PRD_000235
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 | 1.52Å | |
| 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 | 1.49Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.47Å | 1.44Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| 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 | 1.45Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.24Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| O5 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | N4 | sing | 1.34Å | 1.33Å | |
| C16 | C19 | sing | 1.53Å | 1.54Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C17 | C18 | sing | 1.55Å | 1.62Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C17 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | N4 | sing | 1.47Å | 1.52Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | N5 | sing | 1.47Å | 1.47Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C21 | O6 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| O6 | H39 | sing | 0.97Å | 0.95Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| N5 | C13 | sing | 1.35Å | 1.46Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.4° | 120.0° |
| O1 | C1 | N1 | 124.1° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | N1 | 115.5° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 116.8° | 120.0° |
| N1 | C3 | C4 | 112.3° | 109.5° |
| N1 | C3 | C5 | 115.3° | 109.5° |
| N1 | C3 | H5 | 106.3° | 109.5° |
| C3 | N1 | C1 | 126.4° | 120.0° |
| H4 | N1 | C1 | 116.8° | 120.0° |
| C4 | C3 | C5 | 110.5° | 109.5° |
| C4 | C3 | H5 | 105.9° | 109.5° |
| C3 | C4 | O2 | 122.1° | 120.0° |
| C3 | C4 | N2 | 114.4° | 120.0° |
| C5 | C3 | H5 | 105.8° | 109.5° |
| C3 | C5 | C6 | 107.8° | 109.5° |
| C3 | C5 | H6 | 109.9° | 109.5° |
| C3 | C5 | H7 | 109.9° | 109.5° |
| O2 | C4 | N2 | 123.5° | 120.0° |
| C6 | C5 | H6 | 109.9° | 109.4° |
| C6 | C5 | H7 | 109.9° | 109.5° |
| C5 | C6 | C7 | 109.6° | 109.5° |
| C5 | C6 | C8 | 115.0° | 109.4° |
| C5 | C6 | H8 | 106.9° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| C7 | C6 | C8 | 111.4° | 109.4° |
| C7 | C6 | H8 | 106.8° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.4° | 109.5° |
| C8 | C6 | H8 | 106.7° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| C9 | N2 | H15 | 118.7° | 120.0° |
| N2 | C9 | C10 | 110.5° | 109.5° |
| N2 | C9 | C11 | 109.0° | 109.4° |
| N2 | C9 | H16 | 109.7° | 109.5° |
| C9 | N2 | C4 | 122.7° | 120.0° |
| H15 | N2 | C4 | 118.6° | 120.0° |
| C10 | C9 | C11 | 110.7° | 109.5° |
| C10 | C9 | H16 | 108.5° | 109.5° |
| C9 | C10 | O3 | 121.2° | 120.0° |
| C9 | C10 | N3 | 115.8° | 120.0° |
| C11 | C9 | H16 | 108.4° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.4° |
| C9 | C11 | H18 | 109.5° | 109.5° |
