PRD_002577
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| N3 | C3 | doub | 1.30Å | 1.34Å | |
| O1 | C5 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C8 | sing | 1.53Å | 1.54Å | |
| C2 | C8 | sing | 1.53Å | 1.53Å | |
| C2 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | N4 | sing | 1.37Å | 1.34Å | |
| C3 | N2 | sing | 1.37Å | 1.34Å | |
| N4 | C1 | sing | 1.47Å | 1.47Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | C7 | sing | 1.53Å | 1.53Å | |
| F2 | C7 | sing | 1.40Å | 1.33Å | |
| C7 | F1 | sing | 1.40Å | 1.32Å | |
| C7 | F3 | sing | 1.40Å | 1.33Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 1.01Å | 1.00Å | |
| N1 | H11 | sing | 1.01Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N5 | C9 | sing | 1.46Å | 1.47Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.40Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N6 | sing | 1.48Å | 1.33Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | O3 | sing | 1.36Å | 1.36Å | |
| O3 | H22 | sing | 0.97Å | 0.95Å | |
| N6 | O4 | sing | 1.22Å | 1.44Å | |
| N6 | O5 | doub | 1.22Å | 1.45Å | |
| N7 | C18 | sing | 1.47Å | 1.47Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.51Å | 1.39Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| N8 | H32 | sing | 0.97Å | 1.00Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C5 | N5 | sing | 1.35Å | 1.33Å | |
| C10 | N7 | sing | 1.35Å | 1.34Å | |
| C19 | N8 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C4 | C5 | 108.9° | 109.4° |
| N1 | C4 | C8 | 112.7° | 109.5° |
| N1 | C4 | H5 | 110.2° | 109.5° |
| C4 | N1 | H10 | 109.5° | 111.0° |
| C4 | N1 | H11 | 109.5° | 111.0° |
| N3 | C3 | N4 | 119.4° | 120.0° |
| N3 | C3 | N2 | 120.2° | 120.0° |
| C3 | N3 | H13 | 112.0° | 120.0° |
| O1 | C5 | C4 | 120.6° | 120.0° |
| O1 | C5 | N5 | 124.6° | 120.0° |
| C5 | C4 | C8 | 106.1° | 109.5° |
| C5 | C4 | H5 | 109.5° | 109.5° |
| C4 | C5 | N5 | 114.8° | 120.0° |
| C4 | C8 | C2 | 112.2° | 109.4° |
| C8 | C4 | H5 | 109.3° | 109.5° |
| C4 | C8 | H8 | 108.8° | 109.4° |
| C4 | C8 | H9 | 108.8° | 109.4° |
| C8 | C2 | C6 | 110.7° | 109.5° |
| C8 | C2 | H3 | 109.1° | 109.5° |
| C8 | C2 | H4 | 109.2° | 109.4° |
| C2 | C8 | H8 | 108.8° | 109.5° |
| C2 | C8 | H9 | 108.8° | 109.5° |
| C2 | C6 | N2 | 108.1° | 109.5° |
| C6 | C2 | H3 | 109.2° | 109.5° |
| C6 | C2 | H4 | 109.1° | 109.4° |
| C2 | C6 | H6 | 109.8° | 109.5° |
