MJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| CL | C23 | sing | 1.74Å | 1.76Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.49Å | |
| C19 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | S | sing | 1.81Å | 1.82Å | |
| S | C9 | sing | 1.81Å | 1.82Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| N3 | C4 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | O2 | sing | 1.44Å | 1.45Å | |
| C8 | C7 | sing | 1.54Å | 1.54Å | |
| O2 | C5 | sing | 1.44Å | 1.42Å | |
| N | C | sing | 1.38Å | 1.35Å | |
| C3 | C | doub | 1.41Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.55Å | 1.54Å | |
| C7 | O1 | sing | 1.43Å | 1.43Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| N4 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| C6 | O | sing | 1.43Å | 1.43Å | |
| C | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.33Å | Aromatic |
| N1 | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.08Å | 1.08Å | |
| N5 | H26 | sing | 1.01Å | 1.00Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| O | H29 | sing | 0.97Å | 0.95Å | |
| C1 | H30 | sing | 1.08Å | 1.08Å | |
| N | H31 | sing | 0.97Å | 1.00Å | |
| N | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 120.6° | 119.9° |
| C18 | C17 | C16 | 120.2° | 120.1° |
| C18 | C17 | H20 | 119.9° | 119.9° |
| C17 | C18 | H21 | 119.7° | 120.1° |
| C18 | C19 | C20 | 121.2° | 120.1° |
| C18 | C19 | C26 | 118.2° | 119.7° |
| C19 | C18 | H21 | 119.7° | 120.1° |
| C17 | C16 | C15 | 120.6° | 120.2° |
| C17 | C16 | H19 | 119.7° | 119.9° |
| C16 | C17 | H20 | 119.9° | 120.0° |
| C25 | C24 | C23 | 119.1° | 120.1° |
| C24 | C25 | C20 | 121.5° | 119.9° |
| C24 | C25 | H12 | 119.2° | 120.0° |
| C25 | C24 | H16 | 120.4° | 120.0° |
| C24 | C23 | CL | 119.4° | 119.8° |
| C24 | C23 | C22 | 121.1° | 120.3° |
| C23 | C24 | H16 | 120.5° | 119.9° |
| C25 | C20 | C19 | 121.1° | 120.1° |
| C25 | C20 | C21 | 117.7° | 119.8° |
| C20 | C25 | H12 | 119.3° | 120.0° |
| CL | C23 | C22 | 119.5° | 119.9° |
| C23 | C22 | C21 | 119.2° | 120.1° |
| C23 | C22 | H15 | 120.4° | 119.9° |
| C20 | C19 | C26 | 120.4° | 120.1° |
| C19 | C20 | C21 | 121.1° | 120.1° |
| C19 | C26 | C15 | 121.9° | 119.9° |
| C19 | C26 | H13 | 119.0° | 120.0° |
| C20 | C21 | C22 | 121.4° | 119.9° |