| C9 | C11 | H19 | 109.5° | 109.5° |
| O3 | C10 | N3 | 122.9° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H17 | C11 | H19 | 109.4° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| C12 | N3 | H20 | 119.5° | 120.0° |
| N3 | C12 | C13 | 106.5° | 109.4° |
| N3 | C12 | C14 | 110.1° | 109.5° |
| N3 | C12 | H21 | 110.7° | 109.5° |
| C12 | N3 | C10 | 121.1° | 119.9° |
| H20 | N3 | C10 | 119.5° | 120.0° |
| C13 | C12 | C14 | 110.1° | 109.5° |
| C13 | C12 | H21 | 109.6° | 109.4° |
| C12 | C13 | O4 | 118.4° | 120.0° |
| C12 | C13 | N5 | 120.1° | 120.0° |
| C14 | C12 | H21 | 109.8° | 109.5° |
| C12 | C14 | H22 | 109.5° | 109.5° |
| C12 | C14 | H23 | 109.5° | 109.5° |
| C12 | C14 | H24 | 109.5° | 109.5° |
| O4 | C13 | N5 | 121.2° | 120.0° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H24 | 109.4° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| O5 | C15 | C16 | 124.6° | 124.9° |
| O5 | C15 | N4 | 124.4° | 125.0° |
| C16 | C15 | N4 | 111.0° | 110.1° |
| C15 | C16 | C19 | 113.4° | 110.5° |
| C15 | C16 | H32 | 109.1° | 110.4° |
| C15 | C16 | C17 | 103.6° | 104.2° |
| C15 | N4 | C18 | 116.8° | 111.3° |
| C15 | N4 | H33 | 121.6° | 124.3° |
| C19 | C16 | H32 | 108.6° | 110.5° |
| C19 | C16 | C17 | 113.5° | 110.5° |
| C16 | C19 | C20 | 116.5° | 109.5° |
| C16 | C19 | H30 | 107.7° | 109.4° |
| C16 | C19 | H31 | 107.7° | 109.5° |
| H32 | C16 | C17 | 108.5° | 110.6° |
| C16 | C17 | C18 | 108.7° | 101.8° |
| C16 | C17 | H36 | 109.7° | 110.9° |
| C16 | C17 | H37 | 109.7° | 111.0° |
| C18 | C17 | H36 | 109.7° | 110.9° |
| C18 | C17 | H37 | 109.7° | 111.0° |
| C17 | C18 | N4 | 97.1° | 105.5° |
| C17 | C18 | H34 | 112.5° | 110.2° |
| C17 | C18 | H35 | 112.5° | 110.2° |
| H36 | C17 | H37 | 109.5° | 110.9° |
| N4 | C18 | H34 | 112.5° | 110.4° |
| N4 | C18 | H35 | 112.5° | 110.1° |
| C18 | N4 | H33 | 121.6° | 124.3° |
| H34 | C18 | H35 | 109.5° | 110.3° |
| C20 | C19 | H30 | 107.7° | 109.4° |
| C20 | C19 | H31 | 107.7° | 109.5° |
| C19 | C20 | N5 | 113.6° | 109.4° |
| C19 | C20 | H26 | 107.5° | 109.5° |
| C19 | C20 | C21 | 112.0° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| N5 | C20 | H26 | 108.4° | 109.5° |
| N5 | C20 | C21 | 107.6° | 109.5° |
| C20 | N5 | H25 | 119.6° | 120.0° |
| C20 | N5 | C13 | 120.7° | 120.0° |
| H26 | C20 | C21 | 107.6° | 109.5° |
| C20 | C21 | O6 | 110.0° | 109.5° |
| C20 | C21 | C22 | 111.0° | 109.4° |
| C20 | C21 | H38 | 108.7° | 109.5° |
| H25 | N5 | C13 | 119.7° | 120.0° |
| O6 | C21 | C22 | 108.2° | 109.5° |
| O6 | C21 | H38 | 110.1° | 109.5° |
| C21 | O6 | H39 | 109.5° | 114.0° |
| C22 | C21 | H38 | 108.8° | 109.5° |
| C21 | C22 | H27 | 109.5° | 109.5° |
| C21 | C22 | H28 | 109.5° | 109.4° |
| C21 | C22 | H29 | 109.5° | 109.4° |