| C2 | C6 | H7 | 109.8° | 109.5° |
| N4 | C3 | N2 | 120.4° | 120.0° |
| C3 | N4 | C1 | 124.1° | 120.0° |
| C3 | N4 | H14 | 118.0° | 120.1° |
| C3 | N2 | C6 | 124.5° | 120.0° |
| C3 | N2 | H12 | 117.8° | 120.0° |
| N4 | C1 | C7 | 109.2° | 109.5° |
| N4 | C1 | H1 | 109.5° | 109.5° |
| N4 | C1 | H2 | 109.6° | 109.4° |
| C1 | N4 | H14 | 117.9° | 119.9° |
| N2 | C6 | H6 | 109.8° | 109.4° |
| N2 | C6 | H7 | 109.8° | 109.4° |
| C6 | N2 | H12 | 117.7° | 120.0° |
| C1 | C7 | F2 | 109.6° | 109.4° |
| C1 | C7 | F1 | 109.1° | 109.5° |
| C1 | C7 | F3 | 109.6° | 109.5° |
| C7 | C1 | H1 | 109.5° | 109.5° |
| C7 | C1 | H2 | 109.5° | 109.4° |
| F2 | C7 | F1 | 109.5° | 109.5° |
| F2 | C7 | F3 | 109.4° | 109.4° |
| F1 | C7 | F3 | 109.7° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H10 | N1 | H11 | 109.5° | 111.0° |
| C9 | N5 | H15 | 118.7° | 120.0° |
| N5 | C9 | C10 | 105.5° | 109.5° |
| N5 | C9 | C11 | 113.6° | 109.5° |
| N5 | C9 | H16 | 109.8° | 109.5° |
| C9 | N5 | C5 | 122.6° | 120.0° |
| H15 | N5 | C5 | 118.7° | 120.0° |
| C10 | C9 | C11 | 109.9° | 109.5° |
| C10 | C9 | H16 | 109.0° | 109.5° |
| C9 | C10 | O2 | 121.0° | 120.0° |
| C9 | C10 | N7 | 114.9° | 120.0° |
| C11 | C9 | H16 | 108.9° | 109.4° |
| C9 | C11 | C12 | 108.7° | 109.5° |
| C9 | C11 | H17 | 109.7° | 109.5° |
| C9 | C11 | H18 | 109.7° | 109.5° |
| O2 | C10 | N7 | 124.0° | 120.0° |
| C12 | C11 | H17 | 109.6° | 109.5° |
| C12 | C11 | H18 | 109.7° | 109.5° |
| C11 | C12 | C13 | 119.9° | 119.9° |
| C11 | C12 | C14 | 120.3° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| C13 | C12 | C14 | 119.8° | 120.1° |
| C12 | C13 | C15 | 119.6° | 120.1° |
| C12 | C13 | H19 | 120.2° | 120.0° |
| C12 | C14 | C16 | 120.6° | 120.1° |
| C12 | C14 | H20 | 119.7° | 119.9° |
| C15 | C13 | H19 | 120.2° | 120.0° |
| C13 | C15 | C17 | 120.6° | 119.9° |
| C13 | C15 | N6 | 122.1° | 120.0° |
| C16 | C14 | H20 | 119.7° | 120.0° |
| C14 | C16 | C17 | 119.2° | 119.9° |
| C14 | C16 | H21 | 120.4° | 120.0° |
| C17 | C15 | N6 | 117.3° | 120.1° |
| C15 | C17 | C16 | 120.3° | 119.9° |
| C15 | C17 | O3 | 117.2° | 120.1° |
| C15 | N6 | O4 | 118.4° | 120.0° |
| C15 | N6 | O5 | 119.1° | 120.0° |
| C17 | C16 | H21 | 120.4° | 120.1° |
| C16 | C17 | O3 | 122.5° | 120.0° |
| C17 | O3 | H22 | 109.5° | 114.0° |
| O4 | N6 | O5 | 122.5° | 120.0° |
| C18 | N7 | H23 | 119.1° | 120.0° |
