PRD_002315
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.58Å | |
| C2 | C3 | sing | 1.51Å | 1.57Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.39Å | |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| N1 | C9 | sing | 1.47Å | 1.33Å | |
| N1 | C13 | sing | 1.47Å | 1.63Å | |
| C9 | C10 | sing | 1.51Å | 1.57Å | |
| C9 | C11 | sing | 1.54Å | 1.56Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.55Å | 1.58Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.55Å | 1.34Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C14 | sing | 1.47Å | 1.43Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.19Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | N3 | sing | 1.47Å | 1.52Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| N3 | H25 | sing | 1.01Å | 1.00Å | |
| N3 | H26 | sing | 1.01Å | 1.00Å | |
| N3 | H27 | sing | 1.01Å | 1.00Å | |
| N4 | C20 | sing | 1.46Å | 1.44Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.58Å | |
| C20 | C22 | sing | 1.53Å | 1.50Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.21Å | 1.22Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | N5 | sing | 1.47Å | 1.46Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | C25 | sing | 1.37Å | 1.35Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C25 | N6 | sing | 1.33Å | 1.26Å | |
| C25 | N7 | doub | 1.33Å | 1.27Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| N7 | H39 | sing | 0.97Å | 1.00Å | |
| N7 | H40 | sing | 0.97Å | 1.00Å | |
| N8 | H41 | sing | 0.97Å | 1.00Å | |
| N8 | H42 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.45Å | |
| C10 | N2 | sing | 1.35Å | 1.49Å | |
| C15 | N4 | sing | 1.35Å | 1.44Å | |
| C21 | N8 | sing | 1.35Å | 1.49Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.5° | 120.0° |
| O1 | C1 | N1 | 119.7° | 120.0° |
| C1 | C2 | C3 | 103.9° | 109.5° |
| C1 | C2 | H1 | 110.9° | 109.5° |
| C1 | C2 | H2 | 110.8° | 109.5° |
| C2 | C1 | N1 | 119.8° | 120.0° |
| C3 | C2 | H1 | 110.8° | 109.5° |
| C3 | C2 | H2 | 110.8° | 109.5° |
| C2 | C3 | C4 | 119.3° | 119.9° |
| C2 | C3 | C8 | 120.6° | 119.9° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| C4 | C3 | C8 | 120.0° | 120.1° |
| C3 | C4 | C5 | 120.0° | 120.1° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C3 | C8 | C7 | 120.0° | 120.1° |
| C3 | C8 | H6 | 120.0° | 120.0° |
| C5 | C4 | H3 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.0° |
