PRD_000815
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 | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | O3 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.46Å | 1.46Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O5 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C20 | sing | 1.53Å | 1.55Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| N4 | C21 | sing | 1.46Å | 1.48Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C26 | sing | 1.51Å | 1.54Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | N5 | sing | 1.34Å | 1.33Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.33Å | Aromatic |
| N5 | C25 | doub | 1.30Å | 1.33Å | Aromatic |
| N5 | H39 | sing | 0.97Å | 1.00Å | |
| C24 | N6 | sing | 1.37Å | 1.33Å | Aromatic |
| C24 | H40 | sing | 1.08Å | 1.08Å | |
| C25 | N6 | sing | 1.35Å | 1.33Å | Aromatic |
| C25 | H41 | sing | 1.08Å | 1.08Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| C26 | O6 | doub | 1.21Å | 1.23Å | |
| C26 | H43 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å | |
| C8 | N3 | sing | 1.35Å | 1.34Å | |
| C13 | N4 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.1° | 120.0° |
| O1 | C1 | N1 | 124.9° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 115.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.8° | 119.9° |
| N1 | C3 | C4 | 106.1° | 109.5° |
| N1 | C3 | C5 | 112.1° | 109.5° |
| N1 | C3 | H5 | 109.6° | 109.4° |
| C3 | N1 | C1 | 122.4° | 120.0° |
| H4 | N1 | C1 | 118.8° | 120.0° |
| C4 | C3 | C5 | 111.0° | 109.4° |
| C4 | C3 | H5 | 109.0° | 109.5° |
| C3 | C4 | O2 | 120.8° | 120.0° |
| C3 | C4 | N2 | 114.6° | 120.0° |
| C5 | C3 | H5 | 109.1° | 109.4° |
| C3 | C5 | O3 | 108.4° | 109.4° |
| C3 | C5 | C6 | 111.9° | 109.5° |
| C3 | C5 | H6 | 108.3° | 109.5° |
| O2 | C4 | N2 | 124.6° | 120.0° |
| O3 | C5 | C6 | 110.3° | 109.5° |
| O3 | C5 | H6 | 109.6° | 109.5° |
| C5 | O3 | H7 | 109.5° | 114.0° |
| C6 | C5 | H6 | 108.2° | 109.4° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.4° | 109.5° |
| H8 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| C7 | N2 | H11 | 119.0° | 120.0° |
| N2 | C7 | C8 | 109.7° | 109.5° |
| N2 | C7 | C9 | 109.8° | 109.5° |
| N2 | C7 | H12 | 109.5° | 109.5° |
| C7 | N2 | C4 | 122.0° | 120.1° |
| H11 | N2 | C4 | 119.0° | 119.9° |
| C8 | C7 | C9 | 110.9° | 109.5° |
| C8 | C7 | H12 | 108.6° | 109.5° |
