PRD_002579
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 | 1.32Å | |
| O1 | C5 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C8 | sing | 1.53Å | 1.55Å | |
| C2 | C8 | sing | 1.53Å | 1.54Å | |
| C2 | C6 | sing | 1.53Å | 1.52Å | |
| C3 | N4 | sing | 1.38Å | 1.33Å | |
| C3 | N2 | sing | 1.37Å | 1.32Å | |
| N4 | C1 | sing | 1.46Å | 1.47Å | |
| C6 | N2 | sing | 1.46Å | 1.49Å | |
| C1 | C7 | sing | 1.53Å | 1.52Å | |
| F2 | C7 | sing | 1.40Å | 1.35Å | |
| C7 | F1 | sing | 1.40Å | 1.30Å | |
| C7 | F3 | sing | 1.40Å | 1.31Å | |
| 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 | 1.48Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C18 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.45Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | O3 | doub | 1.21Å | 1.22Å | |
| N6 | C19 | sing | 1.46Å | 1.48Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | O4 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.51Å | 1.41Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| N7 | H36 | sing | 0.97Å | 1.00Å | |
| C5 | N5 | sing | 1.35Å | 1.34Å | |
| C18 | N6 | sing | 1.35Å | 1.35Å | |
| C20 | N7 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C4 | C5 | 108.0° | 109.4° |
| N1 | C4 | C8 | 112.5° | 109.5° |
| N1 | C4 | H5 | 110.6° | 109.5° |
| C4 | N1 | H10 | 109.5° | 111.0° |
| C4 | N1 | H11 | 109.4° | 111.0° |
| N3 | C3 | N4 | 118.3° | 120.0° |
| N3 | C3 | N2 | 120.6° | 120.0° |
| C3 | N3 | H13 | 112.0° | 120.0° |
| O1 | C5 | C4 | 120.2° | 120.1° |
| O1 | C5 | N5 | 124.9° | 120.0° |
| C5 | C4 | C8 | 106.5° | 109.5° |
| C5 | C4 | H5 | 109.8° | 109.5° |
| C4 | C5 | N5 | 114.9° | 120.0° |
| C4 | C8 | C2 | 115.3° | 109.5° |
| C8 | C4 | H5 | 109.4° | 109.5° |
| C4 | C8 | H8 | 108.0° | 109.5° |
| C4 | C8 | H9 | 108.0° | 109.5° |
| C8 | C2 | C6 | 112.7° | 109.5° |
| C8 | C2 | H3 | 108.7° | 109.4° |
| C8 | C2 | H4 | 108.7° | 109.5° |
| C2 | C8 | H8 | 108.0° | 109.5° |
| C2 | C8 | H9 | 108.0° | 109.5° |
| C2 | C6 | N2 | 108.8° | 109.4° |
| C6 | C2 | H3 | 108.6° | 109.5° |
| C6 | C2 | H4 | 108.7° | 109.5° |
| C2 | C6 | H6 | 109.7° | 109.5° |
| C2 | C6 | H7 | 109.7° | 109.5° |
| N4 | C3 | N2 | 121.2° | 120.0° |
| C3 | N4 | C1 | 123.5° | 120.0° |
| C3 | N4 | H14 | 118.2° | 120.0° |
| C3 | N2 | C6 | 124.1° | 120.0° |
| C3 | N2 | H12 | 117.9° | 120.0° |
| N4 | C1 | C7 | 112.3° | 109.5° |
| N4 | C1 | H1 | 108.8° | 109.5° |
