A1DRM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | N1 | sing | 1.46Å | 1.48Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| N1 | S1 | sing | 1.66Å | 1.66Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| S1 | C5 | sing | 1.76Å | 1.77Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | N2 | sing | 1.40Å | 1.38Å | |
| C8 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| N2 | C9 | sing | 1.46Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | trip | 1.17Å | 1.20Å | |
| C11 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | N4 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.46Å | 1.40Å | Aromatic |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C24 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | N3 | sing | 1.39Å | 1.37Å | |
| C15 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C16 | sing | 1.46Å | 1.46Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | C20 | sing | 1.53Å | 1.51Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | O4 | sing | 1.43Å | 1.42Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| O4 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | N4 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C25 | sing | 1.46Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | F1 | sing | 1.40Å | 1.33Å | |
| C26 | F2 | sing | 1.40Å | 1.33Å | |
| C26 | F3 | sing | 1.40Å | 1.33Å | |
| C27 | O5 | sing | 1.36Å | 1.36Å | |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| O5 | C28 | sing | 1.43Å | 1.42Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| C1 | O1 | C2 | 113.2° | 114.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 109.8° | 109.5° |
| O1 | C2 | H4 | 109.4° | 109.5° |
| O1 | C2 | H5 | 109.4° | 109.5° |
| C3 | C2 | H4 | 109.4° | 109.5° |
| C3 | C2 | H5 | 109.4° | 109.5° |
| C2 | C3 | N1 | 115.0° | 109.5° |
| C2 | C3 | H6 | 108.1° | 109.5° |
| C2 | C3 | H7 | 108.1° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| N1 | C3 | H6 | 108.1° | 109.5° |
| N1 | C3 | H7 | 108.1° | 109.5° |
| C3 | N1 | C4 | 115.3° | 120.0° |
| C3 | N1 | S1 | 118.3° | 120.0° |
| H6 | C3 | H7 | 109.4° | 109.5° |
| C4 | N1 | S1 | 118.5° | 119.9° |
| N1 | C4 | H8 | 109.5° | 109.4° |
| N1 | C4 | H9 | 109.5° | 109.5° |
| N1 | C4 | H10 | 109.4° | 109.5° |
| N1 | S1 | O2 | 107.8° | 106.4° |
| N1 | S1 | O3 | 106.9° | 106.5° |
| N1 | S1 | C5 | 107.2° | 107.2° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H8 | C4 | H10 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| O2 | S1 | O3 | 119.0° | 123.2° |
