BYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C8 | sing | 1.51Å | 1.50Å | |
| C14 | C9 | sing | 1.51Å | 1.51Å | |
| C16 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.54Å | 1.53Å | |
| C13 | C7 | sing | 1.50Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C7 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N3 | sing | 1.41Å | 1.41Å | |
| C6 | N4 | sing | 1.40Å | 1.39Å | |
| C11 | N3 | sing | 1.47Å | 1.50Å | |
| C11 | O2 | sing | 1.43Å | 1.44Å | |
| N3 | C3 | sing | 1.41Å | 1.40Å | |
| O4 | C19 | sing | 1.43Å | 1.42Å | |
| N4 | C18 | sing | 1.46Å | 1.46Å | |
| N4 | C4 | sing | 1.39Å | 1.40Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | |
| C3 | C2 | sing | 1.40Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C4 | N2 | sing | 1.34Å | 1.35Å | |
| O3 | C2 | doub | 1.22Å | 1.24Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | O5 | sing | 1.43Å | 1.43Å | |
| C2 | N1 | sing | 1.35Å | 1.37Å | |
| C21 | O6 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| N2 | C1 | doub | 1.31Å | 1.30Å | |
| O7 | C22 | sing | 1.43Å | 1.45Å | |
| O7 | P1 | sing | 1.61Å | 1.62Å | |
| N1 | C1 | sing | 1.36Å | 1.34Å | |
| C1 | O1 | sing | 1.35Å | 1.34Å | |
| O8 | P1 | doub | 1.48Å | 1.52Å | |
| P1 | O9 | sing | 1.61Å | 1.52Å | |
| P1 | O10 | sing | 1.61Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| O4 | H27 | sing | 0.97Å | 0.95Å | |
| O5 | H28 | sing | 0.97Å | 0.95Å | |
| O6 | H29 | sing | 0.97Å | 0.95Å | |
| O9 | H30 | sing | 0.97Å | 0.95Å | |
| O10 | H31 | sing | 0.97Å | 0.95Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C8 | C9 | 120.7° | 115.1° |
| C15 | C8 | C7 | 118.4° | 124.2° |
| C8 | C15 | H10 | 109.5° | 109.5° |
| C8 | C15 | H11 | 109.5° | 109.4° |
| C8 | C15 | H12 | 109.4° | 109.5° |
| C14 | C9 | C8 | 120.1° | 119.0° |
| C14 | C9 | C10 | 120.0° | 119.8° |
| C9 | C14 | H7 | 109.5° | 109.4° |
| C9 | C14 | H8 | 109.5° | 109.4° |
| C9 | C14 | H9 | 109.5° | 109.4° |
| C16 | C13 | C17 | 107.6° | 108.7° |
| C16 | C13 | C7 | 113.8° | 111.2° |
| C16 | C13 | C12 | 109.5° | 108.6° |
| C13 | C16 | H14 | 109.5° | 109.5° |
| C13 | C16 | H15 | 109.5° | 109.4° |
| C13 | C16 | H16 | 109.5° | 109.5° |
| C9 | C8 | C7 | 121.0° | 120.7° |
| C8 | C9 | C10 | 119.9° | 121.2° |
| C8 | C7 | C13 | 124.3° | 122.1° |
| C8 | C7 | C5 | 119.8° | 117.7° |
