MIJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.40Å | 1.39Å | |
| C12 | C11 | doub | 1.35Å | 1.35Å | |
| C13 | C9 | doub | 1.37Å | 1.40Å | |
| C11 | N2 | sing | 1.36Å | 1.37Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C8 | doub | 1.21Å | 1.23Å | |
| C9 | N1 | sing | 1.40Å | 1.42Å | |
| C9 | C10 | sing | 1.41Å | 1.39Å | |
| C22 | C20 | sing | 1.53Å | 1.50Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| N2 | C10 | sing | 1.35Å | 1.38Å | |
| N2 | C14 | sing | 1.46Å | 1.47Å | |
| C8 | N1 | sing | 1.35Å | 1.35Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.53Å | 1.52Å | |
| O3 | C15 | doub | 1.21Å | 1.23Å | |
| C10 | O2 | doub | 1.22Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| C28 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C18 | sing | 1.35Å | 1.32Å | |
| O4 | C17 | sing | 1.43Å | 1.43Å | |
| N3 | C16 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.54Å | 1.55Å | |
| C25 | C24 | sing | 1.55Å | 1.53Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C18 | O5 | doub | 1.21Å | 1.24Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C23 | sing | 1.53Å | 1.53Å | |
| C26 | N5 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C27 | sing | 1.51Å | 1.52Å | |
| N5 | C27 | sing | 1.34Å | 1.33Å | |
| C27 | O6 | doub | 1.21Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C12 | C13 | C9 | 119.2° | 119.2° |
| C12 | C13 | H7 | 120.4° | 120.4° |
| C13 | C12 | H24 | 120.2° | 120.0° |
| C12 | C11 | N2 | 121.1° | 120.8° |
| C12 | C11 | H23 | 119.4° | 119.5° |
| C11 | C12 | H24 | 120.2° | 120.0° |
| C13 | C9 | N1 | 124.3° | 120.4° |
| C13 | C9 | C10 | 121.3° | 119.2° |
| C9 | C13 | H7 | 120.4° | 120.4° |
| C11 | N2 | C10 | 122.1° | 120.8° |
| C11 | N2 | C14 | 120.3° | 119.6° |
| N2 | C11 | H23 | 119.5° | 119.6° |
| C6 | C1 | C2 | 120.3° | 120.0° |
| C1 | C6 | C5 | 120.6° | 120.0° |
| C1 | C6 | H4 | 119.7° | 120.0° |
| C6 | C1 | H20 | 119.8° | 119.9° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C2 | C1 | H20 | 119.9° | 120.0° |
| C1 | C2 | H21 | 120.1° | 120.0° |
| C6 | C5 | C7 | 120.7° | 120.0° |
| C6 | C5 | C4 | 118.5° | 120.0° |
| C5 | C6 | H4 | 119.7° | 119.9° |
| O1 | C8 | N1 | 123.0° | 120.0° |
| O1 | C8 | C7 | 123.2° | 120.0° |
| N1 | C9 | C10 | 114.3° | 120.4° |
| C9 | N1 | C8 | 129.6° | 120.0° |
| C9 | N1 | H1 | 115.2° | 120.0° |
| C9 | C10 | N2 | 116.6° | 119.9° |
| C9 | C10 | O2 | 125.2° | 120.0° |
| C20 | C22 | C21 | 59.8° | 60.0° |
| C22 | C20 | C19 | 120.5° | 117.5° |
| C22 | C20 | C21 | 60.1° | 60.1° |