| N4 | C1 | H2 | 108.7° | 109.5° |
| C1 | N4 | H14 | 118.2° | 120.0° |
| N2 | C6 | H6 | 109.6° | 109.5° |
| N2 | C6 | H7 | 109.6° | 109.5° |
| C6 | N2 | H12 | 118.0° | 120.0° |
| C1 | C7 | F2 | 109.7° | 109.5° |
| C1 | C7 | F1 | 111.5° | 109.4° |
| C1 | C7 | F3 | 108.9° | 109.5° |
| C7 | C1 | H1 | 108.7° | 109.5° |
| C7 | C1 | H2 | 108.7° | 109.5° |
| F2 | C7 | F1 | 109.8° | 109.5° |
| F2 | C7 | F3 | 110.8° | 109.5° |
| F1 | C7 | F3 | 106.1° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.4° | 109.4° |
| H10 | N1 | H11 | 109.5° | 111.0° |
| C9 | N5 | H15 | 119.3° | 120.0° |
| N5 | C9 | C18 | 104.7° | 109.5° |
| N5 | C9 | C10 | 114.2° | 109.5° |
| N5 | C9 | H16 | 110.1° | 109.5° |
| C9 | N5 | C5 | 121.4° | 120.0° |
| H15 | N5 | C5 | 119.3° | 119.9° |
| C18 | C9 | C10 | 108.5° | 109.5° |
| C18 | C9 | H16 | 109.7° | 109.5° |
| C9 | C18 | O3 | 120.6° | 120.0° |
| C9 | C18 | N6 | 114.6° | 120.0° |
| C10 | C9 | H16 | 109.4° | 109.4° |
| C9 | C10 | C11 | 110.2° | 109.5° |
| C9 | C10 | H17 | 109.3° | 109.5° |
| C9 | C10 | H18 | 109.3° | 109.5° |
| C11 | C10 | H17 | 109.3° | 109.5° |
| C11 | C10 | H18 | 109.3° | 109.4° |
| C10 | C11 | C12 | 121.5° | 119.9° |
| C10 | C11 | C17 | 122.1° | 119.9° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| C12 | C11 | C17 | 116.4° | 120.1° |
| C11 | C12 | C13 | 121.3° | 120.1° |
| C11 | C12 | H19 | 119.4° | 120.0° |
| C11 | C17 | C16 | 122.5° | 120.0° |
| C11 | C17 | H20 | 118.7° | 120.0° |
| C13 | C12 | H19 | 119.4° | 120.0° |
| C12 | C13 | C14 | 121.4° | 119.9° |
| C12 | C13 | H21 | 119.3° | 120.1° |
| C14 | C13 | H21 | 119.3° | 120.0° |
| C13 | C14 | O2 | 117.5° | 120.0° |
| C13 | C14 | C16 | 119.3° | 119.9° |
| C14 | O2 | C15 | 112.1° | 117.0° |
| O2 | C14 | C16 | 123.1° | 120.1° |
| O2 | C15 | H23 | 109.5° | 109.5° |
| O2 | C15 | H24 | 109.4° | 109.5° |
| O2 | C15 | H25 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| H23 | C15 | H25 | 109.5° | 109.4° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| C14 | C16 | H22 | 120.5° | 120.0° |
| C14 | C16 | C17 | 119.1° | 120.0° |
| H22 | C16 | C17 | 120.4° | 120.0° |
| C16 | C17 | H20 | 118.8° | 120.0° |
| O3 | C18 | N6 | 124.8° | 120.0° |
| C19 | N6 | H26 | 119.8° | 120.0° |
| N6 | C19 | C20 | 111.2° | 109.5° |
| N6 | C19 | C21 | 111.2° | 109.5° |
| N6 | C19 | H27 | 109.0° | 109.5° |
| C19 | N6 | C18 | 120.3° | 120.0° |