| C20 | C21 | H14 | 119.3° | 120.1° |
| C16 | C15 | C26 | 118.4° | 120.1° |
| C16 | C15 | C14 | 121.1° | 119.9° |
| C15 | C16 | H19 | 119.7° | 119.9° |
| C22 | C21 | H14 | 119.3° | 120.0° |
| C21 | C22 | H15 | 120.4° | 119.9° |
| C26 | C15 | C14 | 120.4° | 120.0° |
| C15 | C26 | H13 | 119.1° | 120.1° |
| C15 | C14 | N5 | 113.1° | 109.5° |
| C15 | C14 | H17 | 108.5° | 109.4° |
| C15 | C14 | H18 | 108.6° | 109.5° |
| C14 | N5 | C13 | 113.0° | 111.0° |
| N5 | C14 | H17 | 108.6° | 109.5° |
| N5 | C14 | H18 | 108.6° | 109.5° |
| C14 | N5 | H26 | 108.6° | 111.0° |
| N5 | C13 | C12 | 112.7° | 109.5° |
| N5 | C13 | H2 | 108.7° | 109.5° |
| N5 | C13 | H3 | 108.7° | 109.5° |
| C13 | N5 | H26 | 108.6° | 111.0° |
| C13 | C12 | C11 | 114.1° | 109.5° |
| C12 | C13 | H2 | 108.6° | 109.5° |
| C12 | C13 | H3 | 108.7° | 109.5° |
| C13 | C12 | H4 | 108.3° | 109.5° |
| C13 | C12 | H5 | 108.3° | 109.5° |
| C12 | C11 | C10 | 113.2° | 109.5° |
| C11 | C12 | H4 | 108.3° | 109.5° |
| C11 | C12 | H5 | 108.3° | 109.5° |
| C12 | C11 | H6 | 108.6° | 109.5° |
| C12 | C11 | H7 | 108.6° | 109.5° |
| C11 | C10 | S | 114.2° | 109.5° |
| C10 | C11 | H6 | 108.5° | 109.5° |
| C10 | C11 | H7 | 108.5° | 109.5° |
| C11 | C10 | H8 | 108.3° | 109.5° |
| C11 | C10 | H9 | 108.3° | 109.5° |
| C10 | S | C9 | 102.1° | 103.0° |
| S | C10 | H8 | 108.3° | 109.5° |
| S | C10 | H9 | 108.3° | 109.4° |
| S | C9 | C8 | 110.1° | 109.5° |
| S | C9 | H10 | 109.3° | 109.5° |
| S | C9 | H11 | 109.3° | 109.5° |
| C9 | C8 | O2 | 110.2° | 109.9° |
| C9 | C8 | C7 | 116.4° | 109.9° |
| C9 | C8 | H1 | 107.6° | 110.0° |
| C8 | C9 | H10 | 109.3° | 109.5° |
| C8 | C9 | H11 | 109.3° | 109.5° |
| C4 | N3 | C3 | 103.7° | 109.4° |
| N3 | C4 | N4 | 114.0° | 110.0° |
| N3 | C4 | H25 | 123.0° | 125.0° |
| N3 | C3 | C | 132.7° | 134.6° |
| N3 | C3 | C2 | 110.6° | 107.2° |
| C4 | N4 | C5 | 127.7° | 126.3° |
| C4 | N4 | C2 | 105.5° | 107.5° |
| N4 | C4 | H25 | 123.0° | 125.0° |
| O2 | C8 | C7 | 106.4° | 107.3° |
| C8 | O2 | C5 | 110.2° | 107.0° |
| O2 | C8 | H1 | 108.6° | 109.9° |
| C8 | C7 | C6 | 103.4° | 104.1° |
| C8 | C7 | O1 | 109.8° | 110.5° |
| C7 | C8 | H1 | 107.5° | 109.8° |
| C8 | C7 | H22 | 109.3° | 110.4° |
| O2 | C5 | N4 | 107.6° | 110.7° |
| O2 | C5 | C6 | 106.3° | 103.5° |
