M8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.51Å | 1.42Å | |
| C1 | C7 | sing | 1.53Å | 1.55Å | |
| C1 | C25 | sing | 1.53Å | 1.56Å | |
| N1 | C2 | sing | 1.37Å | 1.39Å | |
| N1 | C3 | sing | 1.49Å | 1.48Å | |
| BR1 | C22 | sing | 1.89Å | 1.93Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| N2 | N3 | sing | 1.37Å | 1.27Å | |
| 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 | 1.36Å | |
| O3 | C12 | doub | 1.21Å | 1.24Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C35 | sing | 1.53Å | 1.54Å | |
| N4 | C13 | sing | 1.47Å | 1.46Å | |
| N4 | C18 | sing | 1.35Å | 1.32Å | |
| O4 | C18 | doub | 1.21Å | 1.24Å | |
| N5 | C34 | sing | 1.36Å | 1.38Å | |
| N5 | C37 | sing | 1.48Å | 1.48Å | |
| O5 | C18 | sing | 1.35Å | 1.34Å | |
| O5 | C19 | sing | 1.45Å | 1.43Å | |
| O6 | C34 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.51Å | 1.41Å | |
| 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 | 1.54Å | |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.41Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C32 | sing | 1.51Å | 1.41Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.40Å | |
| C33 | C36 | doub | 1.31Å | 1.40Å | |
| C36 | C37 | sing | 1.51Å | 1.40Å | |
| 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 | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| 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 | |
| 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 | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | 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) |
| O1 | C1 | C2 | 108.3° | 109.5° |
| O1 | C1 | C7 | 107.1° | 109.5° |
| O1 | C1 | C25 | 108.8° | 109.6° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | C7 | 113.7° | 109.5° |
| C2 | C1 | C25 | 109.5° | 109.1° |
| C1 | C2 | N1 | 118.2° | 118.9° |
| C1 | C2 | O2 | 123.1° | 120.5° |
| C7 | C1 | C25 | 109.3° | 109.7° |
| C1 | C7 | C8 | 111.4° | 109.5° |
| C1 | C7 | H7 | 109.0° | 109.4° |
| C1 | C7 | H7A | 109.0° | 109.5° |
| C1 | C25 | C26 | 113.4° | 109.0° |
| C1 | C25 | H25 | 108.5° | 109.6° |
| C1 | C25 | H25A | 108.5° | 109.6° |
| C2 | N1 | C3 | 125.7° | 114.0° |
| N1 | C2 | O2 | 117.8° | 120.6° |
| C2 | N1 | HN1 | 117.2° | 123.0° |
| N1 | C3 | C4 | 109.5° | 109.7° |
| N1 | C3 | C34 | 109.1° | 108.2° |
| C3 | N1 | HN1 | 117.2° | 123.0° |
| N1 | C3 | H3 | 109.9° | 109.7° |
| BR1 | C22 | C21 | 120.7° | 120.0° |
| BR1 | C22 | C23 | 120.3° | 120.1° |
| N3 | N2 | C9 | 110.2° | 111.0° |
| N3 | N2 | C10 | 109.2° | 111.0° |
| N2 | N3 | C12 | 119.4° | 120.0° |
| N2 | N3 | HN3 | 120.3° | 120.0° |
| C9 | N2 | C10 | 109.3° | 111.0° |
| N2 | C9 | C8 | 112.4° | 109.4° |
| N2 | C9 | H9 | 108.7° | 109.5° |
| N2 | C9 | H9A | 108.8° | 109.4° |
| N2 | C10 | C11 | 112.9° | 109.4° |