| C4 | C5 | H4 | 120.1° | 120.0° |
| C6 | C5 | H4 | 120.1° | 120.0° |
| C5 | C6 | C7 | 120.3° | 119.9° |
| C5 | C6 | O2 | 119.5° | 120.1° |
| C7 | C6 | O2 | 120.2° | 120.1° |
| C6 | C7 | C8 | 119.8° | 119.9° |
| C6 | C7 | H5 | 120.1° | 120.0° |
| C6 | O2 | H7 | 109.5° | 114.0° |
| C8 | C7 | H5 | 120.1° | 120.0° |
| C7 | C8 | H6 | 120.0° | 120.0° |
| C9 | N1 | C13 | 109.0° | 108.7° |
| N1 | C9 | C10 | 107.3° | 109.9° |
| N1 | C9 | C11 | 106.8° | 107.3° |
| N1 | C9 | H8 | 114.1° | 109.9° |
| C9 | N1 | C1 | 123.6° | 125.7° |
| N1 | C13 | C12 | 107.4° | 104.8° |
| N1 | C13 | H13 | 110.0° | 110.4° |
| N1 | C13 | H14 | 110.0° | 110.4° |
| C13 | N1 | C1 | 127.4° | 125.6° |
| C10 | C9 | C11 | 107.8° | 109.9° |
| C10 | C9 | H8 | 110.2° | 109.8° |
| C9 | C10 | O3 | 121.0° | 120.0° |
| C9 | C10 | N2 | 121.4° | 120.0° |
| C11 | C9 | H8 | 110.3° | 110.0° |
| C9 | C11 | C12 | 104.1° | 102.9° |
| C9 | C11 | H9 | 110.8° | 110.7° |
| C9 | C11 | H10 | 110.8° | 110.7° |
| O3 | C10 | N2 | 117.6° | 120.0° |
| C12 | C11 | H9 | 110.8° | 110.7° |
| C12 | C11 | H10 | 110.8° | 110.7° |
| C11 | C12 | C13 | 104.5° | 101.5° |
| C11 | C12 | H11 | 110.7° | 111.0° |
| C11 | C12 | H12 | 110.7° | 111.0° |
| H9 | C11 | H10 | 109.5° | 110.9° |
| C13 | C12 | H11 | 110.7° | 111.2° |
| C13 | C12 | H12 | 110.7° | 110.9° |
| C12 | C13 | H13 | 110.0° | 110.5° |
| C12 | C13 | H14 | 110.0° | 110.3° |
| H11 | C12 | H12 | 109.5° | 110.9° |
| H13 | C13 | H14 | 109.5° | 110.4° |
| C14 | N2 | H15 | 122.3° | 120.0° |
| N2 | C14 | C15 | 110.4° | 109.5° |
| N2 | C14 | C16 | 111.6° | 109.4° |
| N2 | C14 | H16 | 109.4° | 109.4° |
| C14 | N2 | C10 | 115.3° | 120.0° |
| H15 | N2 | C10 | 122.4° | 120.0° |
| C15 | C14 | C16 | 109.5° | 109.5° |
| C15 | C14 | H16 | 107.8° | 109.5° |
| C14 | C15 | O4 | 120.1° | 120.0° |
| C14 | C15 | N4 | 116.6° | 120.0° |
| C16 | C14 | H16 | 108.1° | 109.5° |
| C14 | C16 | C17 | 114.8° | 109.5° |
| C14 | C16 | H17 | 108.1° | 109.4° |
| C14 | C16 | H18 | 108.1° | 109.4° |
| O4 | C15 | N4 | 123.3° | 120.0° |
| C17 | C16 | H17 | 108.1° | 109.5° |
| C17 | C16 | H18 | 108.1° | 109.5° |
| C16 | C17 | C18 | 107.1° | 109.4° |
| C16 | C17 | H19 | 110.1° | 109.5° |
| C16 | C17 | H20 | 110.1° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| C18 | C17 | H19 | 110.0° | 109.5° |
| C18 | C17 | H20 | 110.1° | 109.5° |
| C17 | C18 | C19 | 114.1° | 109.4° |
| C17 | C18 | H21 | 108.3° | 109.4° |