| N7 | C18 | C19 | 109.6° | 109.5° |
| N7 | C18 | C20 | 109.2° | 109.5° |
| N7 | C18 | H24 | 109.9° | 109.5° |
| C18 | N7 | C10 | 121.8° | 120.0° |
| H23 | N7 | C10 | 119.1° | 120.0° |
| C19 | C18 | C20 | 110.1° | 109.5° |
| C19 | C18 | H24 | 109.0° | 109.5° |
| C18 | C19 | O6 | 121.2° | 120.0° |
| C18 | C19 | N8 | 115.1° | 120.0° |
| C20 | C18 | H24 | 109.0° | 109.4° |
| C18 | C20 | C21 | 109.6° | 109.5° |
| C18 | C20 | H25 | 109.4° | 109.5° |
| C18 | C20 | H26 | 109.4° | 109.5° |
| O6 | C19 | N8 | 123.8° | 120.0° |
| C21 | C20 | H25 | 109.4° | 109.5° |
| C21 | C20 | H26 | 109.4° | 109.5° |
| C20 | C21 | C22 | 120.3° | 120.0° |
| C20 | C21 | C23 | 119.9° | 120.0° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| C22 | C21 | C23 | 119.8° | 120.0° |
| C21 | C22 | C24 | 120.1° | 120.0° |
| C21 | C22 | H27 | 120.0° | 120.0° |
| C21 | C23 | C25 | 120.2° | 120.0° |
| C21 | C23 | H28 | 119.9° | 120.0° |
| C24 | C22 | H27 | 119.9° | 120.0° |
| C22 | C24 | C26 | 120.0° | 120.0° |
| C22 | C24 | H29 | 120.0° | 120.0° |
| C25 | C23 | H28 | 119.9° | 120.1° |
| C23 | C25 | C26 | 119.9° | 120.0° |
| C23 | C25 | H30 | 120.1° | 120.0° |
| C26 | C24 | H29 | 120.0° | 120.0° |
| C24 | C26 | C25 | 120.0° | 120.0° |
| C24 | C26 | H31 | 120.0° | 120.0° |
| C26 | C25 | H30 | 120.0° | 120.0° |
| C25 | C26 | H31 | 120.0° | 120.0° |
| H32 | N8 | H33 | 120.0° | 120.0° |
| H32 | N8 | C19 | 120.0° | 120.1° |
| H33 | N8 | C19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C5 | O1 | 22.8° | 20.0° |
| N1 | C4 | C5 | C8 | 121.5° | 120.0° |
| N1 | C4 | C5 | H5 | 120.6° | 120.0° |
| N1 | C4 | C8 | H5 | 122.9° | 120.0° |
| N1 | C4 | C8 | C2 | 53.1° | 65.0° |
| N1 | C4 | C8 | H8 | 67.3° | 175.0° |
| N1 | C4 | C8 | H9 | 173.6° | 55.0° |
| C4 | N1 | H10 | H11 | 120.0° | 124.0° |
| N1 | C4 | C5 | N5 | 158.6° | 160.1° |
| N3 | C3 | N4 | N2 | 179.9° | 180.0° |
| N3 | C3 | N4 | C1 | 179.7° | 0.1° |
| N3 | C3 | N2 | C6 | 0.7° | 0.0° |
| N3 | C3 | N2 | H12 | 179.3° | 180.0° |
| N3 | C3 | N4 | H14 | 0.3° | 180.0° |
| O1 | C5 | C4 | N5 | 178.6° | 179.9° |
| O1 | C5 | C4 | C8 | 98.8° | 99.9° |
| O1 | C5 | C4 | H5 | 143.4° | 140.0° |
| O1 | C5 | N5 | C9 | 3.6° | 0.0° |
| O1 | C5 | N5 | H15 | 176.4° | 179.9° |
| C5 | C4 | C8 | H5 | 118.0° | 120.0° |
| C5 | C4 | C8 | C2 | 172.2° | 175.0° |
| C5 | C4 | C8 | H8 | 51.8° | 55.0° |
| C5 | C4 | C8 | H9 | 67.4° | 65.0° |