| H26 | N6 | C18 | 119.9° | 120.0° |
| C20 | C19 | C21 | 108.7° | 109.5° |
| C20 | C19 | H27 | 108.4° | 109.5° |
| C19 | C20 | O4 | 122.1° | 120.0° |
| C19 | C20 | N7 | 113.9° | 120.0° |
| C21 | C19 | H27 | 108.2° | 109.5° |
| C19 | C21 | C22 | 113.5° | 109.5° |
| C19 | C21 | H28 | 108.5° | 109.4° |
| C19 | C21 | H29 | 108.5° | 109.5° |
| O4 | C20 | N7 | 124.0° | 120.0° |
| C22 | C21 | H28 | 108.4° | 109.5° |
| C22 | C21 | H29 | 108.5° | 109.5° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C21 | C22 | C24 | 120.7° | 120.0° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| C23 | C22 | C24 | 119.1° | 120.0° |
| C22 | C23 | C25 | 121.1° | 120.0° |
| C22 | C23 | H30 | 119.5° | 120.0° |
| C22 | C24 | C26 | 120.1° | 120.0° |
| C22 | C24 | H31 | 119.9° | 120.0° |
| C25 | C23 | H30 | 119.5° | 120.0° |
| C23 | C25 | C27 | 119.3° | 120.0° |
| C23 | C25 | H32 | 120.3° | 120.0° |
| C26 | C24 | H31 | 119.9° | 120.0° |
| C24 | C26 | C27 | 120.2° | 120.0° |
| C24 | C26 | H33 | 119.9° | 120.0° |
| C27 | C25 | H32 | 120.4° | 120.0° |
| C25 | C27 | C26 | 120.2° | 120.0° |
| C25 | C27 | H34 | 119.9° | 120.0° |
| C27 | C26 | H33 | 119.9° | 120.0° |
| C26 | C27 | H34 | 119.9° | 120.0° |
| H35 | N7 | H36 | 120.0° | 120.0° |
| H35 | N7 | C20 | 120.0° | 120.0° |
| H36 | N7 | C20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C5 | O1 | 21.4° | 19.9° |
| N1 | C4 | C5 | C8 | 121.0° | 120.0° |
| N1 | C4 | C5 | H5 | 120.7° | 120.0° |
| N1 | C4 | C8 | H5 | 123.3° | 120.0° |
| N1 | C4 | C8 | C2 | 58.0° | 65.0° |
| N1 | C4 | C8 | H8 | 62.8° | 174.9° |
| N1 | C4 | C8 | H9 | 178.9° | 55.0° |
| C4 | N1 | H10 | H11 | 120.0° | 124.0° |
| N1 | C4 | C5 | N5 | 158.7° | 160.0° |
| N3 | C3 | N4 | N2 | 179.2° | 179.9° |
| N3 | C3 | N4 | C1 | 174.5° | 0.1° |
| N3 | C3 | N2 | C6 | 3.5° | 0.1° |
| N3 | C3 | N2 | H12 | 176.5° | 180.0° |
| N3 | C3 | N4 | H14 | 5.5° | 180.0° |
| O1 | C5 | C4 | N5 | 179.9° | 179.9° |
| O1 | C5 | C4 | C8 | 99.6° | 100.0° |
| O1 | C5 | C4 | H5 | 142.1° | 139.9° |
| O1 | C5 | N5 | C9 | 5.5° | 0.1° |
| O1 | C5 | N5 | H15 | 174.5° | 179.9° |
| C5 | C4 | C8 | H5 | 118.6° | 120.0° |
| C5 | C4 | C8 | C2 | 176.1° | 175.0° |
| C5 | C4 | C8 | H8 | 55.3° | 55.0° |
| C5 | C4 | C8 | H9 | 63.0° | 64.9° |
| C5 | C4 | N1 | H10 | 180.0° | 64.0° |
| C5 | C4 | N1 | H11 | 60.0° | 60.0° |
| C4 | C5 | N5 | C9 | 174.4° | 180.0° |