| C17 | C18 | H22 | 108.3° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| C19 | C18 | H21 | 108.3° | 109.5° |
| C19 | C18 | H22 | 108.3° | 109.5° |
| C18 | C19 | N3 | 108.5° | 109.5° |
| C18 | C19 | H23 | 109.7° | 109.5° |
| C18 | C19 | H24 | 109.7° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| N3 | C19 | H23 | 109.7° | 109.4° |
| N3 | C19 | H24 | 109.7° | 109.5° |
| C19 | N3 | H25 | 109.5° | 109.5° |
| C19 | N3 | H26 | 109.5° | 109.4° |
| C19 | N3 | H27 | 109.4° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | N3 | H26 | 109.5° | 109.4° |
| H25 | N3 | H27 | 109.5° | 109.5° |
| H26 | N3 | H27 | 109.5° | 109.5° |
| C20 | N4 | H28 | 119.0° | 120.0° |
| N4 | C20 | C21 | 105.0° | 109.5° |
| N4 | C20 | C22 | 109.3° | 109.4° |
| N4 | C20 | H29 | 111.9° | 109.5° |
| C20 | N4 | C15 | 122.1° | 120.0° |
| H28 | N4 | C15 | 118.9° | 120.0° |
| C21 | C20 | C22 | 109.5° | 109.5° |
| C21 | C20 | H29 | 109.9° | 109.5° |
| C20 | C21 | O5 | 120.6° | 120.0° |
| C20 | C21 | N8 | 118.4° | 120.0° |
| C22 | C20 | H29 | 111.1° | 109.5° |
| C20 | C22 | C23 | 112.8° | 109.5° |
| C20 | C22 | H30 | 108.6° | 109.5° |
| C20 | C22 | H31 | 108.6° | 109.5° |
| O5 | C21 | N8 | 121.0° | 120.0° |
| C23 | C22 | H30 | 108.6° | 109.5° |
| C23 | C22 | H31 | 108.6° | 109.5° |
| C22 | C23 | C24 | 111.4° | 109.5° |
| C22 | C23 | H32 | 109.0° | 109.5° |
| C22 | C23 | H33 | 109.0° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.4° |
| C24 | C23 | H32 | 109.0° | 109.5° |
| C24 | C23 | H33 | 109.0° | 109.5° |
| C23 | C24 | N5 | 110.9° | 109.5° |
| C23 | C24 | H34 | 109.1° | 109.5° |
| C23 | C24 | H35 | 109.1° | 109.4° |
| H32 | C23 | H33 | 109.5° | 109.4° |
| N5 | C24 | H34 | 109.1° | 109.5° |
| N5 | C24 | H35 | 109.1° | 109.4° |
| C24 | N5 | C25 | 123.4° | 120.0° |
| C24 | N5 | H36 | 118.3° | 120.1° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| C25 | N5 | H36 | 118.3° | 119.9° |
| N5 | C25 | N6 | 119.8° | 120.0° |
| N5 | C25 | N7 | 121.7° | 120.0° |
| N6 | C25 | N7 | 118.6° | 120.0° |
| C25 | N6 | H37 | 120.0° | 120.0° |
| C25 | N6 | H38 | 120.0° | 120.0° |
| C25 | N7 | H39 | 120.0° | 119.9° |
| C25 | N7 | H40 | 120.0° | 120.0° |
| H37 | N6 | H38 | 120.0° | 120.0° |
| H39 | N7 | H40 | 120.0° | 120.1° |
| H41 | N8 | H42 | 119.9° | 120.0° |
| H41 | N8 | C21 | 120.0° | 120.0° |
| H42 | N8 | C21 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 177.4° | 179.7° |