| C7 | C8 | O4 | 120.6° | 120.0° |
| C7 | C8 | N3 | 113.8° | 120.0° |
| C9 | C7 | H12 | 108.3° | 109.4° |
| C7 | C9 | C10 | 111.2° | 109.5° |
| C7 | C9 | C11 | 112.7° | 109.5° |
| C7 | C9 | H13 | 107.6° | 109.4° |
| O4 | C8 | N3 | 125.6° | 120.0° |
| C10 | C9 | C11 | 109.5° | 109.5° |
| C10 | C9 | H13 | 107.9° | 109.5° |
| C9 | C10 | H14 | 109.5° | 109.5° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C11 | C9 | H13 | 107.8° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C9 | C11 | H18 | 109.5° | 109.5° |
| C9 | C11 | H19 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H16 | 109.4° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| C12 | N3 | H20 | 118.2° | 120.0° |
| N3 | C12 | C13 | 104.1° | 109.5° |
| N3 | C12 | C14 | 112.7° | 109.4° |
| N3 | C12 | H21 | 111.1° | 109.5° |
| C12 | N3 | C8 | 123.6° | 120.0° |
| H20 | N3 | C8 | 118.2° | 120.0° |
| C13 | C12 | C14 | 108.6° | 109.5° |
| C13 | C12 | H21 | 110.4° | 109.4° |
| C12 | C13 | O5 | 119.6° | 120.0° |
| C12 | C13 | N4 | 116.4° | 120.0° |
| C14 | C12 | H21 | 109.9° | 109.5° |
| C12 | C14 | C15 | 114.5° | 109.5° |
| C12 | C14 | H22 | 108.2° | 109.5° |
| C12 | C14 | H23 | 108.2° | 109.5° |
| O5 | C13 | N4 | 124.0° | 119.9° |
| C15 | C14 | H22 | 108.2° | 109.5° |
| C15 | C14 | H23 | 108.2° | 109.5° |
| C14 | C15 | C16 | 108.2° | 109.5° |
| C14 | C15 | C20 | 112.4° | 109.5° |
| C14 | C15 | H24 | 108.6° | 109.4° |
| H22 | C14 | H23 | 109.5° | 109.4° |
| C16 | C15 | C20 | 110.5° | 109.5° |
| C16 | C15 | H24 | 108.6° | 109.5° |
| C15 | C16 | C17 | 114.3° | 109.5° |
| C15 | C16 | H25 | 108.3° | 109.5° |
| C15 | C16 | H26 | 108.3° | 109.5° |
| C20 | C15 | H24 | 108.5° | 109.5° |
| C15 | C20 | C19 | 111.5° | 109.4° |
| C15 | C20 | H33 | 109.0° | 109.5° |
| C15 | C20 | H34 | 109.0° | 109.4° |
| C17 | C16 | H25 | 108.2° | 109.4° |
| C17 | C16 | H26 | 108.3° | 109.5° |
| C16 | C17 | C18 | 112.9° | 109.5° |
| C16 | C17 | H27 | 108.6° | 109.5° |
| C16 | C17 | H28 | 108.6° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| C18 | C17 | H27 | 108.6° | 109.5° |
| C18 | C17 | H28 | 108.6° | 109.5° |
| C17 | C18 | C19 | 113.7° | 109.5° |
| C17 | C18 | H29 | 108.4° | 109.5° |
| C17 | C18 | H30 | 108.4° | 109.5° |
| H27 | C17 | H28 | 109.4° | 109.4° |
| C19 | C18 | H29 | 108.4° | 109.5° |
| C19 | C18 | H30 | 108.4° | 109.5° |
| C18 | C19 | C20 | 112.0° | 109.5° |
