | C12 | 118.9° | 120.0° |
| N2 | N3 | HN3 | 120.6° | 120.0° |
| C9 | N2 | C10 | 108.3° | 111.0° |
| N2 | C9 | C8 | 113.0° | 109.5° |
| N2 | C9 | H9 | 108.6° | 109.4° |
| N2 | C9 | H9A | 108.6° | 109.5° |
| N2 | C10 | C11 | 112.6° | 109.4° |
| N2 | C10 | H10 | 108.7° | 109.4° |
| N2 | C10 | H10A | 108.7° | 109.5° |
| C4 | C3 | C34 | 110.6° | 109.5° |
| C3 | C4 | C5 | 110.1° | 109.4° |
| C3 | C4 | C6 | 110.3° | 109.4° |
| C3 | C4 | C35 | 108.7° | 109.4° |
| C4 | C3 | H3 | 107.3° | 109.5° |
| C3 | C34 | N5 | 119.9° | 120.0° |
| C3 | C34 | O6 | 122.6° | 120.0° |
| C34 | C3 | H3 | 108.9° | 109.5° |
| N3 | C12 | O3 | 123.7° | 120.0° |
| N3 | C12 | C13 | 113.6° | 120.0° |
| C12 | N3 | HN3 | 120.5° | 119.9° |
| O3 | C12 | C13 | 121.0° | 120.0° |
| C5 | C4 | C6 | 109.4° | 109.5° |
| C5 | C4 | C35 | 109.3° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H5A | 109.4° | 109.5° |
| C4 | C5 | H5B | 109.5° | 109.5° |
| C6 | C4 | C35 | 109.0° | 109.5° |
| C4 | C6 | H6 | 109.5° | 109.5° |
| C4 | C6 | H6A | 109.4° | 109.4° |
| C4 | C6 | H6B | 109.5° | 109.5° |
| C4 | C35 | H35 | 109.5° | 109.5° |
| C4 | C35 | H35A | 109.5° | 109.4° |
| C4 | C35 | H35B | 109.4° | 109.5° |
| C13 | N4 | C18 | 121.1° | 120.0° |
| N4 | C13 | C12 | 110.6° | 109.5° |
| N4 | C13 | C14 | 110.0° | 109.4° |
| C13 | N4 | HN4 | 119.4° | 120.0° |
| N4 | C13 | H13 | 108.0° | 109.5° |
| N4 | C18 | O4 | 119.6° | 120.0° |
| N4 | C18 | O5 | 119.0° | 120.0° |
| C18 | N4 | HN4 | 119.5° | 120.0° |
| O4 | C18 | O5 | 119.8° | 120.0° |
| C34 | N5 | C37 | 119.6° | 120.0° |
| N5 | C34 | O6 | 117.4° | 120.0° |
| C34 | N5 | HN5 | 120.2° | 120.0° |
| N5 | C37 | C36 | 110.2° | 109.4° |
| C37 | N5 | HN5 | 120.2° | 120.0° |
| N5 | C37 | H37 | 109.3° | 109.5° |
| N5 | C37 | H37A | 109.3° | 109.5° |
| C18 | O5 | C19 | 110.2° | 117.0° |
| O5 | C19 | H19 | 109.5° | 109.5° |
| O5 | C19 | H19A | 109.5° | 109.5° |
| O5 | C19 | H19B | 109.5° | 109.4° |
| C7 | C8 | C9 | 110.2° | 109.5° |
| C8 | C7 | H7 | 108.9° | 109.5° |
| C8 | C7 | H7A | 108.8° | 109.4° |
| C7 | C8 | H8 | 109.3° | 109.5° |
| C7 | C8 | H8A | 109.3° | 109.5° |
| C9 | C8 | H8 | 109.3° | 109.5° |
| C9 | C8 | H8A | 109.3° | 109.5° |
| C8 | C9 | H9 | 108.6° | 109.5° |
| C8 | C9 | H9A | 108.6° | 109.5° |
| C10 | C11 | C20 | 119.9° | 120.0° |
| C10 | C11 | C24 | 120.2° | 120.0° |
| C11 | C10 | H10 | 108.7° | 109.5° |
| C11 | C10 | H10A | 108.7° | 109.5° |
| C20 | C11 | C24 | 119.4° | 120.0° |