| O2 | S1 | C5 | 107.6° | 106.4° |
| O3 | S1 | C5 | 107.8° | 106.4° |
| S1 | C5 | C6 | 120.0° | 120.0° |
| S1 | C5 | C29 | 119.7° | 119.9° |
| C6 | C5 | C29 | 120.3° | 120.2° |
| C5 | C6 | C7 | 120.0° | 120.2° |
| C5 | C6 | H11 | 120.0° | 119.9° |
| C5 | C29 | C27 | 120.0° | 120.0° |
| C5 | C29 | H35 | 120.0° | 119.9° |
| C7 | C6 | H11 | 120.0° | 119.9° |
| C6 | C7 | C8 | 120.4° | 120.0° |
| C6 | C7 | H12 | 119.8° | 120.0° |
| C8 | C7 | H12 | 119.8° | 120.0° |
| C7 | C8 | N2 | 123.0° | 120.1° |
| C7 | C8 | C27 | 119.2° | 119.8° |
| N2 | C8 | C27 | 117.8° | 120.1° |
| C8 | N2 | C9 | 121.9° | 120.0° |
| C8 | N2 | H13 | 106.3° | 120.0° |
| C8 | C27 | O5 | 117.7° | 120.1° |
| C8 | C27 | C29 | 120.0° | 119.8° |
| C9 | N2 | H13 | 106.3° | 120.0° |
| N2 | C9 | C10 | 112.7° | 109.4° |
| N2 | C9 | H14 | 108.6° | 109.5° |
| N2 | C9 | H15 | 108.6° | 109.5° |
| C10 | C9 | H14 | 108.7° | 109.5° |
| C10 | C9 | H15 | 108.7° | 109.5° |
| C9 | C10 | C11 | 179.4° | 179.9° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| C10 | C11 | C12 | 179.3° | 180.0° |
| C11 | C12 | C13 | 127.2° | 125.2° |
| C11 | C12 | N4 | 124.2° | 125.3° |
| C13 | C12 | N4 | 108.6° | 109.5° |
| C12 | C13 | C14 | 108.6° | 106.9° |
| C12 | C13 | H16 | 125.7° | 126.6° |
| C12 | N4 | C24 | 108.3° | 109.7° |
| C12 | N4 | C25 | 127.4° | 125.2° |
| C14 | C13 | H16 | 125.7° | 126.5° |
| C13 | C14 | C15 | 134.9° | 133.7° |
| C13 | C14 | C24 | 106.8° | 106.4° |
| C15 | C14 | C24 | 118.3° | 119.9° |
| C14 | C15 | N3 | 120.9° | 120.3° |
| C14 | C15 | C21 | 119.3° | 119.5° |
| C14 | C24 | C23 | 122.2° | 119.4° |
| C14 | C24 | N4 | 107.7° | 107.5° |
| N3 | C15 | C21 | 119.8° | 120.2° |
| C15 | N3 | C16 | 125.3° | 120.0° |
| C15 | N3 | H17 | 105.4° | 120.0° |
| C15 | C21 | C22 | 120.3° | 120.3° |
| C15 | C21 | H27 | 119.8° | 119.9° |
| C16 | N3 | H17 | 105.4° | 120.0° |
| N3 | C16 | C17 | 109.9° | 109.5° |
| N3 | C16 | C20 | 111.5° | 109.5° |
| N3 | C16 | H18 | 108.5° | 109.6° |
| C17 | C16 | C20 | 111.0° | 109.0° |
| C17 | C16 | H18 | 107.9° | 109.5° |
| C16 | C17 | C18 | 113.5° | 109.2° |
| C16 | C17 | H19 | 108.5° | 109.5° |
| C16 | C17 | H20 | 108.5° | 109.5° |
| C20 | C16 | H18 | 107.9° | 109.6° |
| C16 | C20 | C19 | 113.5° | 109.2° |
| C16 | C20 | H25 | 108.5° | 109.6° |
| C16 | C20 | H26 | 108.5° | 109.5° |
| C18 | C17 | H19 | 108.5° | 109.5° |
| C18 | C17 | H20 | 108.5° | 109.5° |
| C17 | C18 | O4 | 112.1° | 109.4° |
| C17 | C18 | H21 | 108.8° | 109.5° |