| O1 | C1 | C2 | C3 | 56.4° | 0.0° |
| O1 | C1 | C2 | H1 | 175.5° | 120.1° |
| O1 | C1 | C2 | H2 | 62.7° | 120.0° |
| O1 | C1 | N1 | C9 | 1.1° | 0.0° |
| O1 | C1 | N1 | C13 | 179.5° | 179.7° |
| C1 | C2 | C3 | H1 | 119.1° | 120.0° |
| C1 | C2 | C3 | H2 | 119.1° | 120.0° |
| C1 | C2 | H1 | H2 | 122.6° | 119.9° |
| C1 | C2 | C3 | C4 | 86.4° | 90.0° |
| C1 | C2 | C3 | C8 | 91.8° | 90.3° |
| C2 | C1 | N1 | C9 | 178.5° | 179.7° |
| C2 | C1 | N1 | C13 | 2.1° | 0.6° |
| C3 | C2 | H1 | H2 | 122.6° | 120.0° |
| C2 | C3 | C4 | C8 | 178.3° | 179.7° |
| C2 | C3 | C4 | C5 | 179.1° | 180.0° |
| C2 | C3 | C4 | H3 | 0.9° | 0.0° |
| C2 | C3 | C8 | C7 | 178.7° | 179.7° |
| C2 | C3 | C8 | H6 | 1.2° | 0.0° |
| C3 | C2 | C1 | N1 | 121.0° | 179.7° |
| H1 | C2 | C3 | C4 | 154.4° | 30.0° |
| H1 | C2 | C3 | C8 | 27.3° | 149.7° |
| H1 | C2 | C1 | N1 | 1.9° | 59.7° |
| H2 | C2 | C3 | C4 | 32.6° | 150.0° |
| H2 | C2 | C3 | C8 | 149.1° | 29.7° |
| H2 | C2 | C1 | N1 | 119.9° | 60.2° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | H4 | 179.4° | 180.0° |
| C4 | C3 | C8 | C7 | 0.5° | 0.6° |
| C4 | C3 | C8 | H6 | 179.5° | 179.7° |
| C8 | C3 | C4 | C5 | 0.9° | 0.3° |
| C8 | C3 | C4 | H3 | 179.1° | 179.7° |
| C3 | C8 | C7 | C6 | 0.2° | 0.6° |
| C3 | C8 | C7 | H6 | 180.0° | 179.7° |
| C3 | C8 | C7 | H5 | 179.8° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | O2 | 179.3° | 180.0° |
| H3 | C4 | C5 | C6 | 179.4° | 180.0° |
| H3 | C4 | C5 | H4 | 0.6° | 0.0° |
| C5 | C6 | C7 | O2 | 179.1° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.3° |
| C5 | C6 | C7 | H5 | 179.5° | 179.9° |
| C5 | C6 | O2 | H7 | 180.0° | 90.0° |
| H4 | C5 | C6 | C7 | 179.9° | 180.0° |
| H4 | C5 | C6 | O2 | 0.7° | 0.0° |
| C6 | C7 | C8 | H5 | 180.0° | 179.8° |
| C6 | C7 | C8 | H6 | 179.8° | 179.7° |
| C7 | C6 | O2 | H7 | 0.9° | 90.1° |
| O2 | C6 | C7 | C8 | 179.7° | 179.8° |
| O2 | C6 | C7 | H5 | 0.4° | 0.0° |
| H5 | C7 | C8 | H6 | 0.2° | 0.0° |
| C9 | N1 | C13 | C1 | 179.5° | 179.7° |
| N1 | C9 | C10 | C11 | 114.8° | 117.8° |
| N1 | C9 | C10 | H8 | 124.8° | 121.0° |
| N1 | C9 | C11 | H8 | 124.5° | 119.5° |
| N1 | C9 | C10 | O3 | 49.2° | 0.0° |
| N1 | C9 | C11 | C12 | 21.2° | 22.2° |
| N1 | C9 | C11 | H9 | 98.0° | 140.5° |
| N1 | C9 | C11 | H10 | 140.3° | 96.1° |
| C9 | N1 | C13 | C12 | 12.5° | 24.5° |
| C9 | N1 | C13 | H13 | 132.2° | 94.5° |
| C9 | N1 | C13 | H14 | 107.2° | 143.2° |