| H27 | C22 | H28 | 109.5° | 109.4° |
| H27 | C22 | H29 | 109.5° | 109.5° |
| H28 | C22 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.1° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 29.9° |
| O1 | C1 | N1 | C3 | 9.4° | 0.0° |
| O1 | C1 | N1 | H4 | 170.6° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | N1 | C3 | 172.6° | 179.8° |
| C2 | C1 | N1 | H4 | 7.4° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | N1 | 178.1° | 89.8° |
| H2 | C2 | C1 | N1 | 58.1° | 30.3° |
| H3 | C2 | C1 | N1 | 61.9° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 130.3° | 120.0° |
| N1 | C3 | C4 | H5 | 115.5° | 120.0° |
| N1 | C3 | C5 | H5 | 117.1° | 120.0° |
| N1 | C3 | C4 | O2 | 155.3° | 20.0° |
| N1 | C3 | C5 | C6 | 163.6° | 65.0° |
| N1 | C3 | C5 | H6 | 43.9° | 55.0° |
| N1 | C3 | C5 | H7 | 76.7° | 175.0° |
| N1 | C3 | C4 | N2 | 26.0° | 160.0° |
| H4 | N1 | C3 | C4 | 81.6° | 120.0° |
| H4 | N1 | C3 | C5 | 150.6° | 120.1° |
| H4 | N1 | C3 | H5 | 33.7° | 0.0° |
| C4 | C3 | C5 | H5 | 114.2° | 120.0° |
| C3 | C4 | O2 | N2 | 178.5° | 180.0° |
| C4 | C3 | C5 | C6 | 67.7° | 175.0° |
| C4 | C3 | C5 | H6 | 172.6° | 65.0° |
| C4 | C3 | C5 | H7 | 52.0° | 55.0° |
| C3 | C4 | N2 | C9 | 174.5° | 180.0° |
| C3 | C4 | N2 | H15 | 5.5° | 0.0° |
| C4 | C3 | N1 | C1 | 98.4° | 60.0° |
| C5 | C3 | C4 | O2 | 25.0° | 99.9° |
| C3 | C5 | C6 | H6 | 119.7° | 120.1° |
| C3 | C5 | C6 | H7 | 119.7° | 120.0° |
| C3 | C5 | H6 | H7 | 120.8° | 120.1° |
| C3 | C5 | C6 | C7 | 103.4° | 175.0° |
| C3 | C5 | C6 | C8 | 130.3° | 65.0° |
| C3 | C5 | C6 | H8 | 12.0° | 55.0° |
| C5 | C3 | N1 | C1 | 29.4° | 60.0° |
| C5 | C3 | C4 | N2 | 156.3° | 80.0° |
| H5 | C3 | C4 | O2 | 89.1° | 140.0° |
| H5 | C3 | C5 | C6 | 46.5° | 55.0° |
| H5 | C3 | C5 | H6 | 73.2° | 175.0° |
| H5 | C3 | C5 | H7 | 166.2° | 65.0° |
| H5 | C3 | N1 | C1 | 146.3° | 180.0° |
| H5 | C3 | C4 | N2 | 89.5° | 40.0° |
| O2 | C4 | N2 | C9 | 6.9° | 0.0° |
| O2 | C4 | N2 | H15 | 173.1° | 180.0° |
| C6 | C5 | H6 | H7 | 120.8° | 119.9° |
| C5 | C6 | C7 | C8 | 128.4° | 120.0° |
| C5 | C6 | C7 | H8 | 115.5° | 120.0° |
| C5 | C6 | C8 | H8 | 118.4° | 120.0° |
| C5 | C6 | C7 | H9 | 180.0° | 60.0° |
| C5 | C6 | C7 | H10 | 60.0° | 180.0° |
| C5 | C6 | C7 | H11 | 60.0° | 60.0° |
| C5 | C6 | C8 | H12 | 180.0° | 60.0° |
| C5 | C6 | C8 | H13 | 60.0° | 60.0° |
| C5 | C6 | C8 | H14 | 60.0° | 180.0° |
| H6 | C5 | C6 | C7 | 16.4° | 55.0° |
| H6 | C5 | C6 | C8 | 110.0° | 174.9° |
| H6 | C5 | C6 | H8 | 131.7° | 65.0° |
| H7 | C5 | C6 | C7 | 136.9° | 64.9° |
| H7 | C5 | C6 | C8 | 10.5° | 55.0° |
| H7 | C5 | C6 | H8 | 107.7° | 175.0° |
| C7 | C6 | C8 | H8 | 116.2° | 120.0° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C7 | C6 | C8 | H12 | 54.5° | 60.0° |