| C22 | C20 | H9 | 115.1° | 117.5° |
| C20 | C22 | H12 | 120.0° | 117.5° |
| C20 | C22 | H13 | 120.1° | 117.5° |
| C22 | C21 | C20 | 60.1° | 60.0° |
| C22 | C21 | H10 | 120.0° | 117.5° |
| C22 | C21 | H11 | 120.0° | 117.5° |
| C21 | C22 | H12 | 120.0° | 117.5° |
| C21 | C22 | H13 | 120.1° | 117.5° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C3 | C2 | H21 | 120.1° | 120.0° |
| C2 | C3 | H22 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.0° | 117.5° |
| C20 | C19 | C14 | 110.7° | 109.4° |
| C19 | C20 | H9 | 115.0° | 115.6° |
| C20 | C19 | H28 | 109.2° | 109.5° |
| C20 | C19 | H29 | 109.1° | 109.5° |
| C21 | C20 | H9 | 115.2° | 117.5° |
| C20 | C21 | H10 | 120.0° | 117.5° |
| C20 | C21 | H11 | 120.0° | 117.5° |
| C10 | N2 | C14 | 117.5° | 119.6° |
| N2 | C10 | O2 | 118.2° | 120.0° |
| N2 | C14 | C19 | 112.4° | 109.5° |
| N2 | C14 | C15 | 109.5° | 109.5° |
| N2 | C14 | H25 | 108.0° | 109.5° |
| N1 | C8 | C7 | 113.8° | 120.0° |
| C8 | N1 | H1 | 115.2° | 120.0° |
| C8 | C7 | C5 | 112.7° | 109.5° |
| C8 | C7 | H5 | 108.7° | 109.5° |
| C8 | C7 | H6 | 108.6° | 109.5° |
| C7 | C5 | C4 | 120.8° | 120.0° |
| C5 | C7 | H5 | 108.7° | 109.5° |
| C5 | C7 | H6 | 108.7° | 109.5° |
| C5 | C4 | C3 | 120.8° | 120.0° |
| C5 | C4 | H3 | 119.6° | 120.0° |
| C19 | C14 | C15 | 111.7° | 109.5° |
| C19 | C14 | H25 | 107.4° | 109.5° |
| C14 | C19 | H28 | 109.2° | 109.4° |
| C14 | C19 | H29 | 109.2° | 109.5° |
| O3 | C15 | C14 | 119.4° | 120.0° |
| O3 | C15 | N3 | 122.5° | 120.0° |
| C14 | C15 | N3 | 118.1° | 120.0° |
| C15 | C14 | H25 | 107.5° | 109.4° |
| C3 | C4 | H3 | 119.6° | 120.0° |
| C4 | C3 | H22 | 120.0° | 120.0° |
| C15 | N3 | C16 | 122.9° | 120.0° |
| C15 | N3 | H2 | 118.6° | 120.0° |
| C28 | N4 | C18 | 122.6° | 120.0° |
| N4 | C28 | H17 | 109.5° | 109.5° |
| N4 | C28 | H18 | 109.5° | 109.5° |
| N4 | C28 | H19 | 109.5° | 109.5° |
| C28 | N4 | H27 | 118.7° | 120.0° |
| N4 | C18 | C17 | 115.0° | 120.0° |
| N4 | C18 | O5 | 124.4° | 120.0° |
| C18 | N4 | H27 | 118.7° | 120.0° |
| O4 | C17 | C18 | 108.3° | 109.4° |
| O4 | C17 | C16 | 107.8° | 109.5° |
| O4 | C17 | H8 | 109.9° | 109.5° |
| C17 | O4 | H32 | 109.5° | 114.0° |
| N3 | C16 | C17 | 106.9° | 109.4° |
| N3 | C16 | C23 | 110.7° | 109.5° |
| C16 | N3 | H2 | 118.6° | 120.0° |
| N3 | C16 | H26 | 108.4° | 109.5° |
| C26 | C25 | C24 | 105.5° | 101.7° |
| C25 | C26 | N5 | 103.8° | 105.5° |
| C25 | C26 | H15 | 110.9° | 110.3° |
| C25 | C26 | H16 | 110.9° | 110.3° |
| C26 | C25 | H33 | 110.4° | 110.9° |
| C26 | C25 | H34 | 110.4° | 111.0° |