| C18 | C19 | H31 | 108.9° | 109.5° |
| C18 | C19 | H32 | 108.8° | 109.5° |
| H29 | C18 | H30 | 109.4° | 109.5° |
| C20 | C19 | H31 | 108.8° | 109.5° |
| C20 | C19 | H32 | 108.9° | 109.5° |
| C19 | C20 | H33 | 109.0° | 109.5° |
| C19 | C20 | H34 | 109.0° | 109.5° |
| H31 | C19 | H32 | 109.4° | 109.4° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| C21 | N4 | H35 | 120.6° | 120.0° |
| N4 | C21 | C22 | 110.1° | 109.5° |
| N4 | C21 | C26 | 108.3° | 109.5° |
| N4 | C21 | H36 | 108.6° | 109.5° |
| C21 | N4 | C13 | 118.8° | 120.0° |
| H35 | N4 | C13 | 120.6° | 120.0° |
| C22 | C21 | C26 | 114.1° | 109.5° |
| C22 | C21 | H36 | 107.8° | 109.4° |
| C21 | C22 | C23 | 110.2° | 109.5° |
| C21 | C22 | H37 | 109.3° | 109.5° |
| C21 | C22 | H38 | 109.3° | 109.5° |
| C26 | C21 | H36 | 107.8° | 109.5° |
| C21 | C26 | O6 | 123.5° | 120.0° |
| C21 | C26 | H43 | 118.2° | 120.0° |
| C23 | C22 | H37 | 109.3° | 109.5° |
| C23 | C22 | H38 | 109.3° | 109.4° |
| C22 | C23 | N5 | 126.0° | 126.0° |
| C22 | C23 | C24 | 126.5° | 126.0° |
| H37 | C22 | H38 | 109.5° | 109.4° |
| N5 | C23 | C24 | 107.5° | 108.0° |
| C23 | N5 | C25 | 108.2° | 109.2° |
| C23 | N5 | H39 | 125.9° | 125.4° |
| C23 | C24 | N6 | 108.8° | 106.8° |
| C23 | C24 | H40 | 125.6° | 126.6° |
| C25 | N5 | H39 | 125.9° | 125.4° |
| N5 | C25 | N6 | 108.1° | 108.8° |
| N5 | C25 | H41 | 125.9° | 125.6° |
| N6 | C24 | H40 | 125.6° | 126.6° |
| C24 | N6 | C25 | 107.4° | 107.2° |
| C24 | N6 | H42 | 126.3° | 126.4° |
| N6 | C25 | H41 | 125.9° | 125.7° |
| C25 | N6 | H42 | 126.3° | 126.4° |
| O6 | C26 | H43 | 118.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.6° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 2.9° | 0.0° |
| O1 | C1 | N1 | H4 | 177.1° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 178.6° | 179.7° |
| C2 | C1 | N1 | H4 | 1.4° | 0.4° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.6° | 179.7° |
| H2 | C2 | C1 | N1 | 61.4° | 59.7° |
| H3 | C2 | C1 | N1 | 58.6° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 122.0° | 120.0° |
| N1 | C3 | C4 | H5 | 117.9° | 120.0° |
| N1 | C3 | C5 | H5 | 121.5° | 120.0° |
| N1 | C3 | C4 | O2 | 57.9° | 16.9° |
| N1 | C3 | C5 | O3 | 60.5° | 60.4° |
| N1 | C3 | C5 | C6 | 177.6° | 59.6° |
| N1 | C3 | C5 | H6 | 58.4° | 179.5° |
| N1 | C3 | C4 | N2 | 119.8° | 163.0° |
| H4 | N1 | C3 | C4 | 94.0° | 25.0° |
| H4 | N1 | C3 | C5 | 27.3° | 94.9° |