| C4 | C5 | N5 | H15 | 5.6° | 0.0° |
| C4 | C8 | C2 | H8 | 120.9° | 120.0° |
| C4 | C8 | C2 | H9 | 120.9° | 120.0° |
| C4 | C8 | C2 | C6 | 65.8° | 180.0° |
| C4 | C8 | C2 | H3 | 54.6° | 60.0° |
| C4 | C8 | C2 | H4 | 173.7° | 60.0° |
| C4 | C8 | H8 | H9 | 117.4° | 120.0° |
| C8 | C4 | N1 | H10 | 62.8° | 176.0° |
| C8 | C4 | N1 | H11 | 177.2° | 60.0° |
| C8 | C4 | C5 | N5 | 80.3° | 80.0° |
| C8 | C2 | C6 | H3 | 120.5° | 119.9° |
| C8 | C2 | C6 | H4 | 120.5° | 120.0° |
| C8 | C2 | C6 | N2 | 161.5° | 180.0° |
| C8 | C2 | H3 | H4 | 118.5° | 120.0° |
| C2 | C8 | C4 | H5 | 65.3° | 55.0° |
| C8 | C2 | C6 | H6 | 41.6° | 60.0° |
| C8 | C2 | C6 | H7 | 78.6° | 60.0° |
| C2 | C8 | H8 | H9 | 117.3° | 120.0° |
| C2 | C6 | N2 | C3 | 81.3° | 180.0° |
| C2 | C6 | N2 | H6 | 119.9° | 120.0° |
| C2 | C6 | N2 | H7 | 119.9° | 119.9° |
| C6 | C2 | H3 | H4 | 118.6° | 120.1° |
| C2 | C6 | H6 | H7 | 120.3° | 120.0° |
| C6 | C2 | C8 | H8 | 173.3° | 60.0° |
| C6 | C2 | C8 | H9 | 55.0° | 60.0° |
| C2 | C6 | N2 | H12 | 98.7° | 0.1° |
| C3 | N4 | C1 | H14 | 180.0° | 180.0° |
| N4 | C3 | N2 | C6 | 177.3° | 180.0° |
| C3 | N4 | C1 | C7 | 96.6° | 180.0° |
| C3 | N4 | C1 | H1 | 143.0° | 60.0° |
| C3 | N4 | C1 | H2 | 23.8° | 60.0° |
| N4 | C3 | N2 | H12 | 2.7° | 0.1° |
| N4 | C3 | N3 | H13 | 179.2° | 180.0° |
| N2 | C3 | N4 | C1 | 6.3° | 180.0° |
| C3 | N2 | C6 | H12 | 180.0° | 179.9° |
| C3 | N2 | C6 | H6 | 158.8° | 60.0° |
| C3 | N2 | C6 | H7 | 38.6° | 60.1° |
| N2 | C3 | N3 | H13 | 0.0° | 0.1° |
| N2 | C3 | N4 | H14 | 173.7° | 0.1° |
| N4 | C1 | C7 | H1 | 120.4° | 120.0° |
| N4 | C1 | C7 | H2 | 120.4° | 120.0° |
| N4 | C1 | C7 | F2 | 62.5° | 180.0° |
| N4 | C1 | C7 | F1 | 59.3° | 60.0° |
| N4 | C1 | C7 | F3 | 176.1° | 60.0° |
| N4 | C1 | H1 | H2 | 118.7° | 120.0° |
| N2 | C6 | C2 | H3 | 78.0° | 60.1° |
| N2 | C6 | C2 | H4 | 41.0° | 60.0° |
| N2 | C6 | H6 | H7 | 120.3° | 120.0° |
| C1 | C7 | F2 | F1 | 122.8° | 120.0° |
| C1 | C7 | F2 | F3 | 120.3° | 120.0° |
| C1 | C7 | F1 | F3 | 118.4° | 120.0° |
| C7 | C1 | H1 | H2 | 118.7° | 120.0° |
| C7 | C1 | N4 | H14 | 83.4° | 0.0° |
| F2 | C7 | F1 | F3 | 119.8° | 120.0° |
| F2 | C7 | C1 | H1 | 57.9° | 60.0° |
| F2 | C7 | C1 | H2 | 177.1° | 60.0° |
| F1 | C7 | C1 | H1 | 179.8° | 180.0° |
| F1 | C7 | C1 | H2 | 61.1° | 60.1° |
| F3 | C7 | C1 | H1 | 63.5° | 60.0° |
| F3 | C7 | C1 | H2 | 55.7° | 180.0° |