| C9 | C10 | C6 | 119.7° | 119.0° |
| C9 | C10 | H3 | 120.2° | 119.3° |
| C17 | C13 | C7 | 109.9° | 109.6° |
| C17 | C13 | C12 | 109.3° | 105.3° |
| C13 | C17 | H17 | 109.5° | 109.5° |
| C13 | C17 | H18 | 109.5° | 109.5° |
| C13 | C17 | H19 | 109.5° | 109.5° |
| C7 | C13 | C12 | 106.7° | 113.2° |
| C13 | C7 | C5 | 115.9° | 120.1° |
| C13 | C12 | C11 | 110.0° | 110.7° |
| C13 | C12 | H5 | 109.4° | 109.0° |
| C13 | C12 | H6 | 109.3° | 109.1° |
| C7 | C5 | C6 | 120.1° | 121.6° |
| C7 | C5 | N3 | 119.2° | 121.0° |
| C10 | C6 | C5 | 119.5° | 119.7° |
| C10 | C6 | N4 | 121.9° | 120.8° |
| C6 | C10 | H3 | 120.2° | 121.7° |
| C12 | C11 | N3 | 110.9° | 105.6° |
| C12 | C11 | O2 | 108.2° | 111.6° |
| C12 | C11 | H4 | 108.2° | 109.8° |
| C11 | C12 | H5 | 109.3° | 109.6° |
| C11 | C12 | H6 | 109.3° | 109.6° |
| C6 | C5 | N3 | 120.6° | 117.4° |
| C5 | C6 | N4 | 118.6° | 119.5° |
| C5 | N3 | C11 | 122.8° | 117.7° |
| C5 | N3 | C3 | 117.7° | 120.0° |
| C6 | N4 | C18 | 121.2° | 121.1° |
| C6 | N4 | C4 | 119.4° | 119.6° |
| N3 | C11 | O2 | 111.6° | 110.1° |
| C11 | N3 | C3 | 119.0° | 122.3° |
| N3 | C11 | H4 | 108.6° | 110.7° |
| O2 | C11 | H4 | 109.3° | 108.9° |
| C11 | O2 | H13 | 109.5° | 114.0° |
| N3 | C3 | C4 | 119.0° | 118.5° |
| N3 | C3 | C2 | 122.4° | 123.1° |
| O4 | C19 | C18 | 109.4° | 109.5° |
| O4 | C19 | C20 | 109.9° | 109.5° |
| O4 | C19 | H22 | 110.5° | 109.5° |
| C19 | O4 | H27 | 109.5° | 114.0° |
| C18 | N4 | C4 | 119.4° | 119.3° |
| N4 | C18 | C19 | 113.5° | 109.5° |
| N4 | C18 | H20 | 108.5° | 109.5° |
| N4 | C18 | H21 | 108.5° | 109.4° |
| N4 | C4 | C3 | 120.0° | 119.1° |
| N4 | C4 | N2 | 118.2° | 120.8° |
| C18 | C19 | C20 | 109.3° | 109.4° |
| C19 | C18 | H20 | 108.4° | 109.5° |
| C19 | C18 | H21 | 108.5° | 109.5° |
| C18 | C19 | H22 | 108.9° | 109.5° |
| C4 | C3 | C2 | 118.5° | 118.4° |
| C3 | C4 | N2 | 121.8° | 120.1° |
| C3 | C2 | O3 | 126.2° | 122.0° |
| C3 | C2 | N1 | 116.1° | 118.7° |
| C19 | C20 | C21 | 114.3° | 109.5° |
| C19 | C20 | O5 | 109.3° | 109.5° |
| C20 | C19 | H22 | 108.9° | 109.5° |
| C19 | C20 | H23 | 107.4° | 109.5° |
| C4 | N2 | C1 | 117.7° | 121.0° |
| O3 | C2 | N1 | 117.7° | 119.3° |
| C21 | C20 | O5 | 109.5° | 109.4° |
| C20 | C21 | O6 | 109.9° | 109.5° |
| C20 | C21 | C22 | 113.4° | 109.5° |
| C21 | C20 | H23 | 107.4° | 109.5° |
| C20 | C21 | H24 | 107.4° | 109.4° |