| N1 | C9 | C10 | N2 | 131.2° | 180.0° |
| C13 | N1 | C9 | C10 | 122.3° | 120.7° |
| C13 | N1 | C9 | C11 | 6.9° | 1.3° |
| C13 | N1 | C9 | H8 | 115.3° | 118.3° |
| N1 | C13 | C12 | C11 | 24.8° | 37.3° |
| N1 | C13 | C12 | H13 | 119.7° | 118.9° |
| N1 | C13 | C12 | H14 | 119.7° | 118.8° |
| N1 | C13 | C12 | H11 | 144.0° | 80.8° |
| N1 | C13 | C12 | H12 | 94.4° | 155.3° |
| N1 | C13 | H13 | H14 | 120.9° | 122.3° |
| C10 | C9 | C11 | H8 | 120.4° | 121.0° |
| C9 | C10 | O3 | N2 | 179.5° | 180.0° |
| C10 | C9 | C11 | C12 | 136.3° | 97.3° |
| C10 | C9 | C11 | H9 | 17.1° | 21.1° |
| C10 | C9 | C11 | H10 | 104.6° | 144.4° |
| C9 | C10 | N2 | C14 | 177.3° | 180.0° |
| C9 | C10 | N2 | H15 | 2.7° | 0.0° |
| C10 | C9 | N1 | C1 | 58.2° | 59.6° |
| C11 | C9 | C10 | O3 | 65.5° | 117.9° |
| C9 | C11 | C12 | H9 | 119.1° | 118.3° |
| C9 | C11 | C12 | H10 | 119.1° | 118.3° |
| C9 | C11 | H9 | H10 | 122.5° | 123.3° |
| C9 | C11 | C12 | C13 | 28.9° | 35.7° |
| C9 | C11 | C12 | H11 | 148.2° | 82.6° |
| C9 | C11 | C12 | H12 | 90.3° | 153.6° |
| C11 | C9 | N1 | C1 | 173.6° | 179.0° |
| C11 | C9 | C10 | N2 | 114.0° | 62.2° |
| H8 | C9 | C10 | O3 | 174.0° | 121.0° |
| H8 | C9 | C11 | C12 | 103.4° | 141.7° |
| H8 | C9 | C11 | H9 | 137.5° | 100.0° |
| H8 | C9 | C11 | H10 | 15.8° | 23.4° |
| H8 | C9 | N1 | C1 | 64.2° | 61.4° |
| H8 | C9 | C10 | N2 | 6.5° | 59.0° |
| O3 | C10 | N2 | C14 | 2.2° | 0.0° |
| O3 | C10 | N2 | H15 | 177.8° | 180.0° |
| C12 | C11 | H9 | H10 | 122.5° | 123.3° |
| C11 | C12 | C13 | H11 | 119.2° | 118.1° |
| C11 | C12 | C13 | H12 | 119.2° | 118.0° |
| C11 | C12 | H11 | H12 | 122.3° | 123.9° |
| C11 | C12 | C13 | H13 | 144.5° | 81.6° |
| C11 | C12 | C13 | H14 | 94.9° | 156.1° |
| H9 | C11 | C12 | C13 | 90.2° | 154.0° |
| H9 | C11 | C12 | H11 | 29.1° | 35.8° |
| H9 | C11 | C12 | H12 | 150.6° | 88.1° |
| H10 | C11 | C12 | C13 | 148.1° | 82.6° |
| H10 | C11 | C12 | H11 | 92.7° | 159.1° |
| H10 | C11 | C12 | H12 | 28.9° | 35.3° |
| C13 | C12 | H11 | H12 | 122.3° | 123.9° |
| C12 | C13 | H13 | H14 | 121.0° | 122.3° |
| C12 | C13 | N1 | C1 | 167.0° | 155.8° |
| H11 | C12 | C13 | H13 | 96.3° | 160.3° |
| H11 | C12 | C13 | H14 | 24.3° | 38.0° |
| H12 | C12 | C13 | H13 | 25.3° | 36.4° |
| H12 | C12 | C13 | H14 | 145.9° | 85.9° |
| H13 | C13 | N1 | C1 | 47.3° | 85.2° |
| H14 | C13 | N1 | C1 | 73.3° | 37.1° |
| C14 | N2 | H15 | C10 | 180.0° | 180.0° |