| O2 | C5 | H24 | 109.3° | 110.6° |
| N | C | C3 | 124.4° | 120.8° |
| N | C | N1 | 118.1° | 120.8° |
| C | N | H31 | 109.5° | 120.0° |
| C | N | H32 | 109.5° | 120.0° |
| C | C3 | C2 | 116.7° | 118.2° |
| C3 | C | N1 | 117.4° | 118.4° |
| C3 | C2 | N4 | 105.9° | 106.0° |
| C3 | C2 | N2 | 126.8° | 119.1° |
| C6 | C7 | O1 | 113.8° | 110.5° |
| C7 | C6 | C5 | 101.4° | 102.1° |
| C7 | C6 | O | 108.5° | 110.9° |
| C6 | C7 | H22 | 109.3° | 110.5° |
| C7 | C6 | H23 | 110.6° | 110.9° |
| O1 | C7 | H22 | 110.9° | 110.6° |
| C7 | O1 | H28 | 109.5° | 114.0° |
| C5 | N4 | C2 | 124.7° | 126.2° |
| N4 | C5 | C6 | 117.1° | 110.6° |
| N4 | C5 | H24 | 108.6° | 110.6° |
| N4 | C2 | N2 | 127.4° | 135.0° |
| C5 | C6 | O | 112.8° | 110.9° |
| C5 | C6 | H23 | 110.7° | 110.9° |
| C6 | C5 | H24 | 107.8° | 110.6° |
| O | C6 | H23 | 112.3° | 110.8° |
| C6 | O | H29 | 109.5° | 113.9° |
| C | N1 | C1 | 118.7° | 121.2° |
| C2 | N2 | C1 | 111.4° | 120.6° |
| N1 | C1 | N2 | 128.8° | 122.5° |
| N1 | C1 | H30 | 115.6° | 118.8° |
| N2 | C1 | H30 | 115.6° | 118.7° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H31 | N | H32 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H21 | 180.0° | 179.2° |
| C18 | C17 | C16 | H20 | 180.0° | 179.5° |
| C17 | C18 | C19 | C20 | 173.0° | 179.5° |
| C17 | C18 | C19 | C26 | 2.4° | 0.5° |
| C18 | C17 | C16 | C15 | 0.6° | 0.5° |
| C18 | C17 | C16 | H19 | 179.4° | 179.5° |
| C19 | C18 | C17 | C16 | 1.8° | 0.8° |
| C18 | C19 | C20 | C25 | 41.7° | 0.0° |
| C18 | C19 | C20 | C26 | 175.3° | 179.9° |
| C18 | C19 | C20 | C21 | 134.8° | 180.0° |
| C18 | C19 | C26 | C15 | 0.6° | 0.0° |
| C18 | C19 | C26 | H13 | 179.4° | 179.8° |
| C19 | C18 | C17 | H20 | 178.1° | 179.7° |
| C17 | C16 | C15 | H19 | 180.0° | 179.9° |
| C17 | C16 | C15 | C26 | 2.4° | 0.0° |
| C17 | C16 | C15 | C14 | 174.0° | 180.0° |
| C16 | C17 | C18 | H21 | 178.1° | 180.0° |
| C25 | C24 | C23 | H16 | 180.0° | 179.5° |
| C24 | C25 | C20 | H12 | 180.0° | 179.8° |
| C25 | C24 | C23 | CL | 178.9° | 179.7° |
| C25 | C24 | C23 | C22 | 0.6° | 0.5° |
| C24 | C25 | C20 | C19 | 175.5° | 179.8° |
| C24 | C25 | C20 | C21 | 1.2° | 0.2° |
| C23 | C24 | C25 | C20 | 0.1° | 0.5° |
| C24 | C23 | CL | C22 | 178.3° | 179.8° |
| C24 | C23 | C22 | C21 | 0.3° | 0.3° |