| H4 | N1 | C3 | H5 | 148.5° | 145.1° |
| C4 | C3 | C5 | H5 | 120.0° | 120.0° |
| C3 | C4 | O2 | N2 | 177.5° | 179.9° |
| C4 | C3 | C5 | O3 | 178.9° | 59.6° |
| C4 | C3 | C5 | C6 | 59.2° | 179.6° |
| C4 | C3 | C5 | H6 | 60.0° | 60.5° |
| C3 | C4 | N2 | C7 | 178.2° | 174.1° |
| C3 | C4 | N2 | H11 | 1.8° | 5.9° |
| C4 | C3 | N1 | C1 | 86.0° | 155.0° |
| C5 | C3 | C4 | O2 | 64.1° | 103.1° |
| C3 | C5 | O3 | C6 | 122.9° | 120.0° |
| C3 | C5 | O3 | H6 | 118.1° | 120.0° |
| C3 | C5 | C6 | H6 | 119.3° | 120.0° |
| C3 | C5 | O3 | H7 | 180.0° | 60.0° |
| C3 | C5 | C6 | H8 | 180.0° | 64.6° |
| C3 | C5 | C6 | H9 | 60.0° | 175.4° |
| C3 | C5 | C6 | H10 | 60.0° | 55.4° |
| C5 | C3 | N1 | C1 | 152.7° | 85.0° |
| C5 | C3 | C4 | N2 | 118.2° | 77.0° |
| H5 | C3 | C4 | O2 | 175.8° | 136.9° |
| H5 | C3 | C5 | O3 | 61.0° | 179.6° |
| H5 | C3 | C5 | C6 | 60.9° | 60.4° |
| H5 | C3 | C5 | H6 | 179.9° | 59.5° |
| H5 | C3 | N1 | C1 | 31.5° | 35.0° |
| H5 | C3 | C4 | N2 | 1.9° | 43.0° |
| O2 | C4 | N2 | C7 | 0.6° | 5.8° |
| O2 | C4 | N2 | H11 | 179.4° | 174.2° |
| O3 | C5 | C6 | H6 | 119.9° | 120.1° |
| O3 | C5 | C6 | H8 | 59.2° | 55.4° |
| O3 | C5 | C6 | H9 | 179.2° | 64.6° |
| O3 | C5 | C6 | H10 | 60.8° | 175.3° |
| C6 | C5 | O3 | H7 | 57.1° | 180.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| H6 | C5 | O3 | H7 | 62.0° | 60.0° |
| H6 | C5 | C6 | H8 | 60.7° | 175.4° |
| H6 | C5 | C6 | H9 | 59.3° | 55.4° |
| H6 | C5 | C6 | H10 | 179.3° | 64.6° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| C7 | N2 | H11 | C4 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 121.5° | 120.0° |
| N2 | C7 | C8 | H12 | 119.7° | 120.0° |
| N2 | C7 | C9 | H12 | 119.6° | 120.0° |
| N2 | C7 | C8 | O4 | 52.7° | 15.4° |
| N2 | C7 | C9 | C10 | 172.0° | 65.5° |
| N2 | C7 | C9 | C11 | 48.7° | 54.5° |
| N2 | C7 | C9 | H13 | 70.0° | 174.5° |
| N2 | C7 | C8 | N3 | 128.0° | 164.6° |
| H11 | N2 | C7 | C8 | 67.5° | 25.0° |
| H11 | N2 | C7 | C9 | 54.5° | 95.0° |
| H11 | N2 | C7 | H12 | 173.4° | 145.1° |
| C8 | C7 | C9 | H12 | 119.0° | 120.0° |
| C7 | C8 | O4 | N3 | 179.2° | 180.0° |
| C8 | C7 | C9 | C10 | 66.6° | 174.5° |
| C8 | C7 | C9 | C11 | 170.0° | 65.5° |
| C8 | C7 | C9 | H13 | 51.3° | 54.5° |
| C7 | C8 | N3 | C12 | 178.2° | 174.9° |
| C7 | C8 | N3 | H20 | 1.9° | 5.2° |
| C8 | C7 | N2 | C4 | 112.5° | 155.0° |
| C9 | C7 | C8 | O4 | 68.7° | 104.6° |