| C5 | C4 | N1 | H10 | 180.0° | 60.0° |
| C5 | C4 | N1 | H11 | 60.0° | 176.0° |
| C4 | C5 | N5 | C9 | 174.9° | 180.0° |
| C4 | C5 | N5 | H15 | 5.1° | 0.0° |
| C4 | C8 | C2 | H8 | 120.4° | 120.0° |
| C4 | C8 | C2 | H9 | 120.4° | 120.0° |
| C4 | C8 | C2 | C6 | 73.4° | 180.0° |
| C4 | C8 | C2 | H3 | 46.8° | 60.0° |
| C4 | C8 | C2 | H4 | 166.4° | 60.0° |
| C4 | C8 | H8 | H9 | 118.7° | 120.0° |
| C8 | C4 | N1 | H10 | 62.5° | 60.0° |
| C8 | C4 | N1 | H11 | 177.4° | 64.0° |
| C8 | C4 | C5 | N5 | 79.8° | 80.0° |
| C8 | C2 | C6 | H3 | 120.2° | 120.1° |
| C8 | C2 | C6 | H4 | 120.2° | 119.9° |
| C8 | C2 | C6 | N2 | 159.9° | 180.0° |
| C8 | C2 | H3 | H4 | 119.4° | 120.0° |
| C2 | C8 | C4 | H5 | 69.8° | 55.0° |
| C8 | C2 | C6 | H6 | 40.1° | 60.0° |
| C8 | C2 | C6 | H7 | 80.4° | 60.0° |
| C2 | C8 | H8 | H9 | 118.7° | 120.0° |
| C2 | C6 | N2 | C3 | 80.5° | 180.0° |
| C2 | C6 | N2 | H6 | 119.8° | 120.0° |
| C2 | C6 | N2 | H7 | 119.8° | 120.1° |
| C6 | C2 | H3 | H4 | 119.4° | 120.0° |
| C2 | C6 | H6 | H7 | 120.6° | 120.1° |
| C6 | C2 | C8 | H8 | 166.2° | 60.0° |
| C6 | C2 | C8 | H9 | 47.0° | 60.1° |
| C2 | C6 | N2 | H12 | 99.5° | 0.1° |
| C3 | N4 | C1 | H14 | 180.0° | 179.9° |
| N4 | C3 | N2 | C6 | 179.3° | 180.0° |
| C3 | N4 | C1 | C7 | 95.0° | 180.0° |
| C3 | N4 | C1 | H1 | 145.1° | 60.0° |
| C3 | N4 | C1 | H2 | 25.0° | 60.1° |
| N4 | C3 | N2 | H12 | 0.6° | 0.1° |
| N4 | C3 | N3 | H13 | 180.0° | 180.0° |
| N2 | C3 | N4 | C1 | 0.3° | 180.0° |
| C3 | N2 | C6 | H12 | 180.0° | 180.0° |
| C3 | N2 | C6 | H6 | 159.7° | 60.0° |
| C3 | N2 | C6 | H7 | 39.3° | 59.9° |
| N2 | C3 | N3 | H13 | 0.0° | 0.0° |
| N2 | C3 | N4 | H14 | 179.7° | 0.0° |
| N4 | C1 | C7 | H1 | 119.9° | 120.0° |
| N4 | C1 | C7 | H2 | 120.0° | 119.9° |
| N4 | C1 | C7 | F2 | 67.7° | 180.0° |
| N4 | C1 | C7 | F1 | 52.1° | 59.9° |
| N4 | C1 | C7 | F3 | 172.2° | 60.1° |
| N4 | C1 | H1 | H2 | 120.1° | 120.0° |
| N2 | C6 | C2 | H3 | 79.9° | 60.0° |
| N2 | C6 | C2 | H4 | 39.7° | 60.1° |
| N2 | C6 | H6 | H7 | 120.6° | 119.9° |
| C1 | C7 | F2 | F1 | 119.6° | 120.0° |
| C1 | C7 | F2 | F3 | 120.2° | 119.9° |
| C1 | C7 | F1 | F3 | 120.0° | 120.0° |
| C7 | C1 | H1 | H2 | 120.1° | 120.0° |
| C7 | C1 | N4 | H14 | 85.0° | 0.1° |
| F2 | C7 | F1 | F3 | 120.1° | 120.0° |
| F2 | C7 | C1 | H1 | 52.3° | 60.0° |
| F2 | C7 | C1 | H2 | 172.4° | 60.1° |
| F1 | C7 | C1 | H1 | 172.1° | 180.0° |