| N2 | C10 | H10 | 108.6° | 109.5° |
| N2 | C10 | H10A | 108.6° | 109.4° |
| C4 | C3 | C34 | 108.2° | 109.7° |
| C3 | C4 | C5 | 111.2° | 109.5° |
| C3 | C4 | C35 | 108.5° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.7° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| C3 | C34 | N5 | 120.4° | 119.1° |
| C3 | C34 | O6 | 122.7° | 120.4° |
| C34 | C3 | H3 | 110.9° | 109.8° |
| N3 | C12 | O3 | 124.5° | 120.0° |
| N3 | C12 | C13 | 112.8° | 120.0° |
| C12 | N3 | HN3 | 120.3° | 119.9° |
| O3 | C12 | C13 | 121.4° | 120.0° |
| C5 | C4 | C35 | 109.4° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H5A | 109.5° | 109.5° |
| C4 | C5 | H5B | 109.4° | 109.5° |
| C35 | C4 | H4 | 109.2° | 109.4° |
| C4 | C35 | H35 | 109.5° | 109.5° |
| C4 | C35 | H35A | 109.5° | 109.5° |
| C4 | C35 | H35B | 109.5° | 109.5° |
| C13 | N4 | C18 | 122.5° | 120.0° |
| N4 | C13 | C12 | 109.3° | 109.5° |
| N4 | C13 | C14 | 110.1° | 109.5° |
| C13 | N4 | HN4 | 118.8° | 120.0° |
| N4 | C13 | H13 | 108.1° | 109.5° |
| N4 | C18 | O4 | 120.8° | 120.0° |
| N4 | C18 | O5 | 116.7° | 120.0° |
| C18 | N4 | HN4 | 118.7° | 120.0° |
| O4 | C18 | O5 | 121.2° | 120.0° |
| C34 | N5 | C37 | 121.5° | 115.8° |
| N5 | C34 | O6 | 116.9° | 120.4° |
| C34 | N5 | HN5 | 119.3° | 122.1° |
| N5 | C37 | C36 | 108.9° | 108.8° |
| C37 | N5 | HN5 | 119.2° | 122.1° |
| N5 | C37 | H37 | 109.6° | 109.6° |
| N5 | C37 | H37A | 109.6° | 109.6° |
| C18 | O5 | C19 | 112.4° | 117.0° |
| O5 | C19 | H19 | 109.5° | 109.5° |
| O5 | C19 | H19A | 109.5° | 109.5° |
| O5 | C19 | H19B | 109.5° | 109.5° |
| C7 | C8 | C9 | 112.4° | 109.5° |
| C8 | C7 | H7 | 109.0° | 109.5° |
| C8 | C7 | H7A | 109.0° | 109.5° |
| C7 | C8 | H8 | 108.7° | 109.5° |
| C7 | C8 | H8A | 108.7° | 109.5° |
| C9 | C8 | H8 | 108.7° | 109.5° |
| C9 | C8 | H8A | 108.7° | 109.4° |
| C8 | C9 | H9 | 108.7° | 109.5° |
| C8 | C9 | H9A | 108.7° | 109.5° |
| C10 | C11 | C20 | 121.2° | 120.0° |
| C10 | C11 | C24 | 119.9° | 120.0° |
| C11 | C10 | H10 | 108.6° | 109.5° |
| C11 | C10 | H10A | 108.6° | 109.5° |
| C20 | C11 | C24 | 118.7° | 120.0° |
| C11 | C20 | C21 | 119.9° | 120.0° |
| C11 | C20 | H20 | 120.0° | 120.0° |
| C11 | C24 | C23 | 121.4° | 120.0° |
| C11 | C24 | H24 | 119.4° | 120.0° |
| C12 | C13 | C14 | 114.7° | 109.5° |
| C12 | C13 | H13 | 107.2° | 109.5° |
| C13 | C14 | C15 | 110.1° | 109.5° |
| C13 | C14 | C16 | 108.4° | 109.5° |
| C13 | C14 | C17 | 111.1° | 109.5° |
| C14 | C13 | H13 | 107.3° | 109.5° |
| C15 | C14 | C16 | 108.4° | 109.4° |
| C15 | C14 | C17 | 110.1° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.4° |
| C14 | C15 | H15B | 109.5° | 109.5° |
| C16 | C14 | C17 | 108.7° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.4° |
| C14 | C16 | H16A | 109.4° | 109.5° |
| C14 | C16 | H16B | 109.4° | 109.5° |