| C23 | C24 | C25 | H12 | 179.9° | 179.7° |
| C24 | C23 | C22 | H15 | 179.7° | 179.7° |
| C25 | C20 | C19 | C21 | 176.6° | 180.0° |
| C25 | C20 | C19 | C26 | 133.5° | 180.0° |
| C25 | C20 | C21 | C22 | 2.2° | 0.0° |
| C25 | C20 | C21 | H14 | 177.9° | 179.9° |
| C20 | C25 | C24 | H16 | 179.8° | 180.0° |
| CL | C23 | C22 | C21 | 178.0° | 180.0° |
| CL | C23 | C22 | H15 | 2.0° | 0.1° |
| CL | C23 | C24 | H16 | 1.1° | 0.2° |
| C23 | C22 | C21 | C20 | 1.7° | 0.0° |
| C23 | C22 | C21 | H15 | 180.0° | 180.0° |
| C23 | C22 | C21 | H14 | 178.3° | 179.9° |
| C22 | C23 | C24 | H16 | 179.3° | 179.9° |
| C19 | C20 | C21 | C22 | 174.5° | 180.0° |
| C20 | C19 | C26 | C15 | 174.8° | 180.0° |
| C19 | C20 | C25 | H12 | 4.5° | 0.0° |
| C20 | C19 | C26 | H13 | 5.2° | 0.2° |
| C19 | C20 | C21 | H14 | 5.5° | 0.1° |
| C20 | C19 | C18 | H21 | 7.0° | 0.3° |
| C26 | C19 | C20 | C21 | 49.9° | 0.0° |
| C19 | C26 | C15 | C16 | 1.7° | 0.3° |
| C19 | C26 | C15 | H13 | 180.0° | 179.8° |
| C19 | C26 | C15 | C14 | 174.6° | 179.8° |
| C26 | C19 | C18 | H21 | 177.6° | 179.7° |
| C20 | C21 | C22 | H14 | 180.0° | 179.9° |
| C21 | C20 | C25 | H12 | 178.8° | 180.0° |
| C20 | C21 | C22 | H15 | 178.3° | 180.0° |
| C16 | C15 | C26 | C14 | 176.4° | 179.9° |
| C16 | C15 | C14 | N5 | 142.8° | 89.9° |
| C16 | C15 | C26 | H13 | 178.2° | 180.0° |
| C16 | C15 | C14 | H17 | 22.3° | 30.1° |
| C16 | C15 | C14 | H18 | 96.6° | 150.1° |
| C15 | C16 | C17 | H20 | 179.4° | 180.0° |
| C26 | C15 | C14 | N5 | 33.5° | 90.0° |
| C26 | C15 | C14 | H17 | 154.0° | 150.0° |
| C26 | C15 | C14 | H18 | 87.1° | 30.0° |
| C26 | C15 | C16 | H19 | 177.6° | 180.0° |
| C15 | C14 | N5 | H17 | 120.5° | 120.0° |
| C15 | C14 | N5 | H18 | 120.5° | 120.0° |
| C15 | C14 | N5 | C13 | 124.9° | 180.0° |
| C14 | C15 | C26 | H13 | 5.4° | 0.0° |
| C15 | C14 | H17 | H18 | 118.3° | 119.9° |
| C14 | C15 | C16 | H19 | 6.0° | 0.1° |
| C15 | C14 | N5 | H26 | 114.6° | 56.0° |
| C14 | N5 | C13 | H26 | 120.5° | 124.0° |
| C14 | N5 | C13 | C12 | 110.6° | 180.0° |
| C14 | N5 | C13 | H2 | 129.0° | 60.0° |
| C14 | N5 | C13 | H3 | 9.9° | 60.0° |
| N5 | C14 | H17 | H18 | 118.4° | 120.0° |
| N5 | C13 | C12 | H2 | 120.5° | 120.0° |
| N5 | C13 | C12 | H3 | 120.5° | 120.0° |
| N5 | C13 | C12 | C11 | 159.5° | 180.0° |