| C7 | C9 | C10 | C11 | 125.2° | 120.0° |
| C7 | C9 | C10 | H13 | 117.8° | 120.0° |
| C7 | C9 | C11 | H13 | 118.6° | 120.0° |
| C7 | C9 | C10 | H14 | 180.0° | 66.9° |
| C7 | C9 | C10 | H15 | 60.0° | 173.2° |
| C7 | C9 | C10 | H16 | 60.0° | 53.2° |
| C7 | C9 | C11 | H17 | 180.0° | 60.0° |
| C7 | C9 | C11 | H18 | 60.0° | 180.0° |
| C7 | C9 | C11 | H19 | 60.0° | 60.0° |
| C9 | C7 | N2 | C4 | 125.4° | 85.0° |
| C9 | C7 | C8 | N3 | 110.5° | 75.4° |
| H12 | C7 | C8 | O4 | 172.4° | 135.4° |
| H12 | C7 | C9 | C10 | 52.4° | 54.5° |
| H12 | C7 | C9 | C11 | 71.0° | 174.5° |
| H12 | C7 | C9 | H13 | 170.3° | 65.6° |
| H12 | C7 | N2 | C4 | 6.6° | 34.9° |
| H12 | C7 | C8 | N3 | 8.4° | 44.5° |
| O4 | C8 | N3 | C12 | 1.1° | 5.1° |
| O4 | C8 | N3 | H20 | 178.9° | 174.9° |
| C10 | C9 | C11 | H13 | 117.1° | 120.0° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| C9 | C10 | H14 | H16 | 120.0° | 120.0° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C9 | C11 | H17 | 55.7° | 180.0° |
| C10 | C9 | C11 | H18 | 64.3° | 60.0° |
| C10 | C9 | C11 | H19 | 175.7° | 60.0° |
| C11 | C9 | C10 | H14 | 54.8° | 53.2° |
| C11 | C9 | C10 | H15 | 174.8° | 66.8° |
| C11 | C9 | C10 | H16 | 65.2° | 173.2° |
| C9 | C11 | H17 | H18 | 120.0° | 120.0° |
| C9 | C11 | H17 | H19 | 120.0° | 120.0° |
| C9 | C11 | H18 | H19 | 120.0° | 120.0° |
| H13 | C9 | C10 | H14 | 62.2° | 173.2° |
| H13 | C9 | C10 | H15 | 57.8° | 53.2° |
| H13 | C9 | C10 | H16 | 177.8° | 66.8° |
| H13 | C9 | C11 | H17 | 61.4° | 60.0° |
| H13 | C9 | C11 | H18 | 178.6° | 60.0° |
| H13 | C9 | C11 | H19 | 58.6° | 180.0° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
| C12 | N3 | H20 | C8 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 120.2° | 120.0° |
| N3 | C12 | C13 | H21 | 119.3° | 120.0° |
| N3 | C12 | C14 | H21 | 124.4° | 120.0° |
| N3 | C12 | C13 | O5 | 46.7° | 0.1° |
| N3 | C12 | C14 | C15 | 65.0° | 65.0° |
| N3 | C12 | C14 | H22 | 55.8° | 55.1° |
| N3 | C12 | C14 | H23 | 174.3° | 175.0° |
| N3 | C12 | C13 | N4 | 131.3° | 180.0° |
| H20 | N3 | C12 | C13 | 98.3° | 25.0° |
| H20 | N3 | C12 | C14 | 19.1° | 95.0° |
| H20 | N3 | C12 | H21 | 142.9° | 145.0° |
| C13 | C12 | C14 | H21 | 120.8° | 120.0° |
| C12 | C13 | O5 | N4 | 177.9° | 180.0° |
| C13 | C12 | C14 | C15 | 179.7° | 175.0° |
| C13 | C12 | C14 | H22 | 59.0° | 64.9° |
| C13 | C12 | C14 | H23 | 59.5° | 55.0° |