| C14 | C17 | H17 | 109.5° | 109.5° |
| C14 | C17 | H17A | 109.5° | 109.5° |
| C14 | C17 | H17B | 109.5° | 109.4° |
| C20 | C21 | C22 | 120.9° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.1° |
| C20 | C21 | H21 | 119.5° | 120.0° |
| C21 | C22 | C23 | 119.0° | 119.9° |
| C22 | C21 | H21 | 119.6° | 120.0° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | H24 | 119.3° | 120.0° |
| C25 | C26 | C27 | 121.3° | 120.0° |
| C25 | C26 | C31 | 120.2° | 120.0° |
| C26 | C25 | H25 | 108.5° | 109.6° |
| C26 | C25 | H25A | 108.5° | 109.5° |
| C27 | C26 | C31 | 118.5° | 120.0° |
| C26 | C27 | C28 | 120.4° | 120.0° |
| C26 | C27 | H27 | 119.8° | 120.0° |
| C26 | C31 | C30 | 120.7° | 120.0° |
| C26 | C31 | H31 | 119.7° | 120.0° |
| C27 | C28 | C29 | 121.0° | 120.0° |
| C28 | C27 | H27 | 119.8° | 120.0° |
| C27 | C28 | H28 | 119.5° | 120.0° |
| C28 | C29 | C30 | 118.4° | 120.0° |
| C28 | C29 | C32 | 119.6° | 119.9° |
| C29 | C28 | H28 | 119.5° | 120.0° |
| C30 | C29 | C32 | 122.0° | 120.1° |
| C29 | C30 | C31 | 120.7° | 120.0° |
| C29 | C30 | H30 | 119.6° | 120.0° |
| C29 | C32 | C33 | 114.0° | 109.6° |
| C29 | C32 | H32 | 108.4° | 109.4° |
| C29 | C32 | H32A | 108.3° | 109.4° |
| C31 | C30 | H30 | 119.6° | 119.9° |
| C30 | C31 | H31 | 119.6° | 120.0° |
| C32 | C33 | C36 | 124.5° | 120.3° |
| C33 | C32 | H32 | 108.3° | 109.5° |
| C33 | C32 | H32A | 108.3° | 109.4° |
| C32 | C33 | H33 | 117.8° | 119.9° |
| C33 | C36 | C37 | 125.7° | 120.2° |
| C36 | C33 | H33 | 117.7° | 119.9° |
| C33 | C36 | H36 | 117.2° | 119.9° |
| C37 | C36 | H36 | 117.2° | 119.9° |
| C36 | C37 | H37 | 109.6° | 109.6° |
| C36 | C37 | H37A | 109.6° | 109.6° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| H5 | C5 | H5B | 109.5° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.4° |
| H9 | C9 | H9A | 109.4° | 109.4° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.5° | 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° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H17 | C17 | H17B | 109.4° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.4° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.4° | 109.6° |
| H32 | C32 | H32A | 109.5° | 109.4° |
| H35 | C35 | H35A | 109.5° | 109.4° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.4° |
| H37 | C37 | H37A | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C7 | 118.9° | 120.1° |
| O1 | C1 | C2 | C25 | 118.5° | 119.9° |
| O1 | C1 | C7 | C25 | 117.8° | 120.3° |
| O1 | C1 | C2 | N1 | 15.0° | 38.5° |
| O1 | C1 | C2 | O2 | 175.9° | 141.4° |
| O1 | C1 | C7 | C8 | 70.6° | 59.8° |
| O1 | C1 | C25 | C26 | 73.0° | 108.1° |
| O1 | C1 | C7 | H7 | 169.2° | 179.8° |
| O1 | C1 | C7 | H7A | 49.7° | 60.2° |
| O1 | C1 | C25 | H25 | 47.5° | 11.7° |
| O1 | C1 | C25 | H25A | 166.4° | 132.0° |