| C11 | C20 | C21 | 120.1° | 120.0° |
| C11 | C20 | H20 | 120.0° | 120.0° |
| C11 | C24 | C23 | 120.3° | 120.0° |
| C11 | C24 | H24 | 119.9° | 120.0° |
| C12 | C13 | C14 | 113.5° | 109.5° |
| C12 | C13 | H13 | 107.1° | 109.5° |
| C13 | C14 | C15 | 110.2° | 109.5° |
| C13 | C14 | C16 | 108.7° | 109.5° |
| C13 | C14 | C17 | 110.3° | 109.4° |
| C14 | C13 | H13 | 107.3° | 109.5° |
| C15 | C14 | C16 | 109.4° | 109.5° |
| C15 | C14 | C17 | 109.4° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.5° | 109.4° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| C16 | C14 | C17 | 108.9° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.5° |
| C14 | C16 | H16A | 109.5° | 109.5° |
| C14 | C16 | H16B | 109.4° | 109.5° |
| C14 | C17 | H17 | 109.5° | 109.5° |
| C14 | C17 | H17A | 109.5° | 109.4° |
| C14 | C17 | H17B | 109.4° | 109.5° |
| C20 | C21 | C22 | 120.4° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | C23 | 119.5° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C24 | C23 | H23 | 120.0° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C25 | C26 | C31 | 119.8° | 120.1° |
| C26 | C25 | H25 | 109.0° | 109.5° |
| C26 | C25 | H25A | 109.0° | 109.4° |
| C27 | C26 | C31 | 119.9° | 119.9° |
| C26 | C27 | C28 | 119.9° | 120.0° |
| C26 | C27 | H27 | 120.0° | 120.0° |
| C26 | C31 | C30 | 119.9° | 120.1° |
| C26 | C31 | H31 | 120.0° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C28 | C29 | C30 | 119.9° | 119.9° |
| C29 | C28 | H28 | 120.0° | 119.9° |
| C28 | C29 | H29 | 120.0° | 120.1° |
| C29 | C30 | C31 | 120.0° | 120.0° |
| C30 | C29 | H29 | 120.1° | 120.0° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C31 | C30 | H30 | 120.0° | 120.0° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C33 | C36 | C37 | 120.9° | 120.0° |
| C36 | C33 | H33 | 120.0° | 120.0° |
| C36 | C33 | H33A | 120.0° | 120.1° |
| C33 | C36 | H36 | 119.6° | 120.0° |
| C37 | C36 | H36 | 119.5° | 120.0° |
| C36 | C37 | H37 | 109.3° | 109.5° |
| C36 | C37 | H37A | 109.3° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| H5 | C5 | H5B | 109.4° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.4° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.5° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.4° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.4° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H33 | C33 | H33A | 120.0° | 119.9° |