| C17 | C18 | H22 | 108.8° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.6° |
| O4 | C18 | H21 | 108.8° | 109.5° |
| O4 | C18 | H22 | 108.8° | 109.5° |
| C18 | O4 | C19 | 113.3° | 114.1° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| O4 | C19 | C20 | 112.3° | 109.4° |
| O4 | C19 | H23 | 108.7° | 109.5° |
| O4 | C19 | H24 | 108.7° | 109.5° |
| C20 | C19 | H23 | 108.7° | 109.5° |
| C20 | C19 | H24 | 108.8° | 109.5° |
| C19 | C20 | H25 | 108.5° | 109.5° |
| C19 | C20 | H26 | 108.4° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.6° |
| C22 | C21 | H27 | 119.9° | 119.9° |
| C21 | C22 | C23 | 122.1° | 120.8° |
| C21 | C22 | H28 | 119.0° | 119.6° |
| C23 | C22 | H28 | 118.9° | 119.6° |
| C22 | C23 | C24 | 117.8° | 120.1° |
| C22 | C23 | H29 | 121.1° | 119.9° |
| C24 | C23 | H29 | 121.1° | 119.9° |
| C23 | C24 | N4 | 130.1° | 133.1° |
| C24 | N4 | C25 | 124.3° | 125.1° |
| N4 | C25 | C26 | 112.5° | 109.5° |
| N4 | C25 | H30 | 108.7° | 109.5° |
| N4 | C25 | H31 | 108.7° | 109.4° |
| C26 | C25 | H30 | 108.7° | 109.5° |
| C26 | C25 | H31 | 108.7° | 109.5° |
| C25 | C26 | F1 | 111.7° | 109.5° |
| C25 | C26 | F2 | 111.8° | 109.5° |
| C25 | C26 | F3 | 111.7° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| F1 | C26 | F2 | 107.2° | 109.5° |
| F1 | C26 | F3 | 107.1° | 109.5° |
| F2 | C26 | F3 | 107.1° | 109.5° |
| O5 | C27 | C29 | 122.3° | 120.0° |
| C27 | O5 | C28 | 117.8° | 117.0° |
| C27 | C29 | H35 | 120.0° | 120.1° |
| O5 | C28 | H32 | 109.5° | 109.4° |
| O5 | C28 | H33 | 109.4° | 109.5° |
| O5 | C28 | H34 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H32 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 119.9° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | O1 | C2 | C3 | 179.8° | 175.2° |
| C1 | O1 | C2 | H4 | 60.2° | 55.2° |
| C1 | O1 | C2 | H5 | 59.7° | 64.8° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H1 | C1 | O1 | C2 | 180.0° | 175.1° |
| H2 | C1 | O1 | C2 | 60.0° | 64.8° |
| H3 | C1 | O1 | C2 | 60.0° | 55.2° |
| O1 | C2 | C3 | H4 | 120.0° | 120.0° |
| O1 | C2 | C3 | H5 | 120.1° | 120.0° |
| O1 | C2 | H4 | H5 | 119.8° | 120.0° |
| O1 | C2 | C3 | N1 | 150.7° | 65.4° |
| O1 | C2 | C3 | H6 | 88.5° | 174.6° |
| O1 | C2 | C3 | H7 | 29.8° | 54.6° |
| C3 | C2 | H4 | H5 | 119.9° | 120.0° |
| C2 | C3 | N1 | H6 | 120.8° | 120.0° |
| C2 | C3 | N1 | H7 | 120.8° | 120.0° |
| C2 | C3 | H6 | H7 | 117.5° | 120.0° |
| C2 | C3 | N1 | C4 | 51.1° | 82.2° |
| C2 | C3 | N1 | S1 | 97.7° | 97.8° |
| H4 | C2 | C3 | N1 | 30.6° | 54.5° |