| C25 | C24 | C23 | 116.1° | 110.5° |
| C25 | C24 | C27 | 103.8° | 104.2° |
| C25 | C24 | H14 | 107.5° | 110.6° |
| C24 | C25 | H33 | 110.5° | 111.0° |
| C24 | C25 | H34 | 110.5° | 111.0° |
| C17 | C18 | O5 | 120.5° | 120.0° |
| C18 | C17 | C16 | 113.6° | 109.4° |
| C18 | C17 | H8 | 108.7° | 109.4° |
| C17 | C16 | C23 | 115.8° | 109.5° |
| C16 | C17 | H8 | 108.4° | 109.5° |
| C17 | C16 | H26 | 107.3° | 109.5° |
| C16 | C23 | C24 | 110.3° | 109.5° |
| C23 | C16 | H26 | 107.5° | 109.5° |
| C16 | C23 | H30 | 109.3° | 109.5° |
| C16 | C23 | H31 | 109.2° | 109.5° |
| C26 | N5 | C27 | 114.1° | 111.2° |
| N5 | C26 | H15 | 110.9° | 110.2° |
| N5 | C26 | H16 | 110.9° | 110.2° |
| C26 | N5 | H35 | 122.9° | 124.4° |
| C23 | C24 | C27 | 114.0° | 110.5° |
| C23 | C24 | H14 | 107.5° | 110.4° |
| C24 | C23 | H30 | 109.2° | 109.5° |
| C24 | C23 | H31 | 109.3° | 109.4° |
| C24 | C27 | N5 | 109.9° | 110.2° |
| C24 | C27 | O6 | 124.7° | 125.0° |
| C27 | C24 | H14 | 107.6° | 110.5° |
| N5 | C27 | O6 | 125.3° | 124.9° |
| C27 | N5 | H35 | 122.9° | 124.4° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H10 | C21 | H11 | 109.5° | 115.6° |
| H12 | C22 | H13 | 109.5° | 115.6° |
| H15 | C26 | H16 | 109.4° | 110.2° |
| H17 | C28 | H18 | 109.4° | 109.4° |
| H17 | C28 | H19 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H24 | 180.0° | 179.8° |
| C12 | C13 | C9 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | N2 | 1.7° | 0.3° |
| C12 | C13 | C9 | N1 | 179.8° | 180.0° |
| C12 | C13 | C9 | C10 | 2.8° | 0.0° |
| C13 | C12 | C11 | H23 | 178.3° | 179.8° |
| C11 | C12 | C13 | C9 | 1.4° | 0.2° |
| C12 | C11 | N2 | H23 | 180.0° | 180.0° |
| C12 | C11 | N2 | C10 | 3.4° | 0.0° |
| C12 | C11 | N2 | C14 | 179.6° | 180.0° |
| C11 | C12 | C13 | H7 | 178.6° | 179.8° |
| C13 | C9 | N1 | C10 | 177.1° | 180.0° |
| C13 | C9 | C10 | N2 | 1.2° | 0.2° |
| C13 | C9 | N1 | C8 | 31.8° | 120.9° |
| C13 | C9 | C10 | O2 | 179.3° | 180.0° |
| C13 | C9 | N1 | H1 | 148.2° | 59.4° |
| C9 | C13 | C12 | H24 | 178.6° | 180.0° |
| C11 | N2 | C10 | C9 | 1.9° | 0.2° |
| C11 | N2 | C10 | C14 | 176.3° | 180.0° |
| C11 | N2 | C14 | C19 | 38.9° | 60.0° |
| C11 | N2 | C10 | O2 | 177.6° | 180.0° |
| C11 | N2 | C14 | C15 | 85.9° | 60.0° |
| N2 | C11 | C12 | H24 | 178.3° | 180.0° |
| C11 | N2 | C14 | H25 | 157.3° | 179.9° |
| C6 | C1 | C2 | H20 | 180.0° | 180.0° |
| C1 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.3° |
| C1 | C6 | C5 | C7 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | C2 | H21 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | H21 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.7° | 0.7° |