| C2 | C1 | C7 | C25 | 122.7° | 119.6° |
| C1 | C2 | N1 | O2 | 169.7° | 180.0° |
| C1 | C2 | N1 | C3 | 172.1° | 178.7° |
| C2 | C1 | C7 | C8 | 49.0° | 60.3° |
| C2 | C1 | C25 | C26 | 45.2° | 11.7° |
| C1 | C2 | N1 | HN1 | 7.9° | 1.2° |
| C2 | C1 | O1 | HO1 | 180.0° | 60.1° |
| C2 | C1 | C7 | H7 | 71.3° | 59.7° |
| C2 | C1 | C7 | H7A | 169.3° | 179.7° |
| C2 | C1 | C25 | H25 | 165.7° | 131.6° |
| C2 | C1 | C25 | H25A | 75.5° | 108.1° |
| C7 | C1 | C2 | N1 | 133.9° | 81.6° |
| C7 | C1 | C2 | O2 | 57.0° | 98.4° |
| C1 | C7 | C8 | H7 | 120.3° | 120.0° |
| C1 | C7 | C8 | H7A | 120.3° | 120.0° |
| C1 | C7 | C8 | C9 | 165.1° | 175.1° |
| C7 | C1 | C25 | C26 | 170.3° | 131.6° |
| C7 | C1 | O1 | HO1 | 57.0° | 179.8° |
| C1 | C7 | H7 | H7A | 119.1° | 120.0° |
| C1 | C7 | C8 | H8 | 44.7° | 55.0° |
| C1 | C7 | C8 | H8A | 74.5° | 64.9° |
| C7 | C1 | C25 | H25 | 69.1° | 108.5° |
| C7 | C1 | C25 | H25A | 49.7° | 11.8° |
| C25 | C1 | C2 | N1 | 103.5° | 158.4° |
| C25 | C1 | C2 | O2 | 65.6° | 21.6° |
| C25 | C1 | C7 | C8 | 171.7° | 179.9° |
| C1 | C25 | C26 | H25 | 120.6° | 119.9° |
| C1 | C25 | C26 | H25A | 120.6° | 119.9° |
| C1 | C25 | C26 | C27 | 72.7° | 95.5° |
| C1 | C25 | C26 | C31 | 106.2° | 84.4° |
| C25 | C1 | O1 | HO1 | 61.0° | 59.5° |
| C25 | C1 | C7 | H7 | 51.4° | 59.9° |
| C25 | C1 | C7 | H7A | 68.0° | 60.0° |
| C1 | C25 | H25 | H25A | 118.2° | 120.3° |
| C2 | N1 | C3 | HN1 | 180.0° | 179.9° |
| C2 | N1 | C3 | C4 | 108.3° | 169.5° |
| C2 | N1 | C3 | C34 | 133.5° | 49.9° |
| C2 | N1 | C3 | H3 | 11.7° | 69.9° |
| C3 | N1 | C2 | O2 | 2.4° | 1.2° |
| N1 | C3 | C4 | C34 | 118.8° | 118.7° |
| N1 | C3 | C4 | H3 | 120.4° | 120.6° |
| N1 | C3 | C34 | H3 | 121.2° | 119.7° |
| N1 | C3 | C4 | C5 | 57.3° | 175.4° |
| N1 | C3 | C4 | C35 | 177.6° | 64.7° |
| N1 | C3 | C34 | N5 | 116.0° | 132.8° |
| N1 | C3 | C34 | O6 | 60.7° | 47.2° |
| N1 | C3 | C4 | H4 | 63.4° | 55.3° |
| BR1 | C22 | C21 | C20 | 175.6° | 180.0° |
| BR1 | C22 | C21 | C23 | 178.2° | 179.9° |
| BR1 | C22 | C23 | C24 | 179.6° | 179.8° |
| BR1 | C22 | C21 | H21 | 4.3° | 0.1° |
| BR1 | C22 | C23 | H23 | 0.4° | 0.0° |
| O2 | C2 | N1 | HN1 | 177.6° | 178.8° |
| N3 | N2 | C9 | C10 | 120.0° | 123.9° |
| N2 | N3 | C12 | HN3 | 180.0° | 180.0° |
| N2 | N3 | C12 | O3 | 3.6° | 4.8° |
| N3 | N2 | C9 | C8 | 99.5° | 66.9° |
| N3 | N2 | C10 | C11 | 70.2° | 65.0° |
| N2 | N3 | C12 | C13 | 163.3° | 175.1° |
| N3 | N2 | C9 | H9 | 140.0° | 173.0° |
| N3 | N2 | C9 | H9A | 20.9° | 53.0° |
| N3 | N2 | C10 | H10 | 50.3° | 55.0° |
| N3 | N2 | C10 | H10A | 169.3° | 175.0° |
| C9 | N2 | N3 | C12 | 123.7° | 115.9° |
| N2 | C9 | C8 | C7 | 66.7° | 66.2° |
| N2 | C9 | C8 | H9 | 120.4° | 120.0° |
| N2 | C9 | C8 | H9A | 120.5° | 119.9° |
| C9 | N2 | C10 | C11 | 169.2° | 171.0° |