| H4 | C2 | C3 | H6 | 151.5° | 65.5° |
| H4 | C2 | C3 | H7 | 90.2° | 174.6° |
| H5 | C2 | C3 | N1 | 89.3° | 174.5° |
| H5 | C2 | C3 | H6 | 31.6° | 54.5° |
| H5 | C2 | C3 | H7 | 149.9° | 65.4° |
| N1 | C3 | H6 | H7 | 117.5° | 120.0° |
| C3 | N1 | C4 | S1 | 148.7° | 180.0° |
| C3 | N1 | C4 | H8 | 180.0° | 90.0° |
| C3 | N1 | C4 | H9 | 60.0° | 150.0° |
| C3 | N1 | C4 | H10 | 60.0° | 30.0° |
| C3 | N1 | S1 | O2 | 168.7° | 27.3° |
| C3 | N1 | S1 | O3 | 62.2° | 160.3° |
| C3 | N1 | S1 | C5 | 53.1° | 86.1° |
| H6 | C3 | N1 | C4 | 69.7° | 37.8° |
| H6 | C3 | N1 | S1 | 141.5° | 142.2° |
| H7 | C3 | N1 | C4 | 172.0° | 157.8° |
| H7 | C3 | N1 | S1 | 23.2° | 22.2° |
| N1 | C4 | H8 | H9 | 120.0° | 120.0° |
| N1 | C4 | H8 | H10 | 120.0° | 119.9° |
| N1 | C4 | H9 | H10 | 120.0° | 120.0° |
| C4 | N1 | S1 | O2 | 21.0° | 152.6° |
| C4 | N1 | S1 | O3 | 150.0° | 19.7° |
| C4 | N1 | S1 | C5 | 94.7° | 93.9° |
| S1 | N1 | C4 | H8 | 31.3° | 90.1° |
| S1 | N1 | C4 | H9 | 88.7° | 30.0° |
| S1 | N1 | C4 | H10 | 151.3° | 150.0° |
| N1 | S1 | O2 | O3 | 121.8° | 123.0° |
| N1 | S1 | O2 | C5 | 115.4° | 114.0° |
| N1 | S1 | O3 | C5 | 115.0° | 114.1° |
| N1 | S1 | C5 | C6 | 90.8° | 95.0° |
| N1 | S1 | C5 | C29 | 88.9° | 85.2° |
| H8 | C4 | H9 | H10 | 120.0° | 120.0° |
| O2 | S1 | O3 | C5 | 122.8° | 122.9° |
| O2 | S1 | C5 | C6 | 153.4° | 18.4° |
| O2 | S1 | C5 | C29 | 26.9° | 161.3° |
| O3 | S1 | C5 | C6 | 24.0° | 151.4° |
| O3 | S1 | C5 | C29 | 156.3° | 28.4° |
| S1 | C5 | C6 | C29 | 179.7° | 179.7° |
| S1 | C5 | C6 | C7 | 179.9° | 180.0° |
| S1 | C5 | C6 | H11 | 0.1° | 0.0° |
| S1 | C5 | C29 | C27 | 179.9° | 179.7° |
| S1 | C5 | C29 | H35 | 0.1° | 0.0° |
| C5 | C6 | C7 | H11 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H12 | 179.9° | 180.0° |
| C6 | C5 | C29 | C27 | 0.2° | 0.5° |
| C6 | C5 | C29 | H35 | 179.8° | 179.8° |
| C29 | C5 | C6 | C7 | 0.2° | 0.3° |
| C29 | C5 | C6 | H11 | 179.8° | 179.7° |
| C5 | C29 | C27 | C8 | 0.1° | 0.5° |
| C5 | C29 | C27 | O5 | 179.9° | 179.7° |
| C5 | C29 | C27 | H35 | 180.0° | 179.7° |
| C6 | C7 | C8 | H12 | 180.0° | 180.0° |
| C6 | C7 | C8 | N2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C27 | 0.0° | 0.0° |
| H11 | C6 | C7 | C8 | 179.9° | 180.0° |
| H11 | C6 | C7 | H12 | 0.1° | 0.0° |
| C7 | C8 | N2 | C27 | 180.0° | 180.0° |
| C7 | C8 | N2 | C9 | 51.3° | 0.0° |
| C7 | C8 | N2 | H13 | 173.0° | 180.0° |
| C7 | C8 | C27 | O5 | 180.0° | 180.0° |
| C7 | C8 | C27 | C29 | 0.0° | 0.2° |
| H12 | C7 | C8 | N2 | 0.0° | 0.0° |
| H12 | C7 | C8 | C27 | 180.0° | 180.0° |