| C12 | C13 | N4 | C21 | 179.3° | 180.0° |
| C12 | C13 | N4 | H35 | 0.7° | 0.0° |
| C13 | C12 | N3 | C8 | 81.7° | 155.0° |
| C14 | C12 | C13 | O5 | 73.5° | 120.0° |
| C12 | C14 | C15 | H22 | 120.7° | 120.0° |
| C12 | C14 | C15 | H23 | 120.7° | 120.0° |
| C12 | C14 | H22 | H23 | 117.7° | 120.0° |
| C12 | C14 | C15 | C16 | 169.8° | 175.0° |
| C12 | C14 | C15 | C20 | 47.5° | 65.0° |
| C12 | C14 | C15 | H24 | 72.5° | 55.0° |
| C14 | C12 | N3 | C8 | 160.8° | 85.0° |
| C14 | C12 | C13 | N4 | 108.5° | 60.0° |
| H21 | C12 | C13 | O5 | 166.0° | 120.0° |
| H21 | C12 | C14 | C15 | 59.5° | 55.0° |
| H21 | C12 | C14 | H22 | 179.8° | 175.1° |
| H21 | C12 | C14 | H23 | 61.3° | 65.0° |
| H21 | C12 | N3 | C8 | 37.1° | 35.0° |
| H21 | C12 | C13 | N4 | 12.0° | 60.0° |
| O5 | C13 | N4 | C21 | 1.4° | 0.0° |
| O5 | C13 | N4 | H35 | 178.6° | 179.9° |
| C15 | C14 | H22 | H23 | 117.7° | 120.0° |
| C14 | C15 | C16 | C20 | 123.4° | 120.0° |
| C14 | C15 | C16 | H24 | 117.6° | 120.0° |
| C14 | C15 | C20 | H24 | 120.1° | 120.0° |
| C14 | C15 | C16 | C17 | 176.0° | 180.0° |
| C14 | C15 | C16 | H25 | 63.3° | 60.0° |
| C14 | C15 | C16 | H26 | 55.3° | 60.0° |
| C14 | C15 | C20 | C19 | 177.2° | 180.0° |
| C14 | C15 | C20 | H33 | 56.9° | 60.0° |
| C14 | C15 | C20 | H34 | 62.5° | 60.0° |
| H22 | C14 | C15 | C16 | 69.5° | 55.0° |
| H22 | C14 | C15 | C20 | 168.3° | 174.9° |
| H22 | C14 | C15 | H24 | 48.2° | 65.0° |
| H23 | C14 | C15 | C16 | 49.1° | 65.0° |
| H23 | C14 | C15 | C20 | 73.2° | 55.0° |
| H23 | C14 | C15 | H24 | 166.7° | 175.0° |
| C16 | C15 | C20 | H24 | 119.0° | 120.1° |
| C15 | C16 | C17 | H25 | 120.7° | 120.0° |
| C15 | C16 | C17 | H26 | 120.7° | 120.0° |
| C15 | C16 | H25 | H26 | 117.8° | 120.1° |
| C15 | C16 | C17 | C18 | 47.8° | 60.0° |
| C15 | C16 | C17 | H27 | 72.7° | 60.0° |
| C15 | C16 | C17 | H28 | 168.3° | 180.0° |
| C16 | C15 | C20 | C19 | 56.2° | 60.1° |
| C16 | C15 | C20 | H33 | 64.1° | 60.0° |
| C16 | C15 | C20 | H34 | 176.5° | 180.0° |
| C20 | C15 | C16 | C17 | 52.6° | 60.0° |
| C20 | C15 | C16 | H25 | 173.3° | 180.0° |
| C20 | C15 | C16 | H26 | 68.1° | 60.0° |
| C15 | C20 | C19 | C18 | 55.7° | 60.1° |
| C15 | C20 | C19 | H33 | 120.3° | 120.0° |
| C15 | C20 | C19 | H34 | 120.3° | 119.9° |
| C15 | C20 | C19 | H31 | 64.7° | 60.0° |
| C15 | C20 | C19 | H32 | 176.1° | 179.9° |
| C15 | C20 | H33 | H34 | 119.1° | 119.9° |
| H24 | C15 | C16 | C17 | 66.3° | 60.0° |