| N2 | C14 | C15 | C16 | 123.2° | 120.0° |
| N2 | C14 | C15 | H16 | 119.4° | 119.9° |
| N2 | C14 | C16 | H16 | 120.3° | 119.9° |
| N2 | C14 | C15 | O4 | 17.9° | 0.0° |
| N2 | C14 | C16 | C17 | 62.3° | 65.0° |
| N2 | C14 | C16 | H17 | 176.9° | 55.1° |
| N2 | C14 | C16 | H18 | 58.5° | 175.0° |
| N2 | C14 | C15 | N4 | 161.0° | 180.0° |
| H15 | N2 | C14 | C15 | 14.9° | 25.0° |
| H15 | N2 | C14 | C16 | 107.1° | 95.1° |
| H15 | N2 | C14 | H16 | 133.4° | 145.0° |
| C15 | C14 | C16 | H16 | 117.2° | 120.1° |
| C14 | C15 | O4 | N4 | 178.8° | 180.0° |
| C15 | C14 | C16 | C17 | 60.3° | 175.0° |
| C15 | C14 | C16 | H17 | 60.5° | 64.9° |
| C15 | C14 | C16 | H18 | 178.9° | 55.0° |
| C14 | C15 | N4 | C20 | 177.8° | 180.0° |
| C14 | C15 | N4 | H28 | 2.2° | 0.0° |
| C15 | C14 | N2 | C10 | 165.1° | 155.0° |
| C16 | C14 | C15 | O4 | 105.3° | 120.0° |
| C14 | C16 | C17 | H17 | 120.8° | 120.0° |
| C14 | C16 | C17 | H18 | 120.8° | 120.0° |
| C14 | C16 | H17 | H18 | 117.6° | 119.9° |
| C14 | C16 | C17 | C18 | 170.9° | 180.0° |
| C14 | C16 | C17 | H19 | 51.3° | 60.0° |
| C14 | C16 | C17 | H20 | 69.4° | 60.0° |
| C16 | C14 | N2 | C10 | 72.9° | 85.0° |
| C16 | C14 | C15 | N4 | 75.8° | 60.0° |
| H16 | C14 | C15 | O4 | 137.3° | 119.9° |
| H16 | C14 | C16 | C17 | 177.5° | 54.9° |
| H16 | C14 | C16 | H17 | 56.7° | 175.0° |
| H16 | C14 | C16 | H18 | 61.7° | 65.1° |
| H16 | C14 | N2 | C10 | 46.6° | 35.0° |
| H16 | C14 | C15 | N4 | 41.5° | 60.0° |
| O4 | C15 | N4 | C20 | 3.3° | 0.0° |
| O4 | C15 | N4 | H28 | 176.7° | 180.0° |
| C17 | C16 | H17 | H18 | 117.6° | 120.1° |
| C16 | C17 | C18 | H19 | 119.6° | 120.0° |
| C16 | C17 | C18 | H20 | 119.6° | 120.0° |
| C16 | C17 | H19 | H20 | 121.1° | 120.0° |
| C16 | C17 | C18 | C19 | 174.3° | NaN° |
| C16 | C17 | C18 | H21 | 53.7° | 60.0° |
| C16 | C17 | C18 | H22 | 65.0° | 60.0° |
| H17 | C16 | C17 | C18 | 68.3° | 60.0° |
| H17 | C16 | C17 | H19 | 172.1° | 180.0° |
| H17 | C16 | C17 | H20 | 51.4° | 60.0° |
| H18 | C16 | C17 | C18 | 50.1° | 60.0° |
| H18 | C16 | C17 | H19 | 69.5° | 60.0° |
| H18 | C16 | C17 | H20 | 169.8° | 180.0° |
| C18 | C17 | H19 | H20 | 121.1° | 120.0° |
| C17 | C18 | C19 | H21 | 120.7° | 119.9° |
| C17 | C18 | C19 | H22 | 120.7° | 120.0° |
| C17 | C18 | H21 | H22 | 117.9° | 120.0° |
| C17 | C18 | C19 | N3 | 177.4° | 180.0° |
| C17 | C18 | C19 | H23 | 62.8° | 60.1° |
| C17 | C18 | C19 | H24 | 57.5° | 60.0° |
| H19 | C17 | C18 | C19 | 66.0° | 60.0° |