| C8 | N2 | C9 | H13 | 121.7° | 180.0° |
| C8 | N2 | C9 | C10 | 155.3° | 180.0° |
| C8 | N2 | C9 | H14 | 84.2° | 60.0° |
| C8 | N2 | C9 | H15 | 34.8° | 60.0° |
| N2 | C8 | C27 | O5 | 0.0° | 0.0° |
| N2 | C8 | C27 | C29 | 180.0° | 179.7° |
| C27 | C8 | N2 | C9 | 128.7° | 180.0° |
| C27 | C8 | N2 | H13 | 7.0° | 0.0° |
| C8 | C27 | O5 | C29 | 180.0° | 179.8° |
| C8 | C27 | O5 | C28 | 107.8° | 175.3° |
| C8 | C27 | C29 | H35 | 179.9° | 179.8° |
| N2 | C9 | C10 | H14 | 120.5° | 120.0° |
| N2 | C9 | C10 | H15 | 120.5° | 120.0° |
| N2 | C9 | H14 | H15 | 118.5° | 120.0° |
| N2 | C9 | C10 | C11 | 146.6° | 175.2° |
| H13 | N2 | C9 | C10 | 33.6° | 0.0° |
| H13 | N2 | C9 | H14 | 154.1° | 120.0° |
| H13 | N2 | C9 | H15 | 86.9° | 120.0° |
| C10 | C9 | H14 | H15 | 118.5° | 120.0° |
| C9 | C10 | C11 | C12 | 51.6° | 159.2° |
| H14 | C9 | C10 | C11 | 92.9° | 64.8° |
| H15 | C9 | C10 | C11 | 26.1° | 55.2° |
| C10 | C11 | C12 | C13 | 91.7° | 164.1° |
| C10 | C11 | C12 | N4 | 88.4° | 15.6° |
| C11 | C12 | C13 | N4 | 179.9° | 179.8° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C11 | C12 | C13 | H16 | 0.0° | 0.0° |
| C11 | C12 | N4 | C24 | 179.9° | 179.8° |
| C11 | C12 | N4 | C25 | 0.2° | 0.0° |
| C12 | C13 | C14 | H16 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 180.0° | 180.0° |
| C12 | C13 | C14 | C24 | 0.1° | 0.0° |
| C13 | C12 | N4 | C24 | 0.2° | 0.4° |
| C13 | C12 | N4 | C25 | 179.9° | 179.8° |
| N4 | C12 | C13 | C14 | 0.1° | 0.2° |
| N4 | C12 | C13 | H16 | 179.9° | 179.7° |
| C12 | N4 | C24 | C14 | 0.1° | 0.4° |
| C12 | N4 | C24 | C23 | 179.9° | 179.8° |
| C12 | N4 | C24 | C25 | 179.8° | 179.8° |
| C12 | N4 | C25 | C26 | 88.6° | 90.0° |
| C12 | N4 | C25 | H30 | 31.8° | 150.0° |
| C12 | N4 | C25 | H31 | 150.9° | 30.0° |
| C13 | C14 | C15 | C24 | 180.0° | 180.0° |
| C13 | C14 | C15 | N3 | 0.0° | 0.0° |
| C13 | C14 | C15 | C21 | 180.0° | 180.0° |
| C13 | C14 | C24 | C23 | 180.0° | 180.0° |
| C13 | C14 | C24 | N4 | 0.0° | 0.3° |
| H16 | C13 | C14 | C15 | 0.0° | 0.0° |
| H16 | C13 | C14 | C24 | 179.9° | 180.0° |
| C14 | C15 | N3 | C21 | 180.0° | 179.9° |
| C14 | C15 | N3 | C16 | 112.8° | 180.0° |
| C14 | C15 | N3 | H17 | 9.3° | 0.1° |
| C14 | C15 | C21 | C22 | 0.0° | 0.0° |
| C14 | C15 | C21 | H27 | 180.0° | 180.0° |
| C15 | C14 | C24 | C23 | 0.1° | 0.1° |
| C15 | C14 | C24 | N4 | 179.9° | 179.7° |
| C24 | C14 | C15 | N3 | 180.0° | 180.0° |
| C24 | C14 | C15 | C21 | 0.0° | 0.0° |
| C14 | C24 | C23 | C22 | 0.1° | 0.0° |
| C14 | C24 | C23 | N4 | 180.0° | 179.7° |