| O5 | C20 | H23 | 108.8° | 109.5° |
| C20 | O5 | H28 | 109.5° | 114.0° |
| C2 | N1 | C1 | 121.1° | 120.4° |
| C2 | N1 | H1 | 119.5° | 119.6° |
| O6 | C21 | C22 | 109.7° | 109.5° |
| O6 | C21 | H24 | 108.6° | 109.5° |
| C21 | O6 | H29 | 109.5° | 114.0° |
| C21 | C22 | O7 | 107.6° | 109.5° |
| C22 | C21 | H24 | 107.6° | 109.5° |
| C21 | C22 | H25 | 110.0° | 109.4° |
| C21 | C22 | H26 | 110.0° | 109.5° |
| N2 | C1 | N1 | 124.6° | 121.4° |
| N2 | C1 | O1 | 121.5° | 119.3° |
| C22 | O7 | P1 | 119.5° | 123.0° |
| O7 | C22 | H25 | 109.9° | 109.5° |
| O7 | C22 | H26 | 109.9° | 109.5° |
| O7 | P1 | O8 | 104.9° | 109.4° |
| O7 | P1 | O9 | 104.6° | 109.5° |
| O7 | P1 | O10 | 106.5° | 109.5° |
| N1 | C1 | O1 | 113.8° | 119.3° |
| C1 | N1 | H1 | 119.4° | 120.0° |
| C1 | O1 | H2 | 109.5° | 113.9° |
| O8 | P1 | O9 | 113.1° | 109.5° |
| O8 | P1 | O10 | 113.7° | 109.5° |
| O9 | P1 | O10 | 113.0° | 109.5° |
| P1 | O9 | H30 | 109.5° | 114.0° |
| P1 | O10 | H31 | 109.5° | 114.0° |
| H5 | C12 | H6 | 109.5° | 108.8° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.4° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H16 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H25 | C22 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C8 | C9 | C14 | 1.0° | 3.2° |
| C15 | C8 | C9 | C7 | 179.9° | 178.3° |
| C15 | C8 | C9 | C10 | 179.8° | 176.6° |
| C15 | C8 | C7 | C13 | 0.6° | 6.5° |
| C15 | C8 | C7 | C5 | 179.4° | 174.4° |
| C8 | C15 | H10 | H11 | 120.0° | 120.0° |
| C8 | C15 | H10 | H12 | 120.0° | 120.1° |
| C8 | C15 | H11 | H12 | 120.0° | 120.0° |
| C14 | C9 | C8 | C10 | 178.7° | 179.9° |
| C14 | C9 | C8 | C7 | 179.1° | 178.4° |
| C14 | C9 | C10 | C6 | 178.5° | 178.7° |
| C14 | C9 | C10 | H3 | 1.5° | 2.0° |
| C9 | C14 | H7 | H8 | 120.0° | 119.9° |
| C9 | C14 | H7 | H9 | 120.0° | 119.9° |
| C9 | C14 | H8 | H9 | 120.0° | 120.0° |
| C16 | C13 | C7 | C8 | 13.6° | 65.4° |
| C16 | C13 | C17 | C7 | 124.5° | 121.7° |
| C16 | C13 | C17 | C12 | 118.8° | 116.2° |
| C16 | C13 | C7 | C12 | 120.8° | 122.5° |
| C16 | C13 | C7 | C5 | 167.6° | 115.5° |
| C16 | C13 | C12 | C11 | 170.4° | 82.9° |
| C16 | C13 | C12 | H5 | 50.4° | 37.9° |
| C16 | C13 | C12 | H6 | 69.5° | 156.5° |
| C13 | C16 | H14 | H15 | 120.0° | 120.0° |
| C13 | C16 | H14 | H16 | 120.0° | 120.0° |
| C13 | C16 | H15 | H16 | 120.0° | 120.0° |