| H1 | C1 | N4 | H14 | 37.0° | 120.0° |
| H2 | C1 | N4 | H14 | 156.2° | 120.0° |
| H3 | C2 | C6 | H6 | 162.1° | 59.9° |
| H3 | C2 | C6 | H7 | 41.9° | 180.0° |
| H3 | C2 | C8 | H8 | 66.2° | 180.0° |
| H3 | C2 | C8 | H9 | 175.5° | 60.0° |
| H4 | C2 | C6 | H6 | 78.9° | 180.0° |
| H4 | C2 | C6 | H7 | 160.9° | 60.0° |
| H4 | C2 | C8 | H8 | 52.8° | 60.0° |
| H4 | C2 | C8 | H9 | 65.5° | 180.0° |
| H5 | C4 | C8 | H8 | 173.9° | 65.0° |
| H5 | C4 | C8 | H9 | 55.6° | 175.1° |
| H5 | C4 | N1 | H10 | 59.8° | 56.0° |
| H5 | C4 | N1 | H11 | 60.2° | 180.0° |
| H5 | C4 | C5 | N5 | 38.0° | 40.0° |
| H6 | C6 | N2 | H12 | 21.2° | 119.9° |
| H7 | C6 | N2 | H12 | 141.4° | 120.0° |
| C9 | N5 | H15 | C5 | 180.0° | 180.0° |
| N5 | C9 | C18 | C10 | 122.4° | 120.0° |
| N5 | C9 | C18 | H16 | 118.1° | 120.0° |
| N5 | C9 | C10 | H16 | 123.9° | 120.0° |
| N5 | C9 | C10 | C11 | 179.1° | 65.0° |
| N5 | C9 | C10 | H17 | 60.8° | 55.0° |
| N5 | C9 | C10 | H18 | 59.0° | 175.0° |
| N5 | C9 | C18 | O3 | 64.3° | 0.0° |
| N5 | C9 | C18 | N6 | 113.5° | 180.0° |
| H15 | N5 | C9 | C18 | 48.3° | 25.0° |
| H15 | N5 | C9 | C10 | 70.3° | 95.0° |
| H15 | N5 | C9 | H16 | 166.2° | 145.0° |
| C18 | C9 | C10 | H16 | 119.7° | 120.0° |
| C18 | C9 | C10 | C11 | 62.7° | 175.0° |
| C18 | C9 | C10 | H17 | 177.2° | 65.0° |
| C18 | C9 | C10 | H18 | 57.4° | 55.0° |
| C9 | C18 | O3 | N6 | 177.5° | 180.0° |
| C9 | C18 | N6 | C19 | 177.2° | 180.0° |
| C9 | C18 | N6 | H26 | 2.8° | 0.0° |
| C18 | C9 | N5 | C5 | 131.7° | 155.0° |
| C9 | C10 | C11 | H17 | 120.1° | 120.0° |
| C9 | C10 | C11 | H18 | 120.1° | 120.0° |
| C9 | C10 | H17 | H18 | 119.7° | 120.0° |
| C9 | C10 | C11 | C12 | 69.5° | 90.0° |
| C9 | C10 | C11 | C17 | 111.2° | 90.2° |
| C10 | C9 | C18 | O3 | 58.1° | 120.0° |
| C10 | C9 | N5 | C5 | 109.7° | 85.0° |
| C10 | C9 | C18 | N6 | 124.2° | 60.0° |
| H16 | C9 | C10 | C11 | 57.0° | 55.0° |
| H16 | C9 | C10 | H17 | 63.1° | 175.0° |
| H16 | C9 | C10 | H18 | 177.1° | 65.0° |
| H16 | C9 | C18 | O3 | 177.6° | 120.0° |
| H16 | C9 | N5 | C5 | 13.9° | 34.9° |
| H16 | C9 | C18 | N6 | 4.7° | 59.9° |
| C11 | C10 | H17 | H18 | 119.6° | 119.9° |
| C10 | C11 | C12 | C17 | 179.4° | 179.7° |
| C10 | C11 | C12 | C13 | 178.9° | 179.9° |
| C10 | C11 | C12 | H19 | 1.1° | 0.0° |
| C10 | C11 | C17 | C16 | 179.5° | 179.7° |
| C10 | C11 | C17 | H20 | 0.4° | 0.1° |
| H17 | C10 | C11 | C12 | 50.6° | 30.0° |