| C14 | C24 | C23 | H29 | 179.9° | 179.9° |
| C14 | C24 | N4 | C25 | 179.9° | 179.8° |
| C15 | N3 | C16 | H17 | 122.1° | 179.9° |
| C15 | N3 | C16 | C17 | 83.9° | 155.0° |
| C15 | N3 | C16 | C20 | 152.5° | 85.4° |
| C15 | N3 | C16 | H18 | 33.9° | 34.9° |
| N3 | C15 | C21 | C22 | 180.0° | 179.9° |
| N3 | C15 | C21 | H27 | 0.0° | 0.0° |
| C21 | C15 | N3 | C16 | 67.2° | 0.1° |
| C21 | C15 | N3 | H17 | 170.7° | 180.0° |
| C15 | C21 | C22 | H27 | 180.0° | 180.0° |
| C15 | C21 | C22 | C23 | 0.1° | 0.0° |
| C15 | C21 | C22 | H28 | 179.9° | 180.0° |
| N3 | C16 | C17 | C20 | 123.8° | 119.9° |
| N3 | C16 | C17 | H18 | 118.1° | 120.2° |
| N3 | C16 | C20 | H18 | 119.0° | 120.3° |
| N3 | C16 | C17 | C18 | 166.6° | 176.8° |
| N3 | C16 | C17 | H19 | 72.8° | 63.2° |
| N3 | C16 | C17 | H20 | 46.0° | 56.9° |
| N3 | C16 | C20 | C19 | 170.8° | 176.8° |
| N3 | C16 | C20 | H25 | 50.2° | 56.9° |
| N3 | C16 | C20 | H26 | 68.6° | 63.3° |
| H17 | N3 | C16 | C17 | 38.2° | 25.0° |
| H17 | N3 | C16 | C20 | 85.3° | 94.5° |
| H17 | N3 | C16 | H18 | 156.0° | 145.2° |
| C17 | C16 | C20 | H18 | 118.1° | 119.9° |
| C16 | C17 | C18 | H19 | 120.6° | 119.9° |
| C16 | C17 | C18 | H20 | 120.6° | 119.9° |
| C16 | C17 | H19 | H20 | 118.2° | 120.2° |
| C16 | C17 | C18 | O4 | 8.2° | 57.6° |
| C16 | C17 | C18 | H21 | 128.6° | 62.3° |
| C16 | C17 | C18 | H22 | 112.2° | 177.6° |
| C17 | C16 | C20 | C19 | 47.9° | 57.0° |
| C17 | C16 | C20 | H25 | 72.7° | 62.9° |
| C17 | C16 | C20 | H26 | 168.5° | 176.9° |
| C20 | C16 | C17 | C18 | 42.8° | 57.0° |
| C20 | C16 | C17 | H19 | 163.4° | 176.9° |
| C20 | C16 | C17 | H20 | 77.8° | 62.9° |
| C16 | C20 | C19 | O4 | 1.2° | 57.6° |
| C16 | C20 | C19 | H25 | 120.6° | 120.0° |
| C16 | C20 | C19 | H26 | 120.6° | 119.9° |
| C16 | C20 | C19 | H23 | 119.2° | 62.3° |
| C16 | C20 | C19 | H24 | 121.6° | 177.6° |
| C16 | C20 | H25 | H26 | 118.2° | 120.2° |
| H18 | C16 | C17 | C18 | 75.3° | 63.0° |
| H18 | C16 | C17 | H19 | 45.3° | 56.9° |
| H18 | C16 | C17 | H20 | 164.1° | 177.1° |
| H18 | C16 | C20 | C19 | 70.2° | 62.9° |
| H18 | C16 | C20 | H25 | 169.2° | 177.2° |
| H18 | C16 | C20 | H26 | 50.4° | 57.0° |
| C18 | C17 | H19 | H20 | 118.2° | 120.2° |
| C17 | C18 | O4 | H21 | 120.4° | 120.0° |
| C17 | C18 | O4 | H22 | 120.4° | 120.0° |
| C17 | C18 | H21 | H22 | 118.8° | 120.0° |
| C17 | C18 | O4 | C19 | 59.1° | 61.2° |
| H19 | C17 | C18 | O4 | 112.4° | 177.5° |
| H19 | C17 | C18 | H21 | 8.0° | 57.6° |
| H19 | C17 | C18 | H22 | 127.2° | 62.5° |