| C16 | C13 | C17 | H17 | 180.0° | 39.0° |
| C16 | C13 | C17 | H18 | 60.0° | 81.0° |
| C16 | C13 | C17 | H19 | 60.0° | 159.0° |
| C9 | C8 | C7 | C13 | 179.2° | 175.3° |
| C9 | C8 | C7 | C5 | 0.5° | 3.8° |
| C8 | C9 | C10 | C6 | 0.2° | 1.2° |
| C8 | C9 | C10 | H3 | 179.8° | 178.1° |
| C8 | C9 | C14 | H7 | 90.6° | 90.0° |
| C8 | C9 | C14 | H8 | 149.4° | 150.0° |
| C8 | C9 | C14 | H9 | 29.4° | 30.0° |
| C9 | C8 | C15 | H10 | 90.1° | 91.5° |
| C9 | C8 | C15 | H11 | 150.0° | 148.5° |
| C9 | C8 | C15 | H12 | 30.0° | 28.6° |
| C7 | C8 | C9 | C10 | 0.4° | 1.7° |
| C8 | C7 | C13 | C17 | 107.2° | 54.9° |
| C8 | C7 | C13 | C5 | 178.8° | 179.1° |
| C8 | C7 | C13 | C12 | 134.4° | 172.1° |
| C8 | C7 | C5 | C6 | 1.9° | 3.2° |
| C8 | C7 | C5 | N3 | 178.0° | 176.6° |
| C7 | C8 | C15 | H10 | 90.1° | 86.8° |
| C7 | C8 | C15 | H11 | 29.9° | 33.2° |
| C7 | C8 | C15 | H12 | 149.9° | 153.2° |
| C9 | C10 | C6 | H3 | 180.0° | 179.3° |
| C9 | C10 | C6 | C5 | 1.7° | 1.8° |
| C9 | C10 | C6 | N4 | 179.1° | 177.6° |
| C10 | C9 | C14 | H7 | 90.6° | 90.1° |
| C10 | C9 | C14 | H8 | 29.4° | 29.9° |
| C10 | C9 | C14 | H9 | 149.4° | 149.9° |
| C17 | C13 | C7 | C12 | 118.4° | 117.2° |
| C17 | C13 | C7 | C5 | 71.6° | 124.2° |
| C17 | C13 | C12 | C11 | 52.8° | 160.8° |
| C17 | C13 | C12 | H5 | 67.3° | 78.4° |
| C17 | C13 | C12 | H6 | 172.9° | 40.2° |
| C17 | C13 | C16 | H14 | 180.0° | 53.3° |
| C17 | C13 | C16 | H15 | 60.0° | 173.3° |
| C17 | C13 | C16 | H16 | 60.0° | 66.7° |
| C13 | C17 | H17 | H18 | 120.0° | 120.0° |
| C13 | C17 | H17 | H19 | 120.0° | 120.0° |
| C13 | C17 | H18 | H19 | 120.0° | 120.0° |
| C7 | C13 | C12 | C11 | 66.0° | 41.1° |
| C13 | C7 | C5 | C6 | 179.2° | 175.9° |
| C13 | C7 | C5 | N3 | 3.1° | 4.2° |
| C7 | C13 | C12 | H5 | 173.9° | 161.8° |
| C7 | C13 | C12 | H6 | 54.1° | 79.6° |
| C7 | C13 | C16 | H14 | 57.9° | 67.5° |
| C7 | C13 | C16 | H15 | 177.9° | 52.5° |
| C7 | C13 | C16 | H16 | 62.1° | 172.5° |
| C7 | C13 | C17 | H17 | 55.5° | 82.7° |
| C7 | C13 | C17 | H18 | 64.5° | 157.3° |
| C7 | C13 | C17 | H19 | 175.5° | 37.3° |
| C12 | C13 | C7 | C5 | 46.8° | 7.0° |
| C13 | C12 | C11 | H5 | 120.1° | 120.4° |
| C13 | C12 | C11 | H6 | 120.1° | 120.3° |
| C13 | C12 | C11 | N3 | 41.3° | 62.8° |
| C13 | C12 | C11 | O2 | 163.9° | 56.9° |
| C13 | C12 | C11 | H4 | 77.8° | 177.8° |
| C13 | C12 | H5 | H6 | 119.8° | 118.8° |