| C7 | C6 | C8 | H13 | 65.5° | 180.0° |
| C7 | C6 | C8 | H14 | 174.6° | 60.1° |
| C8 | C6 | C7 | H9 | 51.6° | 60.0° |
| C8 | C6 | C7 | H10 | 171.6° | 60.0° |
| C8 | C6 | C7 | H11 | 68.4° | 180.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 64.6° | 180.0° |
| H8 | C6 | C7 | H10 | 55.4° | 60.0° |
| H8 | C6 | C7 | H11 | 175.4° | 60.0° |
| H8 | C6 | C8 | H12 | 61.7° | 180.0° |
| H8 | C6 | C8 | H13 | 178.4° | 60.0° |
| H8 | C6 | C8 | H14 | 58.4° | 59.9° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C4 | 180.0° | 180.0° |
| N2 | C9 | C10 | C11 | 120.9° | 119.9° |
| N2 | C9 | C10 | H16 | 120.3° | 120.1° |
| N2 | C9 | C11 | H16 | 119.3° | 120.0° |
| N2 | C9 | C10 | O3 | 40.0° | 0.0° |
| N2 | C9 | C11 | H17 | 180.0° | 180.0° |
| N2 | C9 | C11 | H18 | 60.0° | 60.0° |
| N2 | C9 | C11 | H19 | 60.0° | 60.0° |
| N2 | C9 | C10 | N3 | 140.5° | 180.0° |
| H15 | N2 | C9 | C10 | 95.6° | 25.0° |
| H15 | N2 | C9 | C11 | 26.4° | 95.0° |
| H15 | N2 | C9 | H16 | 144.9° | 145.0° |
| C10 | C9 | C11 | H16 | 118.9° | 120.1° |
| C9 | C10 | O3 | N3 | 179.5° | 180.0° |
| C10 | C9 | C11 | H17 | 58.2° | 60.0° |
| C10 | C9 | C11 | H18 | 178.2° | 180.0° |
| C10 | C9 | C11 | H19 | 61.8° | 59.9° |
| C9 | C10 | N3 | C12 | 162.8° | 180.0° |
| C9 | C10 | N3 | H20 | 17.2° | 0.0° |
| C10 | C9 | N2 | C4 | 84.4° | 155.0° |
| C11 | C9 | C10 | O3 | 80.8° | 120.0° |
| C9 | C11 | H17 | H18 | 120.0° | 120.0° |
| C9 | C11 | H17 | H19 | 120.0° | 120.0° |
| C9 | C11 | H18 | H19 | 120.0° | 120.1° |
| C11 | C9 | N2 | C4 | 153.6° | 85.0° |
| C11 | C9 | C10 | N3 | 98.7° | 60.0° |
| H16 | C9 | C10 | O3 | 160.3° | 120.0° |
| H16 | C9 | C11 | H17 | 60.7° | 60.0° |
| H16 | C9 | C11 | H18 | 59.3° | 59.9° |
| H16 | C9 | C11 | H19 | 179.3° | 180.0° |
| H16 | C9 | N2 | C4 | 35.1° | 34.9° |
| H16 | C9 | C10 | N3 | 20.2° | 60.0° |
| O3 | C10 | N3 | C12 | 16.7° | 0.0° |
| O3 | C10 | N3 | H20 | 163.3° | 180.0° |
| H17 | C11 | H18 | H19 | 119.9° | 120.0° |
| C12 | N3 | H20 | C10 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 119.3° | 120.0° |
| N3 | C12 | C13 | H21 | 119.8° | 120.0° |
| N3 | C12 | C14 | H21 | 122.1° | 120.1° |
| N3 | C12 | C13 | O4 | 40.1° | 0.0° |
| N3 | C12 | C14 | H22 | 180.0° | 59.9° |
| N3 | C12 | C14 | H23 | 60.0° | 180.0° |
| N3 | C12 | C14 | H24 | 60.0° | 60.0° |
| N3 | C12 | C13 | N5 | 133.7° | 180.0° |
| H20 | N3 | C12 | C13 | 116.9° | 25.1° |
| H20 | N3 | C12 | C14 | 2.4° | 94.9° |
| H20 | N3 | C12 | H21 | 124.0° | 145.0° |
| C13 | C12 | C14 | H21 | 120.8° | 120.0° |
| C12 | C13 | O4 | N5 | 173.7° | 180.0° |
| C13 | C12 | C14 | H22 | 62.9° | 60.0° |
| C13 | C12 | C14 | H23 | 177.0° | 60.0° |
| C13 | C12 | C14 | H24 | 57.0° | 180.0° |
| C12 | C13 | N5 | C20 | 177.0° | 180.0° |