| H35 | C35 | H35A | 109.4° | 109.4° |
| H35 | C35 | H35B | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C22 | C21 | C20 | 175.9° | 180.0° |
| BR | C22 | C21 | C23 | 175.7° | 179.9° |
| BR | C22 | C23 | C24 | 178.8° | 179.8° |
| BR | C22 | C21 | H21 | 4.1° | 0.0° |
| BR | C22 | C23 | H23 | 1.1° | 0.0° |
| O1 | C1 | C2 | C7 | 120.2° | 120.0° |
| O1 | C1 | C2 | C25 | 119.4° | 120.0° |
| O1 | C1 | C7 | C25 | 117.7° | 120.0° |
| O1 | C1 | C2 | N1 | 16.3° | 35.0° |
| O1 | C1 | C2 | O2 | 173.2° | 144.9° |
| O1 | C1 | C7 | C8 | 62.4° | 60.2° |
| O1 | C1 | C25 | C26 | 79.6° | 61.0° |
| O1 | C1 | C7 | H7 | 177.3° | 59.8° |
| O1 | C1 | C7 | H7A | 58.0° | 179.8° |
| O1 | C1 | C25 | H25 | 40.7° | 59.0° |
| O1 | C1 | C25 | H25A | 160.1° | 179.0° |
| C2 | C1 | C7 | C25 | 122.2° | 120.0° |
| C1 | C2 | N1 | O2 | 170.7° | 179.9° |
| C1 | C2 | N1 | C3 | 162.8° | 180.0° |
| C2 | C1 | C7 | C8 | 57.7° | 179.7° |
| C2 | C1 | C25 | C26 | 39.6° | 59.0° |
| C1 | C2 | N1 | HN1 | 17.2° | 0.1° |
| C2 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C2 | C1 | C7 | H7 | 62.7° | 60.2° |
| C2 | C1 | C7 | H7A | 178.1° | 59.8° |
| C2 | C1 | C25 | H25 | 159.9° | 179.0° |
| C2 | C1 | C25 | H25A | 80.7° | 61.0° |
| C7 | C1 | C2 | N1 | 136.5° | 155.0° |
| C7 | C1 | C2 | O2 | 53.1° | 24.9° |
| C1 | C7 | C8 | H7 | 120.4° | 120.0° |
| C1 | C7 | C8 | H7A | 120.4° | 120.0° |
| C1 | C7 | C8 | C9 | 158.9° | 177.8° |
| C7 | C1 | C25 | C26 | 162.8° | 178.9° |
| C7 | C1 | O1 | HO1 | 57.5° | 60.0° |
| C1 | C7 | H7 | H7A | 118.9° | 120.1° |
| C1 | C7 | C8 | H8 | 38.8° | 57.7° |
| C1 | C7 | C8 | H8A | 81.0° | 62.2° |
| C7 | C1 | C25 | H25 | 76.9° | 61.0° |
| C7 | C1 | C25 | H25A | 42.5° | 59.0° |
| C25 | C1 | C2 | N1 | 103.0° | 85.0° |
| C25 | C1 | C2 | O2 | 67.4° | 95.0° |
| C25 | C1 | C7 | C8 | 179.9° | 59.8° |
| C1 | C25 | C26 | H25 | 120.3° | 120.0° |
| C1 | C25 | C26 | H25A | 120.3° | 120.0° |
| C1 | C25 | C26 | C27 | 81.3° | 83.7° |
| C1 | C25 | C26 | C31 | 102.4° | 96.5° |
| C25 | C1 | O1 | HO1 | 59.5° | 180.0° |
| C25 | C1 | C7 | H7 | 59.5° | 179.8° |
| C25 | C1 | C7 | H7A | 59.7° | 60.2° |
| C1 | C25 | H25 | H25A | 119.1° | 120.0° |
| C2 | N1 | C3 | HN1 | 180.0° | 179.9° |
| C2 | N1 | C3 | C4 | 101.2° | 85.0° |
| C2 | N1 | C3 | C34 | 135.4° | 155.0° |
| C2 | N1 | C3 | H3 | 16.0° | 35.0° |
| C3 | N1 | C2 | O2 | 7.9° | 0.1° |
| N1 | C3 | C4 | C34 | 123.7° | 120.0° |
| N1 | C3 | C4 | H3 | 117.6° | 120.0° |