| C2 | C1 | C6 | H4 | 179.7° | 180.0° |
| C1 | C2 | C3 | H22 | 179.2° | 180.0° |
| C6 | C5 | C7 | C8 | 109.5° | 90.0° |
| C6 | C5 | C7 | C4 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.4° |
| C6 | C5 | C4 | H3 | 179.6° | 180.0° |
| C6 | C5 | C7 | H5 | 11.0° | 30.0° |
| C6 | C5 | C7 | H6 | 130.0° | 150.0° |
| C5 | C6 | C1 | H20 | 179.8° | 180.0° |
| O1 | C8 | N1 | C9 | 36.1° | 4.4° |
| O1 | C8 | N1 | C7 | 179.6° | 180.0° |
| O1 | C8 | C7 | C5 | 9.8° | 0.0° |
| O1 | C8 | N1 | H1 | 143.9° | 175.3° |
| O1 | C8 | C7 | H5 | 110.7° | 120.0° |
| O1 | C8 | C7 | H6 | 130.3° | 120.0° |
| N1 | C9 | C10 | N2 | 178.4° | 179.8° |
| C9 | N1 | C8 | H1 | 180.0° | 179.7° |
| C9 | N1 | C8 | C7 | 144.4° | 175.6° |
| N1 | C9 | C10 | O2 | 2.1° | 0.0° |
| N1 | C9 | C13 | H7 | 0.2° | 0.0° |
| C9 | C10 | N2 | O2 | 179.6° | 179.8° |
| C9 | C10 | N2 | C14 | 178.2° | 179.8° |
| C10 | C9 | N1 | C8 | 151.0° | 59.0° |
| C10 | C9 | N1 | H1 | 28.9° | 120.6° |
| C10 | C9 | C13 | H7 | 177.1° | 180.0° |
| C20 | C22 | C21 | H12 | 109.4° | 107.5° |
| C20 | C22 | C21 | H13 | 109.4° | 107.5° |
| C22 | C20 | C19 | C21 | 70.9° | 68.7° |
| C22 | C20 | C19 | H9 | 144.8° | 145.7° |
| C22 | C20 | C21 | H9 | 105.6° | 107.5° |
| C22 | C20 | C19 | C14 | 157.0° | 116.3° |
| C20 | C22 | C21 | H10 | 109.5° | 107.5° |
| C20 | C22 | C21 | H11 | 109.5° | 107.5° |
| C20 | C22 | H12 | H13 | 144.9° | 145.8° |
| C22 | C20 | C19 | H28 | 36.7° | 123.7° |
| C22 | C20 | C19 | H29 | 82.8° | 3.7° |
| C22 | C21 | H10 | H11 | 144.7° | 145.7° |
| C21 | C22 | H12 | H13 | 144.8° | 145.6° |
| C2 | C3 | C4 | C5 | 0.7° | 0.7° |
| C2 | C3 | C4 | H22 | 180.0° | 179.3° |
| C2 | C3 | C4 | H3 | 179.3° | 179.6° |
| C3 | C2 | C1 | H20 | 179.5° | 179.7° |
| C19 | C20 | C21 | H9 | 144.3° | 145.0° |
| C20 | C19 | C14 | N2 | 55.4° | 65.0° |
| C20 | C19 | C14 | H28 | 120.2° | 120.0° |
| C20 | C19 | C14 | H29 | 120.2° | 120.0° |
| C20 | C19 | C14 | C15 | 179.0° | 175.0° |
| C19 | C20 | C21 | H10 | 140.4° | 0.0° |
| C19 | C20 | C21 | H11 | 0.6° | 145.0° |
| C19 | C20 | C22 | H12 | 141.3° | 145.1° |
| C19 | C20 | C22 | H13 | 0.1° | 0.1° |
| C20 | C19 | C14 | H25 | 63.4° | 55.1° |
| C20 | C19 | H28 | H29 | 119.4° | 120.0° |
| C21 | C20 | C19 | C14 | 86.1° | 175.0° |
| C20 | C21 | H10 | H11 | 144.7° | 145.7° |
| C21 | C20 | C19 | H28 | 34.1° | 55.0° |
| C21 | C20 | C19 | H29 | 153.7° | 65.0° |
| C10 | N2 | C14 | C19 | 144.7° | 120.0° |