| C9 | N2 | N3 | HN3 | 56.3° | 64.0° |
| N2 | C9 | C8 | H8 | 172.8° | 53.8° |
| N2 | C9 | C8 | H8A | 53.7° | 173.8° |
| N2 | C9 | H9 | H9A | 118.7° | 120.0° |
| C9 | N2 | C10 | H10 | 70.3° | 69.0° |
| C9 | N2 | C10 | H10A | 48.7° | 51.1° |
| C10 | N2 | N3 | C12 | 116.2° | 120.1° |
| C10 | N2 | C9 | C8 | 140.5° | 169.1° |
| N2 | C10 | C11 | H10 | 120.5° | 120.0° |
| N2 | C10 | C11 | H10A | 120.5° | 119.9° |
| N2 | C10 | C11 | C20 | 59.8° | 90.1° |
| N2 | C10 | C11 | C24 | 125.1° | 90.3° |
| C10 | N2 | N3 | HN3 | 63.7° | 59.9° |
| C10 | N2 | C9 | H9 | 20.0° | 49.1° |
| C10 | N2 | C9 | H9A | 99.1° | 70.9° |
| N2 | C10 | H10 | H10A | 118.5° | 120.0° |
| C4 | C3 | C34 | H3 | 119.7° | 120.6° |
| C3 | C4 | C5 | C35 | 119.8° | 120.0° |
| C3 | C4 | C5 | H4 | 120.7° | 120.1° |
| C3 | C4 | C35 | H4 | 119.0° | 120.0° |
| C4 | C3 | C34 | N5 | 124.9° | 107.5° |
| C4 | C3 | C34 | O6 | 58.4° | 72.5° |
| C4 | C3 | N1 | HN1 | 71.7° | 10.4° |
| 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 | C35 | H35 | 180.0° | 65.0° |
| C3 | C4 | C35 | H35A | 60.0° | 175.0° |
| C3 | C4 | C35 | H35B | 60.0° | 55.0° |
| C34 | C3 | C4 | C5 | 176.1° | 56.7° |
| C34 | C3 | C4 | C35 | 63.5° | 176.6° |
| C3 | C34 | N5 | O6 | 176.9° | 180.0° |
| C3 | C34 | N5 | C37 | 166.7° | 178.9° |
| C34 | C3 | N1 | HN1 | 46.5° | 130.1° |
| C34 | C3 | C4 | H4 | 55.4° | 63.4° |
| C3 | C34 | N5 | HN5 | 13.3° | 1.1° |
| N3 | C12 | O3 | C13 | 165.9° | 179.9° |
| N3 | C12 | C13 | N4 | 85.4° | 168.7° |
| N3 | C12 | C13 | C14 | 150.5° | 71.4° |
| N3 | C12 | C13 | H13 | 31.5° | 48.6° |
| O3 | C12 | C13 | N4 | 82.0° | 11.3° |
| O3 | C12 | C13 | C14 | 42.1° | 108.7° |
| O3 | C12 | N3 | HN3 | 176.4° | 175.2° |
| O3 | C12 | C13 | H13 | 161.1° | 131.3° |
| C5 | C4 | C35 | H4 | 119.5° | 120.0° |
| C5 | C4 | C3 | H3 | 63.2° | 64.0° |
| C4 | C5 | H5 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5B | 120.0° | 120.0° |
| C4 | C5 | H5A | H5B | 120.0° | 120.0° |
| C5 | C4 | C35 | H35 | 58.5° | 175.0° |
| C5 | C4 | C35 | H35A | 178.5° | 55.0° |
| C5 | C4 | C35 | H35B | 61.5° | 65.0° |
| C35 | C4 | C3 | H3 | 57.2° | 56.0° |
| C35 | C4 | C5 | H5 | 60.2° | 60.0° |
| C35 | C4 | C5 | H5A | 59.8° | 60.0° |
| C35 | C4 | C5 | H5B | 179.8° | 180.0° |
| C4 | C35 | H35 | H35A | 120.0° | 120.0° |
| C4 | C35 | H35 | H35B | 120.0° | 120.0° |
| C4 | C35 | H35A | H35B | 120.0° | 120.0° |
| C13 | N4 | C18 | HN4 | 180.0° | 180.0° |
| C13 | N4 | C18 | O4 | 15.3° | 0.0° |
| C13 | N4 | C18 | O5 | 177.9° | 180.0° |
| N4 | C13 | C12 | C14 | 124.1° | 120.0° |
| N4 | C13 | C12 | H13 | 116.9° | 120.0° |
| N4 | C13 | C14 | H13 | 117.4° | 120.0° |
| N4 | C13 | C14 | C15 | 173.3° | 63.0° |
| N4 | C13 | C14 | C16 | 68.3° | 177.0° |
| N4 | C13 | C14 | C17 | 51.1° | 57.0° |