| N1 | C3 | C34 | H3 | 118.8° | 120.1° |
| N1 | C3 | C4 | C5 | 66.3° | 62.8° |
| N1 | C3 | C4 | C6 | 54.5° | 177.1° |
| N1 | C3 | C4 | C35 | 174.0° | 57.1° |
| N1 | C3 | C34 | N5 | 124.5° | 154.6° |
| N1 | C3 | C34 | O6 | 53.0° | 25.4° |
| O2 | C2 | N1 | HN1 | 172.0° | 180.0° |
| N3 | N2 | C9 | C10 | 118.7° | 124.0° |
| N2 | N3 | C12 | HN3 | 180.0° | 179.9° |
| N2 | N3 | C12 | O3 | 2.3° | 5.4° |
| N3 | N2 | C9 | C8 | 107.9° | 64.2° |
| N3 | N2 | C10 | C11 | 68.1° | 65.0° |
| N2 | N3 | C12 | C13 | 163.0° | 174.6° |
| N3 | N2 | C9 | H9 | 131.6° | 175.9° |
| N3 | N2 | C9 | H9A | 12.6° | 55.9° |
| N3 | N2 | C10 | H10 | 52.4° | 55.0° |
| N3 | N2 | C10 | H10A | 171.4° | 175.0° |
| C9 | N2 | N3 | C12 | 121.1° | 117.0° |
| N2 | C9 | C8 | C7 | 69.1° | 176.0° |
| N2 | C9 | C8 | H9 | 120.5° | 120.0° |
| N2 | C9 | C8 | H9A | 120.5° | 120.0° |
| C9 | N2 | C10 | C11 | 173.0° | 171.1° |
| C9 | N2 | N3 | HN3 | 58.8° | 63.1° |
| N2 | C9 | C8 | H8 | 170.8° | 64.0° |
| N2 | C9 | C8 | H8A | 51.0° | 56.0° |
| N2 | C9 | H9 | H9A | 118.4° | 120.0° |
| C9 | N2 | C10 | H10 | 66.5° | 69.0° |
| C9 | N2 | C10 | H10A | 52.6° | 51.1° |
| C10 | N2 | N3 | C12 | 120.6° | 119.0° |
| C10 | N2 | C9 | C8 | 133.4° | 171.8° |
| N2 | C10 | C11 | H10 | 120.5° | 119.9° |
| N2 | C10 | C11 | H10A | 120.5° | 120.0° |
| N2 | C10 | C11 | C20 | 62.8° | 90.0° |
| N2 | C10 | C11 | C24 | 126.4° | 90.3° |
| C10 | N2 | N3 | HN3 | 59.4° | 60.9° |
| C10 | N2 | C9 | H9 | 12.9° | 51.9° |
| C10 | N2 | C9 | H9A | 106.1° | 68.1° |
| N2 | C10 | H10 | H10A | 118.6° | 120.0° |
| C4 | C3 | C34 | H3 | 117.7° | 120.0° |
| C3 | C4 | C5 | C6 | 121.4° | 120.0° |
| C3 | C4 | C5 | C35 | 119.4° | 120.0° |
| C3 | C4 | C6 | C35 | 119.3° | 120.0° |
| C4 | C3 | C34 | N5 | 112.0° | 85.5° |
| C4 | C3 | C34 | O6 | 70.6° | 94.6° |
| C4 | C3 | N1 | HN1 | 78.8° | 95.0° |
| C3 | C4 | C5 | H5 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5A | 60.0° | 180.0° |
| C3 | C4 | C5 | H5B | 60.0° | 60.0° |
| C3 | C4 | C6 | H6 | 180.0° | 61.0° |
| C3 | C4 | C6 | H6A | 60.0° | 179.0° |
| C3 | C4 | C6 | H6B | 60.0° | 59.0° |
| C3 | C4 | C35 | H35 | 180.0° | 60.0° |
| C3 | C4 | C35 | H35A | 60.0° | 180.0° |
| C3 | C4 | C35 | H35B | 60.0° | 60.0° |
| C34 | C3 | C4 | C5 | 170.0° | 57.1° |
| C34 | C3 | C4 | C6 | 69.2° | 62.9° |
| C34 | C3 | C4 | C35 | 50.2° | 177.1° |
| C3 | C34 | N5 | O6 | 177.6° | 180.0° |
| C3 | C34 | N5 | C37 | 176.8° | 175.3° |