| H20 | C17 | C18 | O4 | 128.8° | 62.3° |
| H20 | C17 | C18 | H21 | 110.8° | 177.8° |
| H20 | C17 | C18 | H22 | 8.4° | 57.7° |
| O4 | C18 | H21 | H22 | 118.8° | 120.1° |
| C18 | O4 | C19 | C20 | 53.8° | 61.2° |
| C18 | O4 | C19 | H23 | 174.2° | 58.8° |
| C18 | O4 | C19 | H24 | 66.7° | 178.9° |
| H21 | C18 | O4 | C19 | 179.5° | 58.8° |
| H22 | C18 | O4 | C19 | 61.3° | 178.9° |
| O4 | C19 | C20 | H23 | 120.4° | 120.0° |
| O4 | C19 | C20 | H24 | 120.4° | 120.0° |
| O4 | C19 | H23 | H24 | 118.7° | 120.1° |
| O4 | C19 | C20 | H25 | 119.3° | 62.3° |
| O4 | C19 | C20 | H26 | 121.8° | 177.5° |
| C20 | C19 | H23 | H24 | 118.7° | 120.0° |
| C19 | C20 | H25 | H26 | 118.2° | 120.1° |
| H23 | C19 | C20 | H25 | 120.2° | 177.7° |
| H23 | C19 | C20 | H26 | 1.4° | 57.6° |
| H24 | C19 | C20 | H25 | 1.1° | 57.7° |
| H24 | C19 | C20 | H26 | 117.8° | 62.5° |
| C21 | C22 | C23 | H28 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H29 | 179.9° | 180.0° |
| H27 | C21 | C22 | C23 | 180.0° | 180.0° |
| H27 | C21 | C22 | H28 | 0.1° | 0.1° |
| C22 | C23 | C24 | H29 | 180.0° | 179.9° |
| C22 | C23 | C24 | N4 | 179.9° | 179.7° |
| H28 | C22 | C23 | C24 | 179.9° | 179.9° |
| H28 | C22 | C23 | H29 | 0.1° | 0.1° |
| C23 | C24 | N4 | C25 | 0.1° | 0.0° |
| H29 | C23 | C24 | N4 | 0.1° | 0.4° |
| C24 | N4 | C25 | C26 | 91.1° | 89.8° |
| C24 | N4 | C25 | H30 | 148.5° | 30.2° |
| C24 | N4 | C25 | H31 | 29.3° | 150.2° |
| N4 | C25 | C26 | H30 | 120.5° | 120.0° |
| N4 | C25 | C26 | H31 | 120.5° | 120.0° |
| N4 | C25 | H30 | H31 | 118.6° | 120.0° |
| N4 | C25 | C26 | F1 | 61.3° | 60.0° |
| N4 | C25 | C26 | F2 | 178.6° | 180.0° |
| N4 | C25 | C26 | F3 | 58.6° | 60.0° |
| C26 | C25 | H30 | H31 | 118.6° | 120.0° |
| C25 | C26 | F1 | F2 | 122.7° | 120.0° |
| C25 | C26 | F1 | F3 | 122.6° | 120.0° |
| C25 | C26 | F2 | F3 | 122.7° | 120.0° |
| H30 | C25 | C26 | F1 | 59.1° | 60.0° |
| H30 | C25 | C26 | F2 | 60.9° | 60.0° |
| H30 | C25 | C26 | F3 | 179.1° | 180.0° |
| H31 | C25 | C26 | F1 | 178.2° | 180.0° |
| H31 | C25 | C26 | F2 | 58.2° | 60.0° |
| H31 | C25 | C26 | F3 | 61.8° | 60.0° |
| F1 | C26 | F2 | F3 | 114.6° | 120.0° |
| C27 | O5 | C28 | H32 | 180.0° | 176.6° |
| C27 | O5 | C28 | H33 | 60.0° | 56.6° |
| C27 | O5 | C28 | H34 | 60.0° | 63.4° |
| O5 | C27 | C29 | H35 | 0.1° | 0.0° |
| C29 | C27 | O5 | C28 | 72.2° | 4.9° |
| O5 | C28 | H32 | H33 | 120.0° | 120.0° |
| O5 | C28 | H32 | H34 | 120.0° | 120.0° |
| O5 | C28 | H33 | H34 | 120.0° | 120.0° |
| H32 | C28 | H33 | H34 | 120.0° | 120.0° |