| N4 | C18 | O4 | O5 | 166.2° | 180.0° |
| N4 | C18 | O5 | C19 | 178.3° | 180.0° |
| C18 | N4 | C13 | C12 | 112.1° | 148.6° |
| C18 | N4 | C13 | C14 | 121.1° | 91.4° |
| C18 | N4 | C13 | H13 | 4.3° | 28.6° |
| O4 | C18 | O5 | C19 | 15.0° | 0.0° |
| O4 | C18 | N4 | HN4 | 164.7° | 180.0° |
| C34 | N5 | C37 | HN5 | 180.0° | 179.9° |
| C34 | N5 | C37 | C36 | 157.2° | 155.2° |
| N5 | C34 | C3 | H3 | 5.2° | 13.1° |
| C34 | N5 | C37 | H37 | 82.9° | 84.9° |
| C34 | N5 | C37 | H37A | 37.3° | 35.4° |
| C37 | N5 | C34 | O6 | 10.2° | 1.1° |
| N5 | C37 | C36 | C33 | 102.1° | 127.3° |
| N5 | C37 | C36 | H37 | 119.9° | 119.8° |
| N5 | C37 | C36 | H37A | 119.9° | 119.8° |
| N5 | C37 | C36 | H36 | 77.9° | 52.7° |
| N5 | C37 | H37 | H37A | 120.3° | 120.3° |
| O5 | C18 | N4 | HN4 | 2.2° | 0.0° |
| C18 | O5 | C19 | H19 | 180.0° | 60.0° |
| C18 | O5 | C19 | H19A | 60.0° | 60.0° |
| C18 | O5 | C19 | H19B | 60.0° | 180.0° |
| O5 | C19 | H19 | H19A | 120.0° | 120.0° |
| O5 | C19 | H19 | H19B | 120.0° | 120.0° |
| O5 | C19 | H19A | H19B | 120.0° | 120.0° |
| O6 | C34 | C3 | H3 | 178.1° | 166.9° |
| O6 | C34 | N5 | HN5 | 169.8° | 178.8° |
| C7 | C8 | C9 | H8 | 120.5° | 120.0° |
| C7 | C8 | C9 | H8A | 120.4° | 120.0° |
| C8 | C7 | H7 | H7A | 119.1° | 120.0° |
| C7 | C8 | H8 | H8A | 118.7° | 120.0° |
| C7 | C8 | C9 | H9 | 172.9° | 53.9° |
| C7 | C8 | C9 | H9A | 53.8° | 173.9° |
| C9 | C8 | C7 | H7 | 74.6° | 64.9° |
| C9 | C8 | C7 | H7A | 44.8° | 55.1° |
| C9 | C8 | H8 | H8A | 118.6° | 120.0° |
| C8 | C9 | H9 | H9A | 118.6° | 120.0° |
| C10 | C11 | C20 | C24 | 175.2° | 179.7° |
| C10 | C11 | C20 | C21 | 179.4° | 180.0° |
| C10 | C11 | C24 | C23 | 174.8° | 179.8° |
| C11 | C10 | H10 | H10A | 118.4° | 120.0° |
| C10 | C11 | C20 | H20 | 0.6° | 0.1° |
| C10 | C11 | C24 | H24 | 5.2° | 0.0° |
| C11 | C20 | C21 | H20 | 180.0° | 179.9° |
| C11 | C20 | C21 | C22 | 5.8° | 0.1° |
| C20 | C11 | C24 | C23 | 0.5° | 0.5° |
| C20 | C11 | C10 | H10 | 179.7° | 30.0° |
| C20 | C11 | C10 | H10A | 60.7° | 150.0° |
| C11 | C20 | C21 | H21 | 174.2° | 180.0° |
| C20 | C11 | C24 | H24 | 179.5° | 179.7° |
| C24 | C11 | C20 | C21 | 4.2° | 0.3° |
| C11 | C24 | C23 | C22 | 3.7° | 0.5° |
| C11 | C24 | C23 | H24 | 180.0° | 179.8° |
| C24 | C11 | C10 | H10 | 4.6° | 149.7° |
| C24 | C11 | C10 | H10A | 114.4° | 29.7° |
| C24 | C11 | C20 | H20 | 175.8° | 179.8° |
| C11 | C24 | C23 | H23 | 176.3° | 179.7° |
| C12 | C13 | C14 | H13 | 119.0° | 120.0° |
| C12 | C13 | C14 | C15 | 49.6° | 57.0° |
| C12 | C13 | C14 | C16 | 168.1° | 63.0° |
| C12 | C13 | C14 | C17 | 72.6° | 177.0° |
| C13 | C12 | N3 | HN3 | 16.6° | 4.9° |
| C12 | C13 | N4 | HN4 | 67.9° | 31.4° |
| C13 | C14 | C15 | C16 | 118.4° | 120.0° |
| C13 | C14 | C15 | C17 | 122.8° | 120.0° |
| C13 | C14 | C16 | C17 | 120.8° | 120.1° |