| N5 | C13 | H2 | H3 | 118.5° | 120.0° |
| N5 | C13 | C12 | H4 | 79.9° | 60.0° |
| N5 | C13 | C12 | H5 | 38.8° | 60.0° |
| C13 | N5 | C14 | H17 | 4.3° | 60.0° |
| C13 | N5 | C14 | H18 | 114.6° | 60.0° |
| C13 | C12 | C11 | H4 | 120.7° | 120.0° |
| C13 | C12 | C11 | H5 | 120.7° | 120.0° |
| C13 | C12 | C11 | C10 | 56.4° | 180.0° |
| C12 | C13 | H2 | H3 | 118.6° | 120.0° |
| C13 | C12 | H4 | H5 | 117.9° | 120.0° |
| C13 | C12 | C11 | H6 | 64.1° | 60.0° |
| C13 | C12 | C11 | H7 | 177.0° | 60.0° |
| C12 | C13 | N5 | H26 | 9.9° | 56.1° |
| C12 | C11 | C10 | H6 | 120.6° | 120.0° |
| C12 | C11 | C10 | H7 | 120.6° | 120.0° |
| C12 | C11 | C10 | S | 130.9° | 180.0° |
| C11 | C12 | C13 | H2 | 39.0° | 60.0° |
| C11 | C12 | C13 | H3 | 80.1° | 60.0° |
| C11 | C12 | H4 | H5 | 117.9° | 120.0° |
| C12 | C11 | H6 | H7 | 118.3° | 120.0° |
| C12 | C11 | C10 | H8 | 10.2° | 60.0° |
| C12 | C11 | C10 | H9 | 108.4° | 60.0° |
| C11 | C10 | S | H8 | 120.7° | 120.1° |
| C11 | C10 | S | H9 | 120.7° | 120.0° |
| C11 | C10 | S | C9 | 79.8° | 180.0° |
| C10 | C11 | C12 | H4 | 177.1° | 60.0° |
| C10 | C11 | C12 | H5 | 64.2° | 60.0° |
| C10 | C11 | H6 | H7 | 118.3° | 120.0° |
| C11 | C10 | H8 | H9 | 117.8° | 120.0° |
| C10 | S | C9 | C8 | 158.2° | 180.0° |
| S | C10 | C11 | H6 | 108.6° | 60.0° |
| S | C10 | C11 | H7 | 10.3° | 60.0° |
| S | C10 | H8 | H9 | 117.9° | 119.9° |
| C10 | S | C9 | H10 | 38.1° | 60.0° |
| C10 | S | C9 | H11 | 81.7° | 60.0° |
| S | C9 | C8 | H10 | 120.1° | 120.0° |
| S | C9 | C8 | H11 | 120.1° | 120.0° |
| S | C9 | C8 | O2 | 60.1° | 66.5° |
| S | C9 | C8 | C7 | 61.1° | 175.7° |
| S | C9 | C8 | H1 | 178.3° | 54.7° |
| C9 | S | C10 | H8 | 40.9° | 59.9° |
| C9 | S | C10 | H9 | 159.5° | 60.0° |
| S | C9 | H10 | H11 | 119.7° | 120.0° |
| C9 | C8 | O2 | C7 | 126.9° | 119.4° |
| C9 | C8 | O2 | H1 | 117.7° | 121.2° |
| C9 | C8 | C7 | H1 | 120.7° | 121.1° |
| C9 | C8 | O2 | C5 | 127.7° | 145.9° |
| C9 | C8 | C7 | C6 | 102.4° | 121.5° |
| C9 | C8 | C7 | O1 | 135.8° | 119.8° |
| C8 | C9 | H10 | H11 | 119.7° | 120.0° |
| C9 | C8 | C7 | H22 | 13.9° | 2.8° |
| N3 | C4 | N4 | H25 | 180.0° | 180.0° |
| C4 | N3 | C3 | C | 177.7° | 180.0° |
| C4 | N3 | C3 | C2 | 1.8° | 0.1° |
| N3 | C4 | N4 | C5 | 159.6° | 179.9° |