| F1 | C7 | C1 | H2 | 67.9° | 60.0° |
| F3 | C7 | C1 | H1 | 67.8° | 59.9° |
| F3 | C7 | C1 | H2 | 52.2° | 180.0° |
| H1 | C1 | N4 | H14 | 34.9° | 120.0° |
| H2 | C1 | N4 | H14 | 155.0° | 120.0° |
| H3 | C2 | C6 | H6 | 160.3° | 60.0° |
| H3 | C2 | C6 | H7 | 39.8° | 180.0° |
| H3 | C2 | C8 | H8 | 73.6° | 180.0° |
| H3 | C2 | C8 | H9 | 167.2° | 60.0° |
| H4 | C2 | C6 | H6 | 80.1° | 180.0° |
| H4 | C2 | C6 | H7 | 159.4° | 60.0° |
| H4 | C2 | C8 | H8 | 46.0° | 60.0° |
| H4 | C2 | C8 | H9 | 73.1° | 180.0° |
| H5 | C4 | C8 | H8 | 169.8° | 65.0° |
| H5 | C4 | C8 | H9 | 50.6° | 175.0° |
| H5 | C4 | N1 | H10 | 59.9° | 179.9° |
| H5 | C4 | N1 | H11 | 60.2° | 56.0° |
| H5 | C4 | C5 | N5 | 38.0° | 40.1° |
| H6 | C6 | N2 | H12 | 20.3° | 120.1° |
| H7 | C6 | N2 | H12 | 140.7° | 120.0° |
| C9 | N5 | H15 | C5 | 180.0° | 180.0° |
| N5 | C9 | C10 | C11 | 122.9° | 120.0° |
| N5 | C9 | C10 | H16 | 117.8° | 120.1° |
| N5 | C9 | C11 | H16 | 122.7° | 120.0° |
| N5 | C9 | C10 | O2 | 68.3° | 0.0° |
| N5 | C9 | C11 | C12 | 177.0° | 65.0° |
| N5 | C9 | C11 | H17 | 57.1° | 55.0° |
| N5 | C9 | C11 | H18 | 63.1° | 174.9° |
| N5 | C9 | C10 | N7 | 110.0° | 180.0° |
| H15 | N5 | C9 | C10 | 46.0° | 24.9° |
| H15 | N5 | C9 | C11 | 74.4° | 95.0° |
| H15 | N5 | C9 | H16 | 163.3° | 145.0° |
| C10 | C9 | C11 | H16 | 119.3° | 120.0° |
| C9 | C10 | O2 | N7 | 178.1° | 180.0° |
| C10 | C9 | C11 | C12 | 65.1° | 175.0° |
| C10 | C9 | C11 | H17 | 175.0° | 65.0° |
| C10 | C9 | C11 | H18 | 54.8° | 54.9° |
| C9 | C10 | N7 | C18 | 179.2° | 180.0° |
| C9 | C10 | N7 | H23 | 0.8° | 0.0° |
| C10 | C9 | N5 | C5 | 134.0° | 155.0° |
| C11 | C9 | C10 | O2 | 54.6° | 120.0° |
| C9 | C11 | C12 | H17 | 119.9° | 120.0° |
| C9 | C11 | C12 | H18 | 119.9° | 120.0° |
| C9 | C11 | H17 | H18 | 120.3° | 120.0° |
| C9 | C11 | C12 | C13 | 42.8° | 89.9° |
| C9 | C11 | C12 | C14 | 137.2° | 90.3° |
| C11 | C9 | N5 | C5 | 105.6° | 85.0° |
| C11 | C9 | C10 | N7 | 127.2° | 60.0° |
| H16 | C9 | C10 | O2 | 173.9° | 120.0° |
| H16 | C9 | C11 | C12 | 54.3° | 55.0° |
| H16 | C9 | C11 | H17 | 65.6° | 175.0° |
| H16 | C9 | C11 | H18 | 174.2° | 65.0° |
| H16 | C9 | N5 | C5 | 16.7° | 35.0° |
| H16 | C9 | C10 | N7 | 7.9° | 60.0° |
| O2 | C10 | N7 | C18 | 1.0° | 0.0° |
| O2 | C10 | N7 | H23 | 179.0° | 180.0° |
| C12 | C11 | H17 | H18 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 180.0° | 179.8° |