| C14 | C13 | N4 | HN4 | 58.8° | 88.6° |
| C13 | C14 | C15 | H15 | 180.0° | 54.9° |
| C13 | C14 | C15 | H15A | 60.0° | 174.9° |
| C13 | C14 | C15 | H15B | 60.0° | 65.1° |
| C13 | C14 | C16 | H16 | 180.0° | 58.1° |
| C13 | C14 | C16 | H16A | 60.0° | 178.1° |
| C13 | C14 | C16 | H16B | 60.0° | 61.8° |
| 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 | 119.7° | 120.0° |
| C15 | C14 | C13 | H13 | 69.3° | 177.0° |
| 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 | 60.5° | 178.1° |
| C15 | C14 | C16 | H16A | 59.5° | 61.9° |
| C15 | C14 | C16 | H16B | 179.5° | 58.1° |
| C15 | C14 | C17 | H17 | 57.8° | 60.0° |
| C15 | C14 | C17 | H17A | 177.8° | 60.0° |
| C15 | C14 | C17 | H17B | 62.2° | 180.0° |
| C16 | C14 | C13 | H13 | 49.1° | 57.0° |
| C16 | C14 | C15 | H15 | 61.6° | 65.0° |
| C16 | C14 | C15 | H15A | 178.4° | 54.9° |
| C16 | C14 | C15 | H15B | 58.4° | 174.9° |
| 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 | 60.8° | 180.0° |
| C16 | C14 | C17 | H17A | 59.2° | 60.0° |
| C16 | C14 | C17 | H17B | 179.2° | 60.0° |
| C17 | C14 | C13 | H13 | 168.4° | 63.0° |
| C17 | C14 | C15 | H15 | 57.2° | 175.0° |
| C17 | C14 | C15 | H15A | 62.8° | 65.1° |
| C17 | C14 | C15 | H15B | 177.2° | 54.9° |
| C17 | C14 | C16 | H16 | 59.2° | 62.0° |
| C17 | C14 | C16 | H16A | 179.2° | 58.1° |
| C17 | C14 | C16 | H16B | 60.8° | 178.1° |
| C14 | C17 | H17 | H17A | 120.0° | 120.0° |
| C14 | C17 | H17 | H17B | 120.0° | 120.0° |
| C14 | C17 | H17A | H17B | 120.0° | 120.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 2.5° | 0.1° |
| C21 | C22 | C23 | C24 | 2.2° | 0.3° |
| C22 | C21 | C20 | H20 | 174.2° | 180.0° |
| C21 | C22 | C23 | H23 | 177.8° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C23 | C22 | C21 | H21 | 177.5° | 180.0° |
| C22 | C23 | C24 | H24 | 176.3° | 179.7° |
| C25 | C26 | C27 | C31 | 178.9° | 179.9° |
| C25 | C26 | C27 | C28 | 178.0° | 179.5° |
| C25 | C26 | C31 | C30 | 174.4° | 179.5° |
| C26 | C25 | H25 | H25A | 118.2° | 120.2° |
| C25 | C26 | C27 | H27 | 2.0° | 0.4° |
| C25 | C26 | C31 | H31 | 5.6° | 0.5° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.5° | 0.0° |
| C27 | C26 | C31 | C30 | 4.6° | 0.5° |
| C27 | C26 | C25 | H25 | 47.9° | 24.4° |
| C27 | C26 | C25 | H25A | 166.7° | 144.6° |
| C26 | C27 | C28 | H28 | 178.5° | 180.0° |
| C27 | C26 | C31 | H31 | 175.5° | 179.6° |
| C31 | C26 | C27 | C28 | 0.9° | 0.5° |
| C26 | C31 | C30 | C29 | 6.0° | 0.0° |
| C26 | C31 | C30 | H31 | 180.0° | 180.0° |
| C31 | C26 | C25 | H25 | 133.2° | 155.7° |
| C31 | C26 | C25 | H25A | 14.4° | 35.5° |
| C31 | C26 | C27 | H27 | 179.1° | 179.6° |
| C26 | C31 | C30 | H30 | 174.0° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.4° |
| C27 | C28 | C29 | C32 | 179.2° | 179.4° |
| C28 | C29 | C30 | C32 | 179.0° | 179.7° |