| H24 | C15 | C16 | H25 | 54.3° | 59.9° |
| H24 | C15 | C16 | H26 | 172.9° | 180.0° |
| H24 | C15 | C20 | C19 | 62.7° | 60.0° |
| H24 | C15 | C20 | H33 | 176.9° | 180.0° |
| H24 | C15 | C20 | H34 | 57.6° | 60.0° |
| C17 | C16 | H25 | H26 | 117.8° | 120.0° |
| C16 | C17 | C18 | H27 | 120.5° | 120.0° |
| C16 | C17 | C18 | H28 | 120.5° | 120.1° |
| C16 | C17 | H27 | H28 | 118.5° | 120.0° |
| C16 | C17 | C18 | C19 | 46.2° | 60.0° |
| C16 | C17 | C18 | H29 | 166.9° | 180.0° |
| C16 | C17 | C18 | H30 | 74.4° | 60.0° |
| H25 | C16 | C17 | C18 | 168.5° | 180.0° |
| H25 | C16 | C17 | H27 | 48.0° | 60.0° |
| H25 | C16 | C17 | H28 | 71.0° | 60.0° |
| H26 | C16 | C17 | C18 | 72.9° | 60.1° |
| H26 | C16 | C17 | H27 | 166.6° | 179.9° |
| H26 | C16 | C17 | H28 | 47.6° | 60.0° |
| C18 | C17 | H27 | H28 | 118.4° | 120.0° |
| C17 | C18 | C19 | H29 | 120.6° | 120.0° |
| C17 | C18 | C19 | H30 | 120.6° | 120.0° |
| C17 | C18 | H29 | H30 | 118.1° | 120.0° |
| C17 | C18 | C19 | C20 | 50.8° | 60.0° |
| C17 | C18 | C19 | H31 | 69.6° | 60.1° |
| C17 | C18 | C19 | H32 | 171.2° | 180.0° |
| H27 | C17 | C18 | C19 | 74.3° | 60.0° |
| H27 | C17 | C18 | H29 | 46.3° | 60.0° |
| H27 | C17 | C18 | H30 | 165.1° | 180.0° |
| H28 | C17 | C18 | C19 | 166.7° | 180.0° |
| H28 | C17 | C18 | H29 | 72.6° | 59.9° |
| H28 | C17 | C18 | H30 | 46.1° | 60.1° |
| C19 | C18 | H29 | H30 | 118.0° | 120.0° |
| C18 | C19 | C20 | H31 | 120.4° | 120.1° |
| C18 | C19 | C20 | H32 | 120.4° | 120.0° |
| C18 | C19 | H31 | H32 | 118.8° | 120.0° |
| C18 | C19 | C20 | H33 | 64.6° | 60.0° |
| C18 | C19 | C20 | H34 | 176.0° | 180.0° |
| H29 | C18 | C19 | C20 | 171.4° | 179.9° |
| H29 | C18 | C19 | H31 | 51.0° | 60.0° |
| H29 | C18 | C19 | H32 | 68.2° | 60.0° |
| H30 | C18 | C19 | C20 | 69.9° | 60.0° |
| H30 | C18 | C19 | H31 | 169.7° | 180.0° |
| H30 | C18 | C19 | H32 | 50.5° | 60.0° |
| C20 | C19 | H31 | H32 | 118.9° | 120.0° |
| C19 | C20 | H33 | H34 | 119.1° | 120.1° |
| H31 | C19 | C20 | H33 | 175.0° | 180.0° |
| H31 | C19 | C20 | H34 | 55.6° | 59.9° |
| H32 | C19 | C20 | H33 | 55.8° | 60.0° |
| H32 | C19 | C20 | H34 | 63.6° | 60.0° |
| C21 | N4 | H35 | C13 | 180.0° | 180.0° |
| N4 | C21 | C22 | C26 | 122.1° | 120.0° |
| N4 | C21 | C22 | H36 | 118.3° | 120.0° |
| N4 | C21 | C26 | H36 | 117.3° | 120.0° |
| N4 | C21 | C22 | C23 | 84.6° | 65.0° |
| N4 | C21 | C22 | H37 | 35.6° | 55.0° |