| H19 | C17 | C18 | H21 | 173.3° | 180.0° |
| H19 | C17 | C18 | H22 | 54.6° | 60.0° |
| H20 | C17 | C18 | C19 | 54.7° | 60.0° |
| H20 | C17 | C18 | H21 | 66.0° | 60.0° |
| H20 | C17 | C18 | H22 | 175.4° | 180.0° |
| C19 | C18 | H21 | H22 | 117.9° | 120.0° |
| C18 | C19 | N3 | H23 | 119.8° | 120.0° |
| C18 | C19 | N3 | H24 | 119.8° | 120.0° |
| C18 | C19 | H23 | H24 | 120.4° | 120.0° |
| C18 | C19 | N3 | H25 | 180.0° | 59.9° |
| C18 | C19 | N3 | H26 | 60.0° | 59.9° |
| C18 | C19 | N3 | H27 | 60.0° | 180.0° |
| H21 | C18 | C19 | N3 | 56.7° | 60.0° |
| H21 | C18 | C19 | H23 | 176.5° | 180.0° |
| H21 | C18 | C19 | H24 | 63.2° | 59.9° |
| H22 | C18 | C19 | N3 | 61.9° | 60.0° |
| H22 | C18 | C19 | H23 | 57.9° | 59.9° |
| H22 | C18 | C19 | H24 | 178.2° | 180.0° |
| N3 | C19 | H23 | H24 | 120.5° | 120.0° |
| C19 | N3 | H25 | H26 | 120.0° | 119.9° |
| C19 | N3 | H25 | H27 | 120.0° | 120.1° |
| C19 | N3 | H26 | H27 | 120.0° | 120.0° |
| H23 | C19 | N3 | H25 | 60.2° | 179.9° |
| H23 | C19 | N3 | H26 | 179.8° | 60.0° |
| H23 | C19 | N3 | H27 | 59.8° | 60.0° |
| H24 | C19 | N3 | H25 | 60.2° | 60.1° |
| H24 | C19 | N3 | H26 | 59.8° | 180.0° |
| H24 | C19 | N3 | H27 | 179.9° | 60.0° |
| H25 | N3 | H26 | H27 | 120.0° | 120.0° |
| C20 | N4 | H28 | C15 | 180.0° | 180.0° |
| N4 | C20 | C21 | C22 | 117.3° | 120.0° |
| N4 | C20 | C21 | H29 | 120.5° | 120.0° |
| N4 | C20 | C22 | H29 | 123.9° | 120.0° |
| N4 | C20 | C21 | O5 | 128.1° | 0.0° |
| N4 | C20 | C22 | C23 | 54.9° | 65.0° |
| N4 | C20 | C22 | H30 | 65.6° | 55.0° |
| N4 | C20 | C22 | H31 | 175.4° | 175.0° |
| N4 | C20 | C21 | N8 | 51.6° | 180.0° |
| H28 | N4 | C20 | C21 | 106.5° | 95.0° |
| H28 | N4 | C20 | C22 | 10.9° | 25.0° |
| H28 | N4 | C20 | H29 | 134.4° | 145.0° |
| C21 | C20 | C22 | H29 | 121.6° | 120.0° |
| C20 | C21 | O5 | N8 | 179.7° | 180.0° |
| C21 | C20 | C22 | C23 | 169.4° | 175.0° |
| C21 | C20 | C22 | H30 | 48.9° | 65.0° |
| C21 | C20 | C22 | H31 | 70.1° | 55.0° |
| C20 | C21 | N8 | H41 | 179.7° | 0.0° |
| C20 | C21 | N8 | H42 | 0.3° | 180.0° |
| C21 | C20 | N4 | C15 | 73.6° | 85.0° |
| C22 | C20 | C21 | O5 | 114.6° | 120.0° |
| C20 | C22 | C23 | H30 | 120.5° | 120.1° |
| C20 | C22 | C23 | H31 | 120.5° | 120.0° |
| C20 | C22 | H30 | H31 | 118.5° | 120.0° |
| C20 | C22 | C23 | C24 | 174.8° | 180.0° |
| C20 | C22 | C23 | H32 | 64.9° | 59.9° |
| C20 | C22 | C23 | H33 | 54.5° | 60.0° |