| C12 | C13 | C16 | H14 | 61.4° | 167.3° |
| C12 | C13 | C16 | H15 | 58.7° | 72.7° |
| C12 | C13 | C16 | H16 | 178.7° | 47.3° |
| C12 | C13 | C17 | H17 | 61.2° | 155.2° |
| C12 | C13 | C17 | H18 | 178.8° | 35.2° |
| C12 | C13 | C17 | H19 | 58.8° | 84.8° |
| C7 | C5 | C6 | C10 | 2.5° | 0.5° |
| C7 | C5 | C6 | N3 | 176.0° | 179.9° |
| C7 | C5 | C6 | N4 | 180.0° | 179.8° |
| C7 | C5 | N3 | C11 | 24.7° | 21.3° |
| C7 | C5 | N3 | C3 | 163.8° | 160.3° |
| C10 | C6 | C5 | N4 | 177.5° | 179.3° |
| C10 | C6 | C5 | N3 | 178.5° | 179.4° |
| C10 | C6 | N4 | C18 | 18.4° | 19.2° |
| C10 | C6 | N4 | C4 | 162.8° | 161.4° |
| C12 | C11 | N3 | C5 | 3.9° | 53.8° |
| C12 | C11 | N3 | O2 | 120.7° | 120.6° |
| C12 | C11 | N3 | H4 | 118.8° | 118.9° |
| C12 | C11 | O2 | H4 | 117.6° | 121.4° |
| C12 | C11 | N3 | C3 | 175.3° | 127.8° |
| C11 | C12 | H5 | H6 | 119.7° | 119.8° |
| C12 | C11 | O2 | H13 | 161.9° | 177.0° |
| C6 | C5 | N3 | C11 | 151.4° | 158.6° |
| C6 | C5 | N3 | C3 | 20.1° | 19.8° |
| C5 | C6 | N4 | C18 | 164.1° | 160.1° |
| C5 | C6 | N4 | C4 | 14.6° | 19.3° |
| C5 | C6 | C10 | H3 | 178.4° | 177.5° |
| N3 | C5 | C6 | N4 | 4.0° | 0.1° |
| C5 | N3 | C11 | C3 | 171.4° | 178.4° |
| C5 | N3 | C11 | O2 | 116.7° | 66.8° |
| C5 | N3 | C3 | C4 | 17.7° | 20.7° |
| C5 | N3 | C3 | C2 | 159.8° | 159.2° |
| C5 | N3 | C11 | H4 | 122.7° | 172.7° |
| C6 | N4 | C18 | C4 | 178.8° | 179.4° |
| C6 | N4 | C18 | C19 | 107.3° | 84.2° |
| C6 | N4 | C4 | C3 | 17.0° | 18.5° |
| C6 | N4 | C4 | N2 | 165.6° | 160.6° |
| N4 | C6 | C10 | H3 | 0.9° | 3.2° |
| C6 | N4 | C18 | H20 | 132.2° | 35.8° |
| C6 | N4 | C18 | H21 | 13.3° | 155.7° |
| N3 | C11 | O2 | H4 | 120.1° | 121.6° |
| C11 | N3 | C3 | C4 | 154.1° | 157.6° |
| C11 | N3 | C3 | C2 | 28.4° | 22.4° |
| N3 | C11 | C12 | H5 | 161.4° | 176.9° |
| N3 | C11 | C12 | H6 | 78.8° | 57.6° |
| N3 | C11 | O2 | H13 | 75.8° | 60.0° |
| O2 | C11 | N3 | C3 | 54.7° | 111.6° |
| O2 | C11 | C12 | H5 | 76.0° | 63.5° |
| O2 | C11 | C12 | H6 | 43.9° | 177.2° |
| N3 | C3 | C4 | N4 | 0.4° | 1.3° |
| N3 | C3 | C4 | C2 | 177.6° | 179.9° |
| N3 | C3 | C4 | N2 | 177.8° | 179.6° |
| N3 | C3 | C2 | O3 | 0.2° | 3.5° |
| N3 | C3 | C2 | N1 | 179.2° | 177.7° |
| C3 | N3 | C11 | H4 | 65.9° | 8.9° |
| O4 | C19 | C18 | N4 | 59.2° | 67.5° |
| O4 | C19 | C18 | C20 | 120.3° | 119.9° |