| C10 | N2 | C14 | C15 | 90.4° | 120.0° |
| C10 | N2 | C11 | H23 | 176.6° | 180.0° |
| C10 | N2 | C14 | H25 | 26.4° | 0.1° |
| N2 | C14 | C19 | C15 | 123.6° | 120.0° |
| N2 | C14 | C19 | H25 | 118.7° | 120.1° |
| N2 | C14 | C15 | O3 | 31.2° | 0.1° |
| C14 | N2 | C10 | O2 | 1.4° | 0.0° |
| N2 | C14 | C15 | H25 | 117.2° | 120.0° |
| N2 | C14 | C15 | N3 | 149.7° | 180.0° |
| C14 | N2 | C11 | H23 | 0.4° | 0.0° |
| N2 | C14 | C19 | H28 | 175.6° | 175.0° |
| N2 | C14 | C19 | H29 | 64.8° | 55.0° |
| N1 | C8 | C7 | C5 | 169.7° | 180.0° |
| N1 | C8 | C7 | H5 | 69.8° | 60.0° |
| N1 | C8 | C7 | H6 | 49.3° | 60.0° |
| C8 | C7 | C5 | H5 | 120.5° | 120.0° |
| C8 | C7 | C5 | H6 | 120.5° | 120.0° |
| C8 | C7 | C5 | C4 | 70.1° | 90.0° |
| C7 | C8 | N1 | H1 | 35.7° | 4.7° |
| C8 | C7 | H5 | H6 | 118.5° | 120.0° |
| C7 | C5 | C4 | C3 | 179.3° | 179.7° |
| C7 | C5 | C4 | H3 | 0.7° | 0.0° |
| C7 | C5 | C6 | H4 | 0.5° | 0.0° |
| C5 | C7 | H5 | H6 | 118.5° | 120.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.6° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C4 | C5 | C7 | H5 | 169.4° | 150.0° |
| C4 | C5 | C7 | H6 | 50.4° | 30.0° |
| C5 | C4 | C3 | H22 | 179.3° | 180.0° |
| C19 | C14 | C15 | O3 | 94.0° | 120.0° |
| C19 | C14 | C15 | H25 | 117.6° | 120.0° |
| C19 | C14 | C15 | N3 | 85.1° | 60.0° |
| C14 | C19 | C20 | H9 | 58.2° | 29.3° |
| C14 | C19 | H28 | H29 | 119.5° | 120.0° |
| O3 | C15 | C14 | N3 | 179.2° | 179.9° |
| O3 | C15 | N3 | C16 | 8.3° | 0.1° |
| O3 | C15 | N3 | H2 | 171.7° | 180.0° |
| O3 | C15 | C14 | H25 | 148.3° | 120.0° |
| C14 | C15 | N3 | C16 | 170.8° | 180.0° |
| C14 | C15 | N3 | H2 | 9.2° | 0.1° |
| C15 | C14 | C19 | H28 | 60.8° | 55.0° |
| C15 | C14 | C19 | H29 | 58.8° | 65.0° |
| C4 | C3 | C2 | H21 | 179.2° | 179.6° |
| C15 | N3 | C16 | H2 | 180.0° | 179.9° |
| C15 | N3 | C16 | C17 | 112.6° | 85.1° |
| C15 | N3 | C16 | C23 | 120.5° | 155.0° |
| N3 | C15 | C14 | H25 | 32.5° | 60.1° |
| C15 | N3 | C16 | H26 | 2.8° | 35.0° |
| C28 | N4 | C18 | H27 | 180.0° | 179.9° |
| C28 | N4 | C18 | C17 | 171.8° | 174.9° |
| C28 | N4 | C18 | O5 | 7.9° | 5.1° |
| N4 | C28 | H17 | H18 | 120.0° | 120.0° |
| N4 | C28 | H17 | H19 | 120.0° | 120.0° |
| N4 | C28 | H18 | H19 | 120.0° | 120.0° |
| N4 | C18 | C17 | O4 | 3.4° | 10.3° |
| N4 | C18 | C17 | O5 | 179.7° | 180.0° |
| N4 | C18 | C17 | C16 | 116.4° | 109.7° |
| N4 | C18 | C17 | H8 | 122.8° | 130.3° |
| C18 | N4 | C28 | H17 | 180.0° | 60.0° |
| C18 | N4 | C28 | H18 | 60.0° | 60.0° |
| C18 | N4 | C28 | H19 | 60.0° | 180.0° |