| C11 | C12 | C13 | C15 | 180.0° | 180.0° |
| C11 | C12 | C13 | H19 | 0.1° | 0.1° |
| C11 | C12 | C14 | C16 | 179.9° | 180.0° |
| C11 | C12 | C14 | H20 | 0.1° | 0.0° |
| H17 | C11 | C12 | C13 | 77.1° | 30.1° |
| H17 | C11 | C12 | C14 | 102.9° | 149.7° |
| H18 | C11 | C12 | C13 | 162.7° | 150.0° |
| H18 | C11 | C12 | C14 | 17.3° | 29.7° |
| C12 | C13 | C15 | H19 | 180.0° | 179.9° |
| C13 | C12 | C14 | C16 | 0.0° | 0.2° |
| C13 | C12 | C14 | H20 | 180.0° | 179.8° |
| C12 | C13 | C15 | C17 | 0.1° | 0.1° |
| C12 | C13 | C15 | N6 | 179.7° | 180.0° |
| C14 | C12 | C13 | C15 | 0.0° | 0.2° |
| C14 | C12 | C13 | H19 | 180.0° | 179.7° |
| C12 | C14 | C16 | H20 | 180.0° | 180.0° |
| C12 | C14 | C16 | C17 | 0.0° | 0.1° |
| C12 | C14 | C16 | H21 | 180.0° | 179.9° |
| C13 | C15 | C17 | N6 | 179.7° | 179.9° |
| C13 | C15 | C17 | C16 | 0.1° | 0.3° |
| C13 | C15 | C17 | O3 | 180.0° | 180.0° |
| C13 | C15 | N6 | O4 | 25.2° | 0.1° |
| C13 | C15 | N6 | O5 | 155.1° | 180.0° |
| H19 | C13 | C15 | C17 | 180.0° | 180.0° |
| H19 | C13 | C15 | N6 | 0.3° | 0.1° |
| C14 | C16 | C17 | C15 | 0.1° | 0.3° |
| C14 | C16 | C17 | H21 | 180.0° | 179.9° |
| C14 | C16 | C17 | O3 | 180.0° | 180.0° |
| H20 | C14 | C16 | C17 | 180.0° | 179.9° |
| H20 | C14 | C16 | H21 | 0.0° | 0.0° |
| C15 | C17 | C16 | O3 | 179.9° | 179.7° |
| C15 | C17 | C16 | H21 | 179.9° | 179.8° |
| C15 | C17 | O3 | H22 | 13.3° | 90.0° |
| C17 | C15 | N6 | O4 | 154.4° | 180.0° |
| C17 | C15 | N6 | O5 | 25.2° | 0.1° |
| N6 | C15 | C17 | C16 | 179.8° | 179.8° |
| N6 | C15 | C17 | O3 | 0.3° | 0.1° |
| C15 | N6 | O4 | O5 | 179.7° | 179.9° |
| C16 | C17 | O3 | H22 | 166.6° | 89.7° |
| H21 | C16 | C17 | O3 | 0.0° | 0.1° |
| C18 | N7 | H23 | C10 | 180.0° | 180.0° |
| N7 | C18 | C19 | C20 | 120.2° | 120.0° |
| N7 | C18 | C19 | H24 | 120.3° | 120.0° |
| N7 | C18 | C20 | H24 | 120.0° | 120.0° |
| N7 | C18 | C19 | O6 | 12.9° | 0.0° |
| N7 | C18 | C20 | C21 | 74.7° | 65.0° |
| N7 | C18 | C20 | H25 | 45.3° | 55.0° |
| N7 | C18 | C20 | H26 | 165.3° | 175.0° |
| N7 | C18 | C19 | N8 | 167.0° | 180.0° |
| H23 | N7 | C18 | C19 | 86.8° | 95.0° |
| H23 | N7 | C18 | C20 | 34.0° | 25.0° |
| H23 | N7 | C18 | H24 | 153.5° | 144.9° |
| C19 | C18 | C20 | H24 | 119.5° | 120.0° |
| C18 | C19 | O6 | N8 | 179.9° | 180.0° |
| C19 | C18 | C20 | C21 | 164.8° | 175.0° |
| C19 | C18 | C20 | H25 | 75.2° | 65.0° |