| C34 | C3 | N1 | HN1 | 44.6° | 25.0° |
| C3 | C34 | N5 | HN5 | 3.2° | 4.8° |
| N3 | C12 | O3 | C13 | 164.2° | 180.0° |
| N3 | C12 | C13 | N4 | 83.8° | 156.9° |
| N3 | C12 | C13 | C14 | 152.0° | 83.1° |
| N3 | C12 | C13 | H13 | 33.7° | 36.9° |
| O3 | C12 | C13 | N4 | 81.9° | 23.1° |
| O3 | C12 | C13 | C14 | 42.3° | 96.8° |
| O3 | C12 | N3 | HN3 | 177.7° | 174.7° |
| O3 | C12 | C13 | H13 | 160.6° | 143.2° |
| C5 | C4 | C6 | C35 | 119.5° | 120.1° |
| C5 | C4 | C3 | H3 | 51.3° | 177.1° |
| C4 | C5 | H5 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5B | 120.0° | 120.1° |
| C4 | C5 | H5A | H5B | 120.0° | 120.0° |
| C5 | C4 | C6 | H6 | 58.7° | 179.0° |
| C5 | C4 | C6 | H6A | 61.3° | 59.1° |
| C5 | C4 | C6 | H6B | 178.7° | 61.0° |
| C5 | C4 | C35 | H35 | 59.8° | 59.9° |
| C5 | C4 | C35 | H35A | 179.8° | 60.0° |
| C5 | C4 | C35 | H35B | 60.2° | 180.0° |
| C6 | C4 | C3 | H3 | 172.2° | 57.1° |
| C6 | C4 | C5 | H5 | 58.6° | 59.9° |
| C6 | C4 | C5 | H5A | 178.6° | 60.0° |
| C6 | C4 | C5 | H5B | 61.4° | 180.0° |
| C4 | C6 | H6 | H6A | 120.0° | 119.9° |
| C4 | C6 | H6 | H6B | 120.0° | 120.0° |
| C4 | C6 | H6A | H6B | 120.0° | 120.0° |
| C6 | C4 | C35 | H35 | 59.7° | 180.0° |
| C6 | C4 | C35 | H35A | 60.3° | 60.0° |
| C6 | C4 | C35 | H35B | 179.7° | 60.0° |
| C35 | C4 | C3 | H3 | 68.4° | 62.9° |
| C35 | C4 | C5 | H5 | 60.7° | 180.0° |
| C35 | C4 | C5 | H5A | 59.4° | 60.0° |
| C35 | C4 | C5 | H5B | 179.4° | 59.9° |
| C35 | C4 | C6 | H6 | 60.8° | 59.0° |
| C35 | C4 | C6 | H6A | 179.3° | 61.0° |
| C35 | C4 | C6 | H6B | 59.3° | 179.0° |
| C4 | C35 | H35 | H35A | 120.0° | 120.0° |
| C4 | C35 | H35 | H35B | 120.0° | 120.1° |
| C4 | C35 | H35A | H35B | 120.0° | 120.0° |
| C13 | N4 | C18 | HN4 | 180.0° | 179.9° |
| C13 | N4 | C18 | O4 | 10.9° | 0.0° |
| C13 | N4 | C18 | O5 | 176.5° | 179.9° |
| N4 | C13 | C12 | C14 | 124.3° | 119.9° |
| N4 | C13 | C12 | H13 | 117.5° | 120.0° |
| N4 | C13 | C14 | H13 | 117.2° | 120.0° |
| N4 | C13 | C14 | C15 | 170.7° | 61.2° |
| N4 | C13 | C14 | C16 | 69.5° | 178.7° |
| N4 | C13 | C14 | C17 | 49.8° | 58.8° |
| N4 | C18 | O4 | O5 | 165.4° | 179.9° |
| N4 | C18 | O5 | C19 | 159.6° | 180.0° |
| C18 | N4 | C13 | C12 | 112.7° | 155.0° |
| C18 | N4 | C13 | C14 | 121.0° | 85.0° |
| C18 | N4 | C13 | H13 | 4.3° | 35.0° |
| O4 | C18 | O5 | C19 | 34.9° | 0.1° |
| O4 | C18 | N4 | HN4 | 169.1° | 179.9° |
| C34 | N5 | C37 | HN5 | 180.0° | 180.0° |