| N3 | C4 | N4 | C2 | 4.3° | 0.2° |
| C3 | N3 | C4 | N4 | 1.6° | 0.1° |
| N3 | C3 | C | N | 7.4° | 0.1° |
| N3 | C3 | C | C2 | 179.5° | 179.9° |
| N3 | C3 | C2 | N4 | 4.4° | 0.2° |
| N3 | C3 | C | N1 | 176.0° | 180.0° |
| N3 | C3 | C2 | N2 | 175.9° | 180.0° |
| C3 | N3 | C4 | H25 | 178.4° | 179.9° |
| C4 | N4 | C5 | O2 | 63.3° | 19.2° |
| C4 | N4 | C2 | C3 | 5.0° | 0.3° |
| C4 | N4 | C5 | C2 | 161.0° | 179.8° |
| C4 | N4 | C5 | C6 | 56.2° | 94.9° |
| C4 | N4 | C2 | N2 | 175.3° | 180.0° |
| C4 | N4 | C5 | H24 | 178.5° | 142.1° |
| O2 | C8 | C7 | H1 | 116.2° | 119.4° |
| O2 | C8 | C7 | C6 | 20.7° | 2.0° |
| O2 | C8 | C7 | O1 | 101.1° | 120.7° |
| C8 | O2 | C5 | N4 | 148.5° | 158.6° |
| C8 | O2 | C5 | C6 | 22.3° | 40.1° |
| O2 | C8 | C9 | H10 | 179.8° | 173.5° |
| O2 | C8 | C9 | H11 | 60.0° | 53.5° |
| O2 | C8 | C7 | H22 | 137.1° | 116.6° |
| C8 | O2 | C5 | H24 | 93.8° | 78.4° |
| C7 | C8 | O2 | C5 | 0.8° | 26.5° |
| C8 | C7 | C6 | O1 | 119.1° | 118.7° |
| C8 | C7 | C6 | H22 | 116.4° | 118.6° |
| C8 | C7 | O1 | H22 | 120.9° | 122.6° |
| C8 | C7 | C6 | C5 | 32.5° | 20.9° |
| C8 | C7 | C6 | O | 151.4° | 139.1° |
| C7 | C8 | C9 | H10 | 59.0° | 55.7° |
| C7 | C8 | C9 | H11 | 178.8° | 64.3° |
| C8 | C7 | C6 | H23 | 85.0° | 97.3° |
| C8 | C7 | O1 | H28 | 180.0° | 180.0° |
| O2 | C5 | C6 | C7 | 34.1° | 37.0° |
| O2 | C5 | N4 | C6 | 119.5° | 114.1° |
| O2 | C5 | N4 | H24 | 118.2° | 123.0° |
| O2 | C5 | N4 | C2 | 97.7° | 160.6° |
| O2 | C5 | C6 | H24 | 117.1° | 118.5° |
| O2 | C5 | C6 | O | 149.9° | 155.2° |
| C5 | O2 | C8 | H1 | 114.6° | 92.8° |
| O2 | C5 | C6 | H23 | 83.3° | 81.2° |
| N | C | C3 | N1 | 176.5° | 179.9° |
| N | C | C3 | C2 | 172.1° | 180.0° |
| N | C | N1 | C1 | 174.7° | 180.0° |
| C | N | H31 | H32 | 120.0° | 180.0° |
| C | C3 | C2 | N4 | 175.2° | 179.8° |
| C | C3 | C2 | N2 | 4.5° | 0.0° |
| C3 | C | N1 | C1 | 2.1° | 0.1° |
| C3 | C | N | H31 | 176.5° | 0.1° |
| C3 | C | N | H32 | 56.5° | 180.0° |
| C3 | C2 | N4 | C5 | 159.5° | 179.9° |
| C3 | C2 | N4 | N2 | 179.7° | 179.8° |
| C2 | C3 | C | N1 | 4.5° | 0.1° |
| C3 | C2 | N2 | C1 | 1.5° | 0.0° |
| C6 | C7 | O1 | H22 | 123.7° | 122.7° |
| C7 | C6 | C5 | N4 | 154.3° | 155.7° |
| C7 | C6 | C5 | O | 115.8° | 118.2° |
| C7 | C6 | C5 | H23 | 117.4° | 118.2° |