| N4 | C21 | C22 | H38 | 155.3° | 175.0° |
| N4 | C21 | C26 | O6 | 161.6° | 0.0° |
| N4 | C21 | C26 | H43 | 18.4° | 180.0° |
| H35 | N4 | C21 | C22 | 41.4° | 25.0° |
| H35 | N4 | C21 | C26 | 84.0° | 95.0° |
| H35 | N4 | C21 | H36 | 159.2° | 145.0° |
| C22 | C21 | C26 | H36 | 119.7° | 120.0° |
| C21 | C22 | C23 | H37 | 120.1° | 120.0° |
| C21 | C22 | C23 | H38 | 120.1° | 120.1° |
| C21 | C22 | H37 | H38 | 119.6° | 120.1° |
| C21 | C22 | C23 | N5 | 163.1° | 95.0° |
| C21 | C22 | C23 | C24 | 17.9° | 85.3° |
| C22 | C21 | C26 | O6 | 38.6° | 120.0° |
| C22 | C21 | C26 | H43 | 141.4° | 59.9° |
| C22 | C21 | N4 | C13 | 138.6° | 155.0° |
| C26 | C21 | C22 | C23 | 153.3° | 175.0° |
| C26 | C21 | C22 | H37 | 86.5° | 65.0° |
| C26 | C21 | C22 | H38 | 33.2° | 55.0° |
| C21 | C26 | O6 | H43 | 180.0° | 180.0° |
| C26 | C21 | N4 | C13 | 96.0° | 85.0° |
| H36 | C21 | C22 | C23 | 33.7° | 55.0° |
| H36 | C21 | C22 | H37 | 153.8° | 175.0° |
| H36 | C21 | C22 | H38 | 86.4° | 65.0° |
| H36 | C21 | C26 | O6 | 81.1° | 120.0° |
| H36 | C21 | C26 | H43 | 98.9° | 60.0° |
| H36 | C21 | N4 | C13 | 20.8° | 35.0° |
| C23 | C22 | H37 | H38 | 119.6° | 119.9° |
| C22 | C23 | N5 | C24 | 179.2° | 179.8° |
| C22 | C23 | N5 | C25 | 179.5° | 180.0° |
| C22 | C23 | N5 | H39 | 0.5° | 0.1° |
| C22 | C23 | C24 | N6 | 179.5° | 180.0° |
| C22 | C23 | C24 | H40 | 0.4° | 0.0° |
| H37 | C22 | C23 | N5 | 43.0° | 25.0° |
| H37 | C22 | C23 | C24 | 138.0° | 154.7° |
| H38 | C22 | C23 | N5 | 76.8° | 144.9° |
| H38 | C22 | C23 | C24 | 102.2° | 34.8° |
| C23 | N5 | C25 | H39 | 180.0° | 179.9° |
| N5 | C23 | C24 | N6 | 0.4° | 0.3° |
| N5 | C23 | C24 | H40 | 179.6° | 179.7° |
| C23 | N5 | C25 | N6 | 0.2° | 0.2° |
| C23 | N5 | C25 | H41 | 179.8° | 180.0° |
| C24 | C23 | N5 | C25 | 0.3° | 0.3° |
| C24 | C23 | N5 | H39 | 179.6° | 179.9° |
| C23 | C24 | N6 | H40 | 180.0° | 180.0° |
| C23 | C24 | N6 | C25 | 0.3° | 0.2° |
| C23 | C24 | N6 | H42 | 179.7° | 180.0° |
| N5 | C25 | N6 | C24 | 0.1° | 0.0° |
| N5 | C25 | N6 | H41 | 180.0° | 179.8° |
| N5 | C25 | N6 | H42 | 179.9° | 179.8° |
| H39 | N5 | C25 | N6 | 179.8° | 180.0° |
| H39 | N5 | C25 | H41 | 0.2° | 0.1° |
| C24 | N6 | C25 | H42 | 180.0° | 179.8° |
| C24 | N6 | C25 | H41 | 180.0° | 179.8° |
| H40 | C24 | N6 | C25 | 179.7° | 179.8° |
| H40 | C24 | N6 | H42 | 0.3° | 0.0° |
| H41 | C25 | N6 | H42 | 0.1° | 0.0° |