| C34 | N5 | C37 | C36 | 149.5° | 180.0° |
| N5 | C34 | C3 | H3 | 5.7° | 34.5° |
| C34 | N5 | C37 | H37 | 90.3° | 60.0° |
| C34 | N5 | C37 | H37A | 29.5° | 60.0° |
| C37 | N5 | C34 | O6 | 0.7° | 4.7° |
| N5 | C37 | C36 | C33 | 65.9° | 125.0° |
| N5 | C37 | C36 | H37 | 120.1° | 120.0° |
| N5 | C37 | C36 | H37A | 120.1° | 120.0° |
| N5 | C37 | C36 | H36 | 114.1° | 55.0° |
| N5 | C37 | H37 | H37A | 119.6° | 120.0° |
| O5 | C18 | N4 | HN4 | 3.5° | 0.0° |
| C18 | O5 | C19 | H19 | 180.0° | 60.0° |
| C18 | O5 | C19 | H19A | 60.0° | 180.0° |
| C18 | O5 | C19 | H19B | 60.0° | 60.0° |
| O5 | C19 | H19 | H19A | 120.0° | 120.0° |
| O5 | C19 | H19 | H19B | 120.0° | 119.9° |
| O5 | C19 | H19A | H19B | 120.0° | 120.0° |
| O6 | C34 | C3 | H3 | 171.8° | 145.5° |
| O6 | C34 | N5 | HN5 | 179.3° | 175.3° |
| C7 | C8 | C9 | H8 | 120.1° | 120.0° |
| C7 | C8 | C9 | H8A | 120.1° | 120.0° |
| C8 | C7 | H7 | H7A | 118.9° | 119.9° |
| C7 | C8 | H8 | H8A | 119.7° | 120.0° |
| C7 | C8 | C9 | H9 | 170.4° | 64.0° |
| C7 | C8 | C9 | H9A | 51.4° | 56.0° |
| C9 | C8 | C7 | H7 | 80.7° | 62.2° |
| C9 | C8 | C7 | H7A | 38.5° | 57.7° |
| C9 | C8 | H8 | H8A | 119.7° | 120.0° |
| C8 | C9 | H9 | H9A | 118.4° | 120.1° |
| C10 | C11 | C20 | C24 | 170.9° | 179.7° |
| C10 | C11 | C20 | C21 | 178.3° | 180.0° |
| C10 | C11 | C24 | C23 | 175.3° | 179.8° |
| C11 | C10 | H10 | H10A | 118.6° | 120.0° |
| C10 | C11 | C20 | H20 | 1.6° | 0.1° |
| C10 | C11 | C24 | H24 | 4.7° | 0.0° |
| C11 | C20 | C21 | H20 | 180.0° | 179.9° |
| C11 | C20 | C21 | C22 | 5.1° | 0.1° |
| C20 | C11 | C24 | C23 | 4.4° | 0.5° |
| C20 | C11 | C10 | H10 | 176.7° | 29.9° |
| C20 | C11 | C10 | H10A | 57.7° | 150.0° |
| C11 | C20 | C21 | H21 | 174.9° | 180.0° |
| C20 | C11 | C24 | H24 | 175.6° | 179.7° |
| C24 | C11 | C20 | C21 | 7.4° | 0.3° |
| C11 | C24 | C23 | C22 | 0.8° | 0.5° |
| C11 | C24 | C23 | H24 | 180.0° | 179.8° |
| C24 | C11 | C10 | H10 | 5.9° | 149.8° |
| C24 | C11 | C10 | H10A | 113.2° | 29.7° |
| C24 | C11 | C20 | H20 | 172.6° | 179.8° |
| C11 | C24 | C23 | H23 | 179.1° | 179.8° |
| C12 | C13 | C14 | H13 | 118.2° | 120.0° |
| C12 | C13 | C14 | C15 | 46.1° | 58.7° |
| C12 | C13 | C14 | C16 | 165.9° | 61.3° |
| C12 | C13 | C14 | C17 | 74.8° | 178.7° |
| C13 | C12 | N3 | HN3 | 17.0° | 5.3° |
| C12 | C13 | N4 | HN4 | 67.3° | 24.9° |
| C13 | C14 | C15 | C16 | 119.4° | 120.0° |
| C13 | C14 | C15 | C17 | 121.4° | 120.0° |
| C13 | C14 | C16 | C17 | 120.2° | 120.0° |