| C7 | C6 | O | H23 | 122.6° | 123.7° |
| C6 | C7 | C8 | H1 | 136.9° | 117.4° |
| C7 | C6 | C5 | H24 | 83.0° | 81.5° |
| C6 | C7 | O1 | H28 | 64.6° | 65.2° |
| C7 | C6 | O | H29 | 180.0° | 61.5° |
| O1 | C7 | C6 | C5 | 86.7° | 97.8° |
| O1 | C7 | C6 | O | 32.3° | 20.4° |
| O1 | C7 | C8 | H1 | 15.1° | 1.3° |
| O1 | C7 | C6 | H23 | 155.9° | 144.0° |
| N4 | C5 | C6 | H24 | 122.7° | 122.9° |
| N4 | C5 | C6 | O | 89.9° | 86.1° |
| C5 | N4 | C2 | N2 | 20.2° | 0.2° |
| N4 | C5 | C6 | H23 | 36.9° | 37.4° |
| C5 | N4 | C4 | H25 | 20.4° | 0.1° |
| C2 | N4 | C5 | C6 | 142.7° | 85.3° |
| N4 | C2 | N2 | C1 | 178.1° | 179.8° |
| C2 | N4 | C5 | H24 | 20.5° | 37.7° |
| C2 | N4 | C4 | H25 | 175.7° | 179.8° |
| C5 | C6 | O | H23 | 126.0° | 123.6° |
| C5 | C6 | C7 | H22 | 148.8° | 139.5° |
| C5 | C6 | O | H29 | 68.5° | 174.2° |
| O | C6 | C7 | H22 | 92.2° | 102.3° |
| O | C6 | C5 | H24 | 32.8° | 36.7° |
| C | N1 | C1 | N2 | 1.0° | 0.1° |
| C | N1 | C1 | H30 | 179.0° | 180.0° |
| N1 | C | N | H31 | 0.0° | 180.0° |
| N1 | C | N | H32 | 120.0° | 0.1° |
| C2 | N2 | C1 | N1 | 1.4° | 0.0° |
| C2 | N2 | C1 | H30 | 178.6° | 180.0° |
| N1 | C1 | N2 | H30 | 180.0° | 179.9° |
| H1 | C8 | C9 | H10 | 61.6° | 65.4° |
| H1 | C8 | C9 | H11 | 58.2° | 174.7° |
| H1 | C8 | C7 | H22 | 106.8° | 124.0° |
| H2 | C13 | C12 | H4 | 159.7° | 60.0° |
| H2 | C13 | C12 | H5 | 81.7° | 180.0° |
| H2 | C13 | N5 | H26 | 110.5° | 63.9° |
| H3 | C13 | C12 | H4 | 40.6° | 180.0° |
| H3 | C13 | C12 | H5 | 159.2° | 60.0° |
| H3 | C13 | N5 | H26 | 130.4° | 176.1° |
| H4 | C12 | C11 | H6 | 56.6° | 180.0° |
| H4 | C12 | C11 | H7 | 62.3° | 60.0° |
| H5 | C12 | C11 | H6 | 175.2° | 60.0° |
| H5 | C12 | C11 | H7 | 56.3° | 180.0° |
| H6 | C11 | C10 | H8 | 130.7° | 180.0° |
| H6 | C11 | C10 | H9 | 12.1° | 60.0° |
| H7 | C11 | C10 | H8 | 110.4° | 60.0° |
| H7 | C11 | C10 | H9 | 131.0° | 180.0° |
| H12 | C25 | C24 | H16 | 0.2° | 0.2° |
| H14 | C21 | C22 | H15 | 1.7° | 0.1° |
| H17 | C14 | N5 | H26 | 124.9° | 176.0° |
| H18 | C14 | N5 | H26 | 5.9° | 63.9° |
| H19 | C16 | C17 | H20 | 0.6° | 0.0° |
| H20 | C17 | C18 | H21 | 1.9° | 0.5° |
| H22 | C7 | C6 | H23 | 31.4° | 21.3° |
| H22 | C7 | O1 | H28 | 59.1° | 57.4° |
| H23 | C6 | C5 | H24 | 159.6° | 160.3° |
| H23 | C6 | O | H29 | 57.5° | 62.2° |