| C12 | C13 | N5 | H25 | 3.0° | 0.0° |
| C13 | C12 | N3 | C10 | 63.1° | 155.0° |
| C14 | C12 | C13 | O4 | 79.2° | 120.0° |
| C12 | C14 | H22 | H23 | 120.0° | 120.0° |
| C12 | C14 | H22 | H24 | 120.0° | 120.0° |
| C12 | C14 | H23 | H24 | 120.0° | 120.0° |
| C14 | C12 | C13 | N5 | 107.0° | 60.0° |
| C14 | C12 | N3 | C10 | 177.6° | 85.0° |
| H21 | C12 | C13 | O4 | 159.9° | 120.0° |
| H21 | C12 | C14 | H22 | 57.9° | 180.0° |
| H21 | C12 | C14 | H23 | 62.2° | 59.9° |
| H21 | C12 | C14 | H24 | 177.8° | 60.0° |
| H21 | C12 | C13 | N5 | 13.9° | 60.0° |
| H21 | C12 | N3 | C10 | 56.0° | 35.1° |
| O4 | C13 | N5 | C20 | 3.4° | 0.0° |
| O4 | C13 | N5 | H25 | 176.6° | 180.0° |
| H22 | C14 | H23 | H24 | 120.0° | 120.0° |
| O5 | C15 | C16 | N4 | 177.0° | 179.8° |
| O5 | C15 | C16 | C19 | 59.5° | 45.0° |
| O5 | C15 | C16 | H32 | 61.6° | 77.5° |
| O5 | C15 | C16 | C17 | 177.0° | 163.8° |
| O5 | C15 | N4 | C18 | 171.1° | 179.7° |
| O5 | C15 | N4 | H33 | 8.9° | 0.4° |
| C15 | C16 | C19 | H32 | 121.4° | 122.5° |
| C15 | C16 | C19 | C17 | 117.8° | 114.8° |
| C15 | C16 | H32 | C17 | 112.2° | 114.8° |
| C15 | C16 | C17 | C18 | 10.5° | 24.7° |
| C15 | C16 | C17 | H36 | 130.4° | 93.3° |
| C15 | C16 | C17 | H37 | 109.4° | 142.9° |
| C16 | C15 | N4 | C18 | 11.9° | 0.1° |
| C16 | C15 | N4 | H33 | 168.1° | 179.8° |
| C15 | C16 | C19 | C20 | 172.4° | 173.6° |
| C15 | C16 | C19 | H30 | 66.6° | 66.4° |
| C15 | C16 | C19 | H31 | 51.4° | 53.6° |
| N4 | C15 | C16 | C19 | 123.5° | 135.2° |
| N4 | C15 | C16 | H32 | 115.4° | 102.3° |
| N4 | C15 | C16 | C17 | 0.0° | 16.4° |
| C15 | N4 | C18 | C17 | 16.9° | 16.6° |
| C15 | N4 | C18 | H33 | 180.0° | 179.9° |
| C15 | N4 | C18 | H34 | 101.0° | 135.7° |
| C15 | N4 | C18 | H35 | 134.9° | 102.2° |
| C19 | C16 | H32 | C17 | 123.8° | 122.7° |
| C19 | C16 | C17 | C18 | 112.9° | 143.5° |
| C19 | C16 | C17 | H36 | 7.0° | 25.4° |
| C19 | C16 | C17 | H37 | 127.2° | 98.4° |
| C16 | C19 | C20 | H30 | 121.0° | 120.0° |
| C16 | C19 | C20 | H31 | 121.0° | 120.1° |
| C16 | C19 | H30 | H31 | 116.9° | 120.0° |
| C16 | C19 | C20 | N5 | 57.6° | 63.2° |
| C16 | C19 | C20 | H26 | 62.3° | 56.8° |
| C16 | C19 | C20 | C21 | 179.8° | 176.8° |
| H32 | C16 | C17 | C18 | 126.3° | 93.9° |
| H32 | C16 | C17 | H36 | 113.8° | 148.0° |
| H32 | C16 | C17 | H37 | 6.4° | 24.3° |
| H32 | C16 | C19 | C20 | 51.0° | 51.1° |
| H32 | C16 | C19 | H30 | 172.0° | 171.1° |
| H32 | C16 | C19 | H31 | 70.0° | 68.9° |
| C16 | C17 | C18 | H36 | 119.9° | 118.1° |
| C16 | C17 | C18 | H37 | 119.9° | 118.2° |
| C16 | C17 | H36 | H37 | 120.4° | 123.8° |
| C16 | C17 | C18 | N4 | 15.5° | 25.2° |
| C16 | C17 | C18 | H34 | 102.4° | 144.4° |
| C16 | C17 | C18 | H35 | 133.4° | 93.6° |