| H17 | C10 | C11 | C17 | 128.7° | 149.7° |
| H18 | C10 | C11 | C12 | 170.4° | 150.0° |
| H18 | C10 | C11 | C17 | 8.9° | 29.8° |
| C11 | C12 | C13 | H19 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.0° | 0.1° |
| C11 | C12 | C13 | H21 | 179.0° | 179.9° |
| C12 | C11 | C17 | C16 | 0.2° | 0.6° |
| C12 | C11 | C17 | H20 | 179.8° | 179.6° |
| C17 | C11 | C12 | C13 | 0.5° | 0.3° |
| C17 | C11 | C12 | H19 | 179.5° | 179.8° |
| C11 | C17 | C16 | C14 | 0.3° | 0.5° |
| C11 | C17 | C16 | H22 | 179.6° | 179.7° |
| C11 | C17 | C16 | H20 | 180.0° | 179.8° |
| C12 | C13 | C14 | H21 | 180.0° | 180.0° |
| C12 | C13 | C14 | O2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 0.8° | 0.0° |
| H19 | C12 | C13 | C14 | 179.0° | 180.0° |
| H19 | C12 | C13 | H21 | 1.0° | 0.0° |
| C13 | C14 | O2 | C16 | 179.2° | 180.0° |
| C13 | C14 | O2 | C15 | 176.5° | 180.0° |
| C13 | C14 | C16 | H22 | 179.9° | 180.0° |
| C13 | C14 | C16 | C17 | 0.1° | 0.3° |
| H21 | C13 | C14 | O2 | 0.0° | 0.0° |
| H21 | C13 | C14 | C16 | 179.2° | 180.0° |
| C14 | O2 | C15 | H23 | 180.0° | 180.0° |
| C14 | O2 | C15 | H24 | 60.0° | 60.0° |
| C14 | O2 | C15 | H25 | 60.0° | 60.0° |
| O2 | C14 | C16 | H22 | 0.7° | 0.0° |
| O2 | C14 | C16 | C17 | 179.3° | 179.8° |
| O2 | C15 | H23 | H24 | 120.0° | 120.1° |
| O2 | C15 | H23 | H25 | 120.0° | 120.0° |
| O2 | C15 | H24 | H25 | 120.0° | 120.0° |
| C15 | O2 | C14 | C16 | 4.3° | 0.0° |
| H23 | C15 | H24 | H25 | 120.0° | 119.9° |
| C14 | C16 | H22 | C17 | 180.0° | 179.8° |
| C14 | C16 | C17 | H20 | 179.6° | 179.7° |
| H22 | C16 | C17 | H20 | 0.4° | 0.1° |
| O3 | C18 | N6 | C19 | 0.4° | 0.0° |
| O3 | C18 | N6 | H26 | 179.6° | 180.0° |
| C19 | N6 | H26 | C18 | 180.0° | 180.0° |
| N6 | C19 | C20 | C21 | 122.7° | 120.0° |
| N6 | C19 | C20 | H27 | 119.8° | 120.0° |
| N6 | C19 | C21 | H27 | 119.7° | 120.0° |
| N6 | C19 | C20 | O4 | 0.6° | 0.0° |
| N6 | C19 | C21 | C22 | 57.6° | 65.0° |
| N6 | C19 | C21 | H28 | 63.0° | 55.0° |
| N6 | C19 | C21 | H29 | 178.3° | 175.0° |
| N6 | C19 | C20 | N7 | 179.8° | 180.0° |
| H26 | N6 | C19 | C20 | 79.2° | 95.0° |
| H26 | N6 | C19 | C21 | 42.2° | 25.0° |
| H26 | N6 | C19 | H27 | 161.4° | 145.0° |
| C20 | C19 | C21 | H27 | 117.5° | 120.0° |
| C19 | C20 | O4 | N7 | 179.6° | 179.9° |
| C20 | C19 | C21 | C22 | 179.6° | 175.0° |
| C20 | C19 | C21 | H28 | 59.8° | 65.0° |