| C28 | C29 | C30 | C31 | 3.5° | 0.4° |
| C28 | C29 | C32 | C33 | 140.6° | 146.7° |
| C29 | C28 | C27 | H27 | 178.5° | 180.0° |
| C28 | C29 | C30 | H30 | 176.5° | 179.6° |
| C28 | C29 | C32 | H32 | 20.0° | 26.6° |
| C28 | C29 | C32 | H32A | 98.7° | 93.3° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C30 | C29 | C32 | C33 | 40.3° | 33.0° |
| C30 | C29 | C28 | H28 | 179.8° | 179.6° |
| C29 | C30 | C31 | H31 | 174.1° | 180.0° |
| C30 | C29 | C32 | H32 | 161.0° | 153.1° |
| C30 | C29 | C32 | H32A | 80.3° | 87.0° |
| C32 | C29 | C30 | C31 | 175.6° | 179.4° |
| C29 | C32 | C33 | H32 | 120.7° | 120.1° |
| C29 | C32 | C33 | H32A | 120.6° | 120.0° |
| C29 | C32 | C33 | C36 | 70.8° | 64.1° |
| C32 | C29 | C28 | H28 | 0.7° | 0.7° |
| C32 | C29 | C30 | H30 | 4.5° | 0.6° |
| C29 | C32 | H32 | H32A | 118.0° | 119.9° |
| C29 | C32 | C33 | H33 | 109.2° | 116.1° |
| C32 | C33 | C36 | H33 | 180.0° | 179.8° |
| C32 | C33 | C36 | C37 | 1.8° | 0.1° |
| C33 | C32 | H32 | H32A | 117.9° | 119.9° |
| C32 | C33 | C36 | H36 | 178.2° | 179.9° |
| C33 | C36 | C37 | H36 | 180.0° | 180.0° |
| C36 | C33 | C32 | H32 | 49.9° | 56.0° |
| C36 | C33 | C32 | H32A | 168.6° | 175.9° |
| C33 | C36 | C37 | H37 | 138.0° | 112.9° |
| C33 | C36 | C37 | H37A | 17.8° | 7.5° |
| C36 | C37 | N5 | HN5 | 22.8° | 24.9° |
| C37 | C36 | C33 | H33 | 178.2° | 179.9° |
| C36 | C37 | H37 | H37A | 120.3° | 120.3° |
| HN1 | N1 | C3 | H3 | 168.4° | 110.2° |
| H3 | C3 | C4 | H4 | 176.2° | 176.0° |
| H4 | C4 | C5 | H5 | 59.3° | 179.9° |
| H4 | C4 | C5 | H5A | 179.3° | 60.0° |
| H4 | C4 | C5 | H5B | 60.7° | 60.0° |
| H4 | C4 | C35 | H35 | 61.1° | 55.0° |
| H4 | C4 | C35 | H35A | 59.0° | 65.0° |
| H4 | C4 | C35 | H35B | 179.0° | 175.0° |
| HN4 | N4 | C13 | H13 | 175.7° | 151.5° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| HN5 | N5 | C37 | H37 | 97.1° | 95.0° |
| HN5 | N5 | C37 | H37A | 142.7° | 144.6° |
| H7 | C7 | C8 | H8 | 164.9° | 175.0° |
| H7 | C7 | C8 | H8A | 45.8° | 55.0° |
| H7A | C7 | C8 | H8 | 75.6° | 65.0° |
| H7A | C7 | C8 | H8A | 165.2° | 175.0° |
| H8 | C8 | C9 | H9 | 52.4° | 173.9° |
| H8 | C8 | C9 | H9A | 66.7° | 66.1° |
| H8A | C8 | C9 | H9 | 66.7° | 66.2° |
| H8A | C8 | C9 | H9A | 174.2° | 53.8° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| H17 | C17 | H17A | H17B | 119.9° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 5.8° | 0.1° |
| H23 | C23 | C24 | H24 | 3.7° | 0.1° |
| H27 | C27 | C28 | H28 | 1.5° | 0.1° |
| H30 | C30 | C31 | H31 | 6.0° | 0.0° |
| H32 | C32 | C33 | H33 | 130.1° | 123.9° |
| H32A | C32 | C33 | H33 | 11.4° | 3.9° |
| H33 | C33 | C36 | H36 | 1.8° | 0.1° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H36 | C36 | C37 | H37 | 42.0° | 67.1° |
| H36 | C36 | C37 | H37A | 162.2° | 172.5° |