| C17 | C16 | C19 | C20 | 69.8° | 71.6° |
| C17 | C16 | C19 | H30 | 51.2° | 48.4° |
| C17 | C16 | C19 | H31 | 169.2° | 168.4° |
| C18 | C17 | H36 | H37 | 120.3° | 123.8° |
| C17 | C18 | N4 | H34 | 117.9° | 119.1° |
| C17 | C18 | N4 | H35 | 117.9° | 118.9° |
| C17 | C18 | H34 | H35 | 125.8° | 121.9° |
| C17 | C18 | N4 | H33 | 163.1° | 163.2° |
| H36 | C17 | C18 | N4 | 135.4° | 92.9° |
| H36 | C17 | C18 | H34 | 17.4° | 26.3° |
| H36 | C17 | C18 | H35 | 106.7° | 148.3° |
| H37 | C17 | C18 | N4 | 104.4° | 143.4° |
| H37 | C17 | C18 | H34 | 137.7° | 97.4° |
| H37 | C17 | C18 | H35 | 13.5° | 24.6° |
| N4 | C18 | H34 | H35 | 125.8° | 121.9° |
| H34 | C18 | N4 | H33 | 79.0° | 44.2° |
| H35 | C18 | N4 | H33 | 45.2° | 77.9° |
| C20 | C19 | H30 | H31 | 116.8° | 120.0° |
| C19 | C20 | N5 | H26 | 119.4° | 120.0° |
| C19 | C20 | N5 | C21 | 124.6° | 120.0° |
| C19 | C20 | H26 | C21 | 120.8° | 120.0° |
| C19 | C20 | N5 | H25 | 61.3° | 35.4° |
| C19 | C20 | C21 | O6 | 68.5° | 60.1° |
| C19 | C20 | C21 | C22 | 171.7° | 180.0° |
| C19 | C20 | C21 | H38 | 52.1° | 60.0° |
| C19 | C20 | N5 | C13 | 118.7° | 144.7° |
| H30 | C19 | C20 | N5 | 178.6° | 176.8° |
| H30 | C19 | C20 | H26 | 58.7° | 63.2° |
| H30 | C19 | C20 | C21 | 59.2° | 56.8° |
| H31 | C19 | C20 | N5 | 63.4° | 56.9° |
| H31 | C19 | C20 | H26 | 176.7° | 176.8° |
| H31 | C19 | C20 | C21 | 58.8° | 63.1° |
| N5 | C20 | H26 | C21 | 116.1° | 120.0° |
| C20 | N5 | H25 | C13 | 180.0° | 179.9° |
| N5 | C20 | C21 | O6 | 165.9° | 180.0° |
| N5 | C20 | C21 | C22 | 46.1° | 60.1° |
| N5 | C20 | C21 | H38 | 73.5° | 60.0° |
| H26 | C20 | N5 | H25 | 179.3° | 155.4° |
| H26 | C20 | C21 | O6 | 49.3° | 60.0° |
| H26 | C20 | C21 | C22 | 70.4° | 60.0° |
| H26 | C20 | C21 | H38 | 170.0° | 180.0° |
| H26 | C20 | N5 | C13 | 0.7° | 24.7° |
| C21 | C20 | N5 | H25 | 63.3° | 84.6° |
| C20 | C21 | O6 | C22 | 121.4° | 119.9° |
| C20 | C21 | O6 | H38 | 119.8° | 120.0° |
| C20 | C21 | C22 | H38 | 119.6° | 120.0° |
| C20 | C21 | O6 | H39 | 180.0° | 60.1° |
| C20 | C21 | C22 | H27 | 180.0° | 60.0° |
| C20 | C21 | C22 | H28 | 60.0° | 180.0° |
| C20 | C21 | C22 | H29 | 60.0° | 60.1° |
| C21 | C20 | N5 | C13 | 116.7° | 95.3° |
| O6 | C21 | C22 | H38 | 119.6° | 120.0° |
| O6 | C21 | C22 | H27 | 59.2° | 59.9° |
| O6 | C21 | C22 | H28 | 179.2° | 60.1° |
| O6 | C21 | C22 | H29 | 60.8° | 180.0° |
| C22 | C21 | O6 | H39 | 58.5° | 180.0° |
| C21 | C22 | H27 | H28 | 120.0° | 120.0° |
| C21 | C22 | H27 | H29 | 120.0° | 120.0° |
| C21 | C22 | H28 | H29 | 120.0° | 119.9° |
| H38 | C21 | O6 | H39 | 60.2° | 60.0° |
| H38 | C21 | C22 | H27 | 60.4° | 180.0° |
| H38 | C21 | C22 | H28 | 59.6° | 60.0° |
| H38 | C21 | C22 | H29 | 179.6° | 60.0° |
| H27 | C22 | H28 | H29 | 120.0° | 120.0° |