| C14 | C13 | N4 | HN4 | 58.9° | 95.0° |
| C13 | C14 | C15 | H15 | 180.0° | 60.0° |
| C13 | C14 | C15 | H15A | 60.0° | 180.0° |
| C13 | C14 | C15 | H15B | 60.0° | 60.0° |
| C13 | C14 | C16 | H16 | 180.0° | 56.3° |
| C13 | C14 | C16 | H16A | 60.0° | 176.3° |
| C13 | C14 | C16 | H16B | 60.0° | 63.7° |
| C13 | C14 | C17 | H17 | 180.0° | 60.0° |
| C13 | C14 | C17 | H17A | 60.0° | 180.0° |
| C13 | C14 | C17 | H17B | 60.0° | 60.0° |
| C15 | C14 | C16 | C17 | 119.5° | 120.0° |
| C15 | C14 | C13 | H13 | 72.1° | 178.7° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C14 | C16 | H16 | 59.7° | 176.3° |
| C15 | C14 | C16 | H16A | 60.3° | 63.7° |
| C15 | C14 | C16 | H16B | 179.7° | 56.3° |
| C15 | C14 | C17 | H17 | 58.7° | 60.0° |
| C15 | C14 | C17 | H17A | 178.7° | 60.0° |
| C15 | C14 | C17 | H17B | 61.3° | 180.0° |
| C16 | C14 | C13 | H13 | 47.7° | 58.7° |
| C16 | C14 | C15 | H15 | 60.6° | 60.0° |
| C16 | C14 | C15 | H15A | 179.4° | 60.0° |
| C16 | C14 | C15 | H15B | 59.4° | 180.0° |
| C14 | C16 | H16 | H16A | 120.0° | 120.1° |
| C14 | C16 | H16 | H16B | 120.0° | 120.0° |
| C14 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C14 | C17 | H17 | 60.9° | 180.0° |
| C16 | C14 | C17 | H17A | 59.1° | 60.0° |
| C16 | C14 | C17 | H17B | 179.1° | 59.9° |
| C17 | C14 | C13 | H13 | 167.1° | 61.3° |
| C17 | C14 | C15 | H15 | 58.7° | 180.0° |
| C17 | C14 | C15 | H15A | 61.4° | 60.0° |
| C17 | C14 | C15 | H15B | 178.6° | 59.9° |
| C17 | C14 | C16 | H16 | 59.8° | 63.7° |
| C17 | C14 | C16 | H16A | 179.8° | 56.3° |
| C17 | C14 | C16 | H16B | 60.2° | 176.3° |
| C14 | C17 | H17 | H17A | 120.0° | 120.0° |
| C14 | C17 | H17 | H17B | 120.0° | 120.0° |
| C14 | C17 | H17A | H17B | 120.0° | 119.9° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C21 | C22 | C23 | C24 | 3.2° | 0.3° |
| C22 | C21 | C20 | H20 | 174.9° | 180.0° |
| C21 | C22 | C23 | H23 | 176.8° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C23 | C22 | C21 | H21 | 179.8° | 180.0° |
| C22 | C23 | C24 | H24 | 179.2° | 179.7° |
| C25 | C26 | C27 | C31 | 176.3° | 179.8° |
| C25 | C26 | C27 | C28 | 179.7° | 180.0° |
| C25 | C26 | C31 | C30 | 177.6° | 179.8° |
| C26 | C25 | H25 | H25A | 119.1° | 119.9° |
| C25 | C26 | C27 | H27 | 0.3° | 0.1° |
| C25 | C26 | C31 | H31 | 2.4° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.7° | 0.0° |
| C27 | C26 | C31 | C30 | 6.1° | 0.4° |
| C27 | C26 | C25 | H25 | 39.0° | 36.3° |