| O4 | C19 | C18 | H22 | 120.9° | 120.0° |
| O4 | C19 | C20 | H22 | 121.1° | 120.1° |
| O4 | C19 | C20 | C21 | 53.0° | 60.1° |
| O4 | C19 | C20 | O5 | 176.1° | 180.0° |
| O4 | C19 | C18 | H20 | 179.8° | 172.5° |
| O4 | C19 | C18 | H21 | 61.4° | 52.5° |
| O4 | C19 | C20 | H23 | 66.1° | 59.9° |
| N4 | C18 | C19 | H20 | 120.6° | 120.0° |
| N4 | C18 | C19 | H21 | 120.6° | 120.0° |
| C18 | N4 | C4 | C3 | 161.8° | 160.9° |
| N4 | C18 | C19 | C20 | 179.5° | 172.6° |
| C18 | N4 | C4 | N2 | 15.7° | 20.0° |
| N4 | C18 | H20 | H21 | 118.2° | 119.9° |
| N4 | C18 | C19 | H22 | 61.6° | 52.6° |
| C4 | N4 | C18 | C19 | 74.0° | 95.2° |
| N4 | C4 | C3 | N2 | 177.4° | 179.2° |
| N4 | C4 | C3 | C2 | 178.0° | 178.7° |
| N4 | C4 | N2 | C1 | 178.2° | 178.7° |
| C4 | N4 | C18 | H20 | 46.6° | 144.8° |
| C4 | N4 | C18 | H21 | 165.4° | 24.9° |
| C18 | C19 | C20 | H22 | 118.9° | 120.0° |
| C18 | C19 | C20 | C21 | 173.1° | 180.0° |
| C18 | C19 | C20 | O5 | 63.8° | 60.1° |
| C19 | C18 | H20 | H21 | 118.2° | 120.0° |
| C18 | C19 | C20 | H23 | 54.0° | 60.0° |
| C18 | C19 | O4 | H27 | 180.0° | 55.9° |
| C4 | C3 | C2 | O3 | 177.7° | 176.4° |
| C4 | C3 | C2 | N1 | 3.3° | 2.3° |
| C3 | C4 | N2 | C1 | 4.4° | 0.5° |
| C2 | C3 | C4 | N2 | 4.6° | 0.5° |
| C3 | C2 | O3 | N1 | 179.0° | 178.7° |
| C3 | C2 | N1 | C1 | 2.0° | 4.2° |
| C3 | C2 | N1 | H1 | 178.0° | 175.8° |
| C19 | C20 | C21 | O5 | 122.9° | 120.0° |
| C19 | C20 | C21 | H23 | 119.1° | 120.0° |
| C19 | C20 | O5 | H23 | 117.0° | 120.1° |
| C19 | C20 | C21 | O6 | 172.3° | 60.0° |
| C19 | C20 | C21 | C22 | 49.0° | 180.0° |
| C20 | C19 | C18 | H20 | 59.8° | 52.6° |
| C20 | C19 | C18 | H21 | 59.0° | 67.4° |
| C19 | C20 | C21 | H24 | 69.7° | 59.9° |
| C20 | C19 | O4 | H27 | 60.0° | 64.1° |
| C19 | C20 | O5 | H28 | 180.0° | 60.0° |
| C4 | N2 | C1 | N1 | 3.0° | 2.3° |
| C4 | N2 | C1 | O1 | 180.0° | 178.4° |
| O3 | C2 | N1 | C1 | 178.9° | 174.6° |
| O3 | C2 | N1 | H1 | 1.1° | 5.4° |
| C21 | C20 | O5 | H23 | 117.2° | 120.0° |
| C20 | C21 | O6 | C22 | 125.4° | 120.0° |
| C20 | C21 | O6 | H24 | 117.2° | 120.0° |
| C20 | C21 | C22 | H24 | 118.6° | 120.0° |
| C20 | C21 | C22 | O7 | 172.0° | 175.0° |
| C21 | C20 | C19 | H22 | 68.1° | 60.0° |
| C20 | C21 | C22 | H25 | 52.3° | 55.0° |
| C20 | C21 | C22 | H26 | 68.3° | 65.0° |
| C21 | C20 | O5 | H28 | 54.1° | 60.0° |
| C20 | C21 | O6 | H29 | 180.0° | 60.0° |