| C19 | C18 | C20 | H26 | 44.8° | 55.0° |
| C18 | C19 | N8 | H32 | 179.9° | 0.0° |
| C18 | C19 | N8 | H33 | 0.1° | 180.0° |
| C19 | C18 | N7 | C10 | 93.2° | 85.0° |
| C20 | C18 | C19 | O6 | 107.3° | 120.0° |
| C18 | C20 | C21 | H25 | 120.0° | 120.0° |
| C18 | C20 | C21 | H26 | 120.0° | 120.0° |
| C18 | C20 | H25 | H26 | 120.0° | 120.0° |
| C18 | C20 | C21 | C22 | 92.7° | 90.0° |
| C18 | C20 | C21 | C23 | 87.3° | 90.3° |
| C20 | C18 | N7 | C10 | 146.0° | 155.0° |
| C20 | C18 | C19 | N8 | 72.8° | 60.0° |
| H24 | C18 | C19 | O6 | 133.2° | 120.0° |
| H24 | C18 | C20 | C21 | 45.3° | 55.0° |
| H24 | C18 | C20 | H25 | 165.3° | 175.0° |
| H24 | C18 | C20 | H26 | 74.7° | 65.0° |
| H24 | C18 | N7 | C10 | 26.5° | 35.0° |
| H24 | C18 | C19 | N8 | 46.8° | 60.0° |
| O6 | C19 | N8 | H32 | 0.0° | 180.0° |
| O6 | C19 | N8 | H33 | 180.0° | 0.0° |
| C21 | C20 | H25 | H26 | 119.9° | 120.0° |
| C20 | C21 | C22 | C23 | 180.0° | 179.7° |
| C20 | C21 | C22 | C24 | 179.9° | 180.0° |
| C20 | C21 | C22 | H27 | 0.0° | 0.1° |
| C20 | C21 | C23 | C25 | 180.0° | 180.0° |
| C20 | C21 | C23 | H28 | 0.0° | 0.0° |
| H25 | C20 | C21 | C22 | 27.4° | 30.0° |
| H25 | C20 | C21 | C23 | 152.6° | 149.7° |
| H26 | C20 | C21 | C22 | 147.3° | 150.0° |
| H26 | C20 | C21 | C23 | 32.7° | 29.7° |
| C21 | C22 | C24 | H27 | 180.0° | 179.9° |
| C22 | C21 | C23 | C25 | 0.0° | 0.3° |
| C22 | C21 | C23 | H28 | 180.0° | 179.7° |
| C21 | C22 | C24 | C26 | 0.1° | 0.1° |
| C21 | C22 | C24 | H29 | 179.9° | 179.9° |
| C23 | C21 | C22 | C24 | 0.1° | 0.3° |
| C23 | C21 | C22 | H27 | 179.9° | 179.8° |
| C21 | C23 | C25 | H28 | 180.0° | 180.0° |
| C21 | C23 | C25 | C26 | 0.0° | 0.0° |
| C21 | C23 | C25 | H30 | 180.0° | 180.0° |
| C22 | C24 | C26 | H29 | 180.0° | 180.0° |
| C22 | C24 | C26 | C25 | 0.0° | 0.2° |
| C22 | C24 | C26 | H31 | 180.0° | 180.0° |
| H27 | C22 | C24 | C26 | 179.9° | 180.0° |
| H27 | C22 | C24 | H29 | 0.1° | 0.0° |
| C23 | C25 | C26 | C24 | 0.0° | 0.2° |
| C23 | C25 | C26 | H30 | 180.0° | 179.9° |
| C23 | C25 | C26 | H31 | 180.0° | 179.9° |
| H28 | C23 | C25 | C26 | 179.9° | 180.0° |
| H28 | C23 | C25 | H30 | 0.0° | 0.0° |
| C24 | C26 | C25 | H31 | 180.0° | 179.9° |
| C24 | C26 | C25 | H30 | 180.0° | 179.7° |
| H29 | C24 | C26 | C25 | 180.0° | 179.8° |
| H29 | C24 | C26 | H31 | 0.0° | 0.1° |
| H30 | C25 | C26 | H31 | 0.0° | 0.1° |
| H32 | N8 | H33 | C19 | 180.0° | 179.9° |