| C27 | C26 | C25 | H25A | 158.4° | 156.3° |
| C26 | C27 | C28 | H28 | 179.3° | 180.0° |
| C27 | C26 | C31 | H31 | 173.9° | 179.8° |
| C31 | C26 | C27 | C28 | 4.0° | 0.2° |
| C26 | C31 | C30 | C29 | 4.9° | 0.4° |
| C26 | C31 | C30 | H31 | 180.0° | 179.8° |
| C31 | C26 | C25 | H25 | 137.3° | 143.5° |
| C31 | C26 | C25 | H25A | 17.9° | 23.5° |
| C31 | C26 | C27 | H27 | 176.0° | 179.7° |
| C26 | C31 | C30 | H30 | 175.1° | 179.8° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.4° | 0.0° |
| C27 | C28 | C29 | H29 | 179.5° | 179.9° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 1.7° | 0.2° |
| C29 | C28 | C27 | H27 | 179.3° | 179.9° |
| C28 | C29 | C30 | H30 | 178.4° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.8° |
| C30 | C29 | C28 | H28 | 179.5° | 180.0° |
| C29 | C30 | C31 | H31 | 175.0° | 179.8° |
| C31 | C30 | C29 | H29 | 178.3° | 179.9° |
| C33 | C36 | C37 | H36 | 180.0° | 179.9° |
| C36 | C33 | H33 | H33A | 180.0° | 179.9° |
| C33 | C36 | C37 | H37 | 174.0° | 5.0° |
| C33 | C36 | C37 | H37A | 54.2° | 115.0° |
| C36 | C37 | N5 | HN5 | 30.5° | 0.0° |
| C37 | C36 | C33 | H33 | 0.0° | 180.0° |
| C37 | C36 | C33 | H33A | 180.0° | 0.0° |
| C36 | C37 | H37 | H37A | 119.6° | 120.0° |
| HN1 | N1 | C3 | H3 | 164.0° | 145.0° |
| HN4 | N4 | C13 | H13 | 175.7° | 144.9° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| HN5 | N5 | C37 | H37 | 89.7° | 120.0° |
| HN5 | N5 | C37 | H37A | 150.5° | 120.0° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 159.2° | 177.8° |
| H7 | C7 | C8 | H8A | 39.4° | 57.8° |
| H7A | C7 | C8 | H8 | 81.6° | 62.3° |
| H7A | C7 | C8 | H8A | 158.6° | 177.7° |
| H8 | C8 | C9 | H9 | 50.3° | 56.0° |
| H8 | C8 | C9 | H9A | 68.7° | 176.0° |
| H8A | C8 | C9 | H9 | 69.5° | 176.0° |
| H8A | C8 | C9 | H9A | 171.5° | 64.0° |
| H15 | C15 | H15A | H15B | 119.9° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| H17 | C17 | H17A | H17B | 120.0° | 120.1° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 5.1° | 0.1° |
| H23 | C23 | C24 | H24 | 0.9° | 0.0° |
| H27 | C27 | C28 | H28 | 0.7° | 0.0° |
| H28 | C28 | C29 | H29 | 0.5° | 0.1° |
| H29 | C29 | C30 | H30 | 1.6° | 0.1° |
| H30 | C30 | C31 | H31 | 4.9° | 0.0° |
| H33 | C33 | C36 | H36 | 180.0° | 0.1° |
| H33A | C33 | C36 | H36 | 0.0° | 180.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H36 | C36 | C37 | H37 | 6.0° | 175.0° |
| H36 | C36 | C37 | H37A | 125.8° | 65.0° |