| C20 | C19 | C21 | H29 | 59.0° | 55.0° |
| C19 | C20 | N7 | H35 | 179.6° | 0.0° |
| C19 | C20 | N7 | H36 | 0.4° | 180.0° |
| C20 | C19 | N6 | C18 | 100.8° | 85.0° |
| C21 | C19 | C20 | O4 | 123.3° | 120.0° |
| C19 | C21 | C22 | H28 | 120.6° | 120.0° |
| C19 | C21 | C22 | H29 | 120.6° | 120.0° |
| C19 | C21 | H28 | H29 | 118.2° | 120.0° |
| C19 | C21 | C22 | C23 | 76.3° | 90.0° |
| C19 | C21 | C22 | C24 | 105.3° | 90.3° |
| C21 | C19 | N6 | C18 | 137.8° | 155.0° |
| C21 | C19 | C20 | N7 | 57.0° | 60.0° |
| H27 | C19 | C20 | O4 | 119.2° | 120.0° |
| H27 | C19 | C21 | C22 | 62.1° | 55.0° |
| H27 | C19 | C21 | H28 | 177.3° | 175.0° |
| H27 | C19 | C21 | H29 | 58.6° | 65.0° |
| H27 | C19 | N6 | C18 | 18.6° | 35.0° |
| H27 | C19 | C20 | N7 | 60.4° | 60.0° |
| O4 | C20 | N7 | H35 | 0.0° | 180.0° |
| O4 | C20 | N7 | H36 | 180.0° | 0.0° |
| C22 | C21 | H28 | H29 | 118.1° | 120.1° |
| C21 | C22 | C23 | C24 | 178.5° | 179.8° |
| C21 | C22 | C23 | C25 | 179.7° | 180.0° |
| C21 | C22 | C23 | H30 | 0.3° | 0.0° |
| C21 | C22 | C24 | C26 | 179.6° | 180.0° |
| C21 | C22 | C24 | H31 | 0.4° | 0.1° |
| H28 | C21 | C22 | C23 | 163.1° | 30.0° |
| H28 | C21 | C22 | C24 | 15.4° | 149.8° |
| H29 | C21 | C22 | C23 | 44.3° | 150.0° |
| H29 | C21 | C22 | C24 | 134.1° | 29.7° |
| C22 | C23 | C25 | H30 | 180.0° | 180.0° |
| C23 | C22 | C24 | C26 | 1.1° | 0.2° |
| C23 | C22 | C24 | H31 | 178.8° | 179.7° |
| C22 | C23 | C25 | C27 | 0.9° | 0.1° |
| C22 | C23 | C25 | H32 | 179.1° | 180.0° |
| C24 | C22 | C23 | C25 | 1.2° | 0.2° |
| C24 | C22 | C23 | H30 | 178.8° | 179.8° |
| C22 | C24 | C26 | H31 | 180.0° | 179.9° |
| C22 | C24 | C26 | C27 | 0.7° | 0.1° |
| C22 | C24 | C26 | H33 | 179.3° | 180.0° |
| C23 | C25 | C27 | H32 | 180.0° | 179.9° |
| C23 | C25 | C27 | C26 | 0.4° | 0.3° |
| C23 | C25 | C27 | H34 | 179.6° | 180.0° |
| H30 | C23 | C25 | C27 | 179.2° | 180.0° |
| H30 | C23 | C25 | H32 | 0.8° | 0.1° |
| C24 | C26 | C27 | C25 | 0.3° | 0.3° |
| C24 | C26 | C27 | H33 | 180.0° | 180.0° |
| C24 | C26 | C27 | H34 | 179.7° | 180.0° |
| H31 | C24 | C26 | C27 | 179.3° | 180.0° |
| H31 | C24 | C26 | H33 | 0.7° | 0.1° |
| C25 | C27 | C26 | H34 | 180.0° | 179.7° |
| C25 | C27 | C26 | H33 | 179.7° | 179.7° |
| H32 | C25 | C27 | C26 | 179.6° | 179.8° |
| H32 | C25 | C27 | H34 | 0.4° | 0.1° |
| H33 | C26 | C27 | H34 | 0.3° | 0.0° |
| H35 | N7 | H36 | C20 | 180.0° | 180.0° |