| O5 | C20 | C21 | O6 | 49.4° | 180.0° |
| O5 | C20 | C21 | C22 | 73.9° | 60.0° |
| O5 | C20 | C19 | H22 | 55.0° | 59.9° |
| O5 | C20 | C21 | H24 | 167.3° | 60.0° |
| C2 | N1 | C1 | N2 | 2.0° | 4.2° |
| C2 | N1 | C1 | H1 | 180.0° | 179.9° |
| C2 | N1 | C1 | O1 | 179.2° | 176.5° |
| O6 | C21 | C22 | H24 | 118.0° | 120.0° |
| O6 | C21 | C22 | O7 | 64.6° | 65.0° |
| O6 | C21 | C20 | H23 | 68.6° | 60.0° |
| O6 | C21 | C22 | H25 | 175.7° | 175.0° |
| O6 | C21 | C22 | H26 | 55.1° | 55.0° |
| C21 | C22 | O7 | H25 | 119.7° | 120.0° |
| C21 | C22 | O7 | H26 | 119.7° | 120.0° |
| C21 | C22 | O7 | P1 | 117.5° | 180.0° |
| C22 | C21 | C20 | H23 | 168.1° | 60.0° |
| C21 | C22 | H25 | H26 | 120.9° | 120.0° |
| C22 | C21 | O6 | H29 | 54.6° | 60.0° |
| N2 | C1 | N1 | O1 | 177.2° | 179.3° |
| N2 | C1 | N1 | H1 | 178.0° | 175.7° |
| N2 | C1 | O1 | H2 | 0.0° | 0.7° |
| C22 | O7 | P1 | O8 | 163.4° | 55.1° |
| C22 | O7 | P1 | O9 | 77.4° | 64.9° |
| C22 | O7 | P1 | O10 | 42.5° | 175.1° |
| O7 | C22 | C21 | H24 | 53.4° | 55.0° |
| O7 | C22 | H25 | H26 | 120.9° | 120.0° |
| O7 | P1 | O8 | O9 | 113.3° | 120.0° |
| O7 | P1 | O8 | O10 | 116.0° | 120.0° |
| O7 | P1 | O9 | O10 | 115.4° | 120.0° |
| P1 | O7 | C22 | H25 | 122.8° | 60.1° |
| P1 | O7 | C22 | H26 | 2.2° | 59.9° |
| O7 | P1 | O9 | H30 | 113.6° | 60.0° |
| O7 | P1 | O10 | H31 | 115.0° | 180.0° |
| N1 | C1 | O1 | H2 | 177.3° | 180.0° |
| O1 | C1 | N1 | H1 | 0.8° | 3.6° |
| O8 | P1 | O9 | O10 | 131.0° | 120.0° |
| O8 | P1 | O9 | H30 | 0.0° | 180.0° |
| O8 | P1 | O10 | H31 | 0.0° | 60.0° |
| O9 | P1 | O10 | H31 | 130.7° | 60.0° |
| O10 | P1 | O9 | H30 | 131.0° | 60.0° |
| H4 | C11 | C12 | H5 | 42.3° | 57.4° |
| H4 | C11 | C12 | H6 | 162.2° | 61.9° |
| H4 | C11 | O2 | H13 | 44.3° | 61.6° |
| H7 | C14 | H8 | H9 | 120.0° | 120.1° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H14 | C16 | H15 | H16 | 119.9° | 120.0° |
| H17 | C17 | H18 | H19 | 120.0° | 120.0° |
| H20 | C18 | C19 | H22 | 59.0° | 67.4° |
| H21 | C18 | C19 | H22 | 177.8° | 172.6° |
| H22 | C19 | C20 | H23 | 172.8° | 180.0° |
| H22 | C19 | O4 | H27 | 60.1° | 175.9° |
| H23 | C20 | C21 | H24 | 49.3° | 180.0° |
| H23 | C20 | O5 | H28 | 63.0° | 180.0° |
| H24 | C21 | C22 | H25 | 66.3° | 65.0° |
| H24 | C21 | C22 | H26 | 173.1° | 175.0° |
| H24 | C21 | O6 | H29 | 62.8° | 180.0° |