| C22 | C20 | N4 | C15 | 169.0° | 155.0° |
| C22 | C20 | C21 | N8 | 65.7° | 60.0° |
| H29 | C20 | C21 | O5 | 7.6° | 120.0° |
| H29 | C20 | C22 | C23 | 69.0° | 55.0° |
| H29 | C20 | C22 | H30 | 170.5° | 175.0° |
| H29 | C20 | C22 | H31 | 51.5° | 65.0° |
| H29 | C20 | N4 | C15 | 45.6° | 35.0° |
| H29 | C20 | C21 | N8 | 172.0° | 60.0° |
| O5 | C21 | N8 | H41 | 0.0° | 180.0° |
| O5 | C21 | N8 | H42 | 180.0° | 0.0° |
| C23 | C22 | H30 | H31 | 118.5° | 120.0° |
| C22 | C23 | C24 | H32 | 120.3° | 120.0° |
| C22 | C23 | C24 | H33 | 120.3° | 120.0° |
| C22 | C23 | H32 | H33 | 119.1° | 120.0° |
| C22 | C23 | C24 | N5 | 119.2° | 180.0° |
| C22 | C23 | C24 | H34 | 120.6° | 60.0° |
| C22 | C23 | C24 | H35 | 1.0° | 60.1° |
| H30 | C22 | C23 | C24 | 54.3° | 59.9° |
| H30 | C22 | C23 | H32 | 174.6° | 180.0° |
| H30 | C22 | C23 | H33 | 66.0° | 60.1° |
| H31 | C22 | C23 | C24 | 64.7° | 60.0° |
| H31 | C22 | C23 | H32 | 55.6° | 60.1° |
| H31 | C22 | C23 | H33 | 175.0° | 180.0° |
| C24 | C23 | H32 | H33 | 119.1° | 120.0° |
| C23 | C24 | N5 | H34 | 120.2° | 120.0° |
| C23 | C24 | N5 | H35 | 120.2° | 119.9° |
| C23 | C24 | H34 | H35 | 119.3° | 120.0° |
| C23 | C24 | N5 | C25 | 88.4° | 180.0° |
| C23 | C24 | N5 | H36 | 91.6° | 0.0° |
| H32 | C23 | C24 | N5 | 1.1° | 59.9° |
| H32 | C23 | C24 | H34 | 119.1° | 180.0° |
| H32 | C23 | C24 | H35 | 121.3° | 60.0° |
| H33 | C23 | C24 | N5 | 120.5° | 60.0° |
| H33 | C23 | C24 | H34 | 0.3° | 60.0° |
| H33 | C23 | C24 | H35 | 119.3° | 179.9° |
| N5 | C24 | H34 | H35 | 119.4° | 120.0° |
| C24 | N5 | C25 | H36 | 180.0° | 180.0° |
| C24 | N5 | C25 | N6 | 179.9° | 0.0° |
| C24 | N5 | C25 | N7 | 0.4° | 180.0° |
| H34 | C24 | N5 | C25 | 151.4° | 60.0° |
| H34 | C24 | N5 | H36 | 28.6° | 120.0° |
| H35 | C24 | N5 | C25 | 31.8° | 60.1° |
| H35 | C24 | N5 | H36 | 148.2° | 119.9° |
| N5 | C25 | N6 | N7 | 179.5° | 180.0° |
| N5 | C25 | N6 | H37 | 179.5° | 0.0° |
| N5 | C25 | N6 | H38 | 0.5° | 180.0° |
| N5 | C25 | N7 | H39 | 179.5° | 180.0° |
| N5 | C25 | N7 | H40 | 0.5° | 0.1° |
| H36 | N5 | C25 | N6 | 0.1° | 180.0° |
| H36 | N5 | C25 | N7 | 179.6° | 0.0° |
| C25 | N6 | H37 | H38 | 180.0° | 180.0° |
| N6 | C25 | N7 | H39 | 0.0° | 0.1° |
| N6 | C25 | N7 | H40 | 180.0° | 180.0° |
| N7 | C25 | N6 | H37 | 0.0° | 180.0° |
| N7 | C25 | N6 | H38 | 180.0° | 0.0° |
| C25 | N7 | H39 | H40 | 179.9° | 179.9° |
| H41 | N8 | H42 | C21 | 180.0° | 180.0° |