| O4 | C17 | C16 | N3 | 40.9° | 53.8° |
| O4 | C17 | C18 | C16 | 119.8° | 120.0° |
| O4 | C17 | C18 | H8 | 119.4° | 120.0° |
| O4 | C17 | C18 | O5 | 176.3° | 169.7° |
| O4 | C17 | C16 | H8 | 119.0° | 120.1° |
| O4 | C17 | C16 | C23 | 164.7° | 173.8° |
| O4 | C17 | C16 | H26 | 75.2° | 66.2° |
| N3 | C16 | C17 | C18 | 161.0° | 173.8° |
| N3 | C16 | C17 | C23 | 123.8° | 120.0° |
| N3 | C16 | C17 | H26 | 116.1° | 120.0° |
| N3 | C16 | C23 | H26 | 118.2° | 120.0° |
| N3 | C16 | C23 | C24 | 67.5° | 66.7° |
| N3 | C16 | C17 | H8 | 78.1° | 66.3° |
| N3 | C16 | C23 | H30 | 52.7° | 173.3° |
| N3 | C16 | C23 | H31 | 172.4° | 53.2° |
| C26 | C25 | C24 | H33 | 119.3° | 118.1° |
| C26 | C25 | C24 | H34 | 119.4° | 118.2° |
| C25 | C26 | N5 | H15 | 119.1° | 119.0° |
| C25 | C26 | N5 | H16 | 119.1° | 119.1° |
| C26 | C25 | C24 | C23 | 142.4° | 93.9° |
| C26 | C25 | C24 | C27 | 16.5° | 24.8° |
| C25 | C26 | N5 | C27 | 9.4° | 17.0° |
| C26 | C25 | C24 | H14 | 97.3° | 143.6° |
| C25 | C26 | H15 | H16 | 122.6° | 122.1° |
| C26 | C25 | H33 | H34 | 121.8° | 123.9° |
| C25 | C26 | N5 | H35 | 170.6° | 163.0° |
| C25 | C24 | C23 | C16 | 65.3° | 178.7° |
| C24 | C25 | C26 | N5 | 15.9° | 25.5° |
| C25 | C24 | C23 | C27 | 120.5° | 114.8° |
| C25 | C24 | C23 | H14 | 120.3° | 122.7° |
| C25 | C24 | C27 | H14 | 113.8° | 118.8° |
| C25 | C24 | C27 | N5 | 11.5° | 16.3° |
| C25 | C24 | C27 | O6 | 169.3° | 163.7° |
| C24 | C25 | C26 | H15 | 135.0° | 93.5° |
| C24 | C25 | C26 | H16 | 103.2° | 144.4° |
| C25 | C24 | C23 | H30 | 174.6° | 58.8° |
| C25 | C24 | C23 | H31 | 54.8° | 61.2° |
| C24 | C25 | H33 | H34 | 121.9° | 123.8° |
| C18 | C17 | C16 | H8 | 120.9° | 120.0° |
| C18 | C17 | C16 | C23 | 75.2° | 66.3° |
| C18 | C17 | C16 | H26 | 44.9° | 53.8° |
| C17 | C18 | N4 | H27 | 8.2° | 5.1° |
| C18 | C17 | O4 | H32 | 180.0° | 179.9° |
| O5 | C18 | C17 | C16 | 63.9° | 70.3° |
| O5 | C18 | C17 | H8 | 56.9° | 49.7° |
| O5 | C18 | N4 | H27 | 172.1° | 174.9° |
| C17 | C16 | C23 | H26 | 120.0° | 120.1° |
| C17 | C16 | C23 | C24 | 170.7° | 173.3° |
| C17 | C16 | N3 | H2 | 67.5° | 95.0° |
| C17 | C16 | C23 | H30 | 69.2° | 53.3° |
| C17 | C16 | C23 | H31 | 50.6° | 66.7° |
| C16 | C17 | O4 | H32 | 56.6° | 60.1° |
| C16 | C23 | C24 | H30 | 120.1° | 120.0° |
| C16 | C23 | C24 | H31 | 120.1° | 120.0° |
| C16 | C23 | C24 | C27 | 174.2° | 66.5° |
| C23 | C16 | N3 | H2 | 59.5° | 25.0° |
| C23 | C16 | C17 | H8 | 45.7° | 53.7° |
| C16 | C23 | C24 | H14 | 55.1° | 56.1° |
| C16 | C23 | H30 | H31 | 119.6° | 120.1° |
| C26 | N5 | C27 | C24 | 1.3° | 0.4° |
| C26 | N5 | C27 | H35 | 180.0° | 180.0° |
| C26 | N5 | C27 | O6 | 179.6° | 179.6° |
| N5 | C26 | H15 | H16 | 122.6° | 121.9° |
| N5 | C26 | C25 | H33 | 135.3° | 143.5° |
| N5 | C26 | C25 | H34 | 103.5° | 92.7° |
| C23 | C24 | C27 | H14 | 119.1° | 122.5° |
| C23 | C24 | C27 | N5 | 138.7° | 102.4° |
| C23 | C24 | C27 | O6 | 42.1° | 77.6° |
| C24 | C23 | C16 | H26 | 50.7° | 53.2° |
| C24 | C23 | H30 | H31 | 119.6° | 120.0° |
| C23 | C24 | C25 | H33 | 98.3° | 24.2° |
| C23 | C24 | C25 | H34 | 23.0° | 147.9° |
| C24 | C27 | N5 | O6 | 179.2° | 180.0° |
| C27 | C24 | C23 | H30 | 54.1° | 173.6° |
| C27 | C24 | C23 | H31 | 65.7° | 53.6° |
| C27 | C24 | C25 | H33 | 135.8° | 142.9° |
| C27 | C24 | C25 | H34 | 102.9° | 93.3° |
| C24 | C27 | N5 | H35 | 178.8° | 179.6° |
| N5 | C27 | C24 | H14 | 102.3° | 135.1° |
| C27 | N5 | C26 | H15 | 128.5° | 102.0° |
| C27 | N5 | C26 | H16 | 109.7° | 136.1° |
| O6 | C27 | C24 | H14 | 76.9° | 44.9° |
| O6 | C27 | N5 | H35 | 0.4° | 0.4° |
| H2 | N3 | C16 | H26 | 177.1° | 145.0° |
| H3 | C4 | C3 | H22 | 0.7° | 0.3° |
| H4 | C6 | C1 | H20 | 0.3° | 0.0° |
| H7 | C13 | C12 | H24 | 1.4° | 0.0° |
| H8 | C17 | C16 | H26 | 165.8° | 173.7° |
| H8 | C17 | O4 | H32 | 61.3° | 60.0° |
| H9 | C20 | C21 | H10 | 3.9° | 145.0° |
| H9 | C20 | C21 | H11 | 144.9° | 0.1° |
| H9 | C20 | C22 | H12 | 3.6° | 0.1° |
| H9 | C20 | C22 | H13 | 144.7° | 145.1° |
| H9 | C20 | C19 | H28 | 178.4° | 90.6° |
| H9 | C20 | C19 | H29 | 62.0° | 149.3° |
| H10 | C21 | C22 | H12 | 0.1° | 145.0° |
| H10 | C21 | C22 | H13 | 141.1° | 0.0° |
| H11 | C21 | C22 | H12 | 141.1° | 0.0° |
| H11 | C21 | C22 | H13 | 0.1° | 145.0° |
| H14 | C24 | C23 | H30 | 65.1° | 63.9° |
| H14 | C24 | C23 | H31 | 175.2° | 176.1° |
| H14 | C24 | C25 | H33 | 22.0° | 98.4° |
| H14 | C24 | C25 | H34 | 143.3° | 25.4° |
| H15 | C26 | C25 | H33 | 105.6° | 24.6° |
| H15 | C26 | C25 | H34 | 15.6° | 148.3° |
| H15 | C26 | N5 | H35 | 51.4° | 78.0° |
| H16 | C26 | C25 | H33 | 16.2° | 97.5° |
| H16 | C26 | C25 | H34 | 137.4° | 26.3° |
| H16 | C26 | N5 | H35 | 70.3° | 43.9° |
| H17 | C28 | H18 | H19 | 120.0° | 120.0° |
| H17 | C28 | N4 | H27 | 0.0° | 120.0° |
| H18 | C28 | N4 | H27 | 120.0° | 120.1° |
| H19 | C28 | N4 | H27 | 120.0° | 0.1° |
| H20 | C1 | C2 | H21 | 0.5° | 0.0° |
| H21 | C2 | C3 | H22 | 0.8° | 0.3° |
| H23 | C11 | C12 | H24 | 1.7° | 0.0° |
| H25 | C14 | C19 | H28 | 56.8° | 64.9° |
| H25 | C14 | C19 | H29 | 176.5° | 175.1° |
| H26 | C16 | C23 | H30 | 170.9° | 66.7° |
| H26 | C16 | C23 | H31 | 69.4° | 173.2° |
