PRD_000425
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| 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 | 1.47Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.45Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.26Å | |
| C11 | O5 | sing | 1.34Å | 1.26Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| N3 | C12 | sing | 1.46Å | 1.45Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | O6 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | C17 | sing | 1.46Å | 1.45Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | O7 | doub | 1.21Å | 1.23Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | O8 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | N5 | sing | 1.46Å | 1.46Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| O8 | H35 | sing | 0.97Å | 0.95Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | O10 | doub | 1.21Å | 1.25Å | |
| C23 | O9 | sing | 1.34Å | 1.25Å | |
| O9 | H39 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| N5 | C18 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| C13 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.4° | 120.0° |
| O1 | C1 | N1 | 121.8° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.4° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 118.9° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.6° | 120.0° |
| N1 | C3 | C4 | 110.8° | 109.4° |
| N1 | C3 | C5 | 110.5° | 109.5° |
| N1 | C3 | H5 | 109.7° | 109.4° |
| C3 | N1 | C1 | 120.8° | 120.0° |
| H4 | N1 | C1 | 119.6° | 120.0° |
| C4 | C3 | C5 | 108.3° | 109.5° |
| C4 | C3 | H5 | 108.9° | 109.5° |
| C3 | C4 | O2 | 121.1° | 120.0° |
| C3 | C4 | N2 | 115.9° | 120.0° |
| C5 | C3 | H5 | 108.6° | 109.5° |
| C3 | C5 | C6 | 110.6° | 109.5° |
| C3 | C5 | C7 | 109.8° | 109.5° |
| C3 | C5 | H6 | 108.3° | 109.5° |
| O2 | C4 | N2 | 123.0° | 120.0° |
| C6 | C5 | C7 | 110.7° | 109.4° |
| C6 | C5 | H6 | 108.6° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.4° |
| C5 | C6 | H9 | 109.4° | 109.5° |
| C7 | C5 | H6 | 108.7° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.4° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.4° | 109.4° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N2 | H13 | 119.3° | 120.0° |
| N2 | C8 | C9 | 109.6° | 109.5° |
| N2 | C8 | C10 | 109.2° | 109.5° |
| N2 | C8 | H14 | 109.7° | 109.5° |
| C8 | N2 | C4 | 121.5° | 120.0° |
| H13 | N2 | C4 | 119.3° | 120.0° |
| C9 | C8 | C10 | 110.9° | 109.5° |
| C9 | C8 | H14 | 108.7° | 109.5° |
| C8 | C9 | O3 | 120.9° | 120.0° |
| C8 | C9 | N3 | 116.6° | 120.0° |
| C10 | C8 | H14 | 108.7° | 109.5° |
| C8 | C10 | C11 | 112.3° | 109.5° |
| C8 | C10 | H15 | 108.7° | 109.4° |
| C8 | C10 | H16 | 108.8° | 109.5° |
| O3 | C9 | N3 | 122.5° | 120.0° |
| C11 | C10 | H15 | 108.8° | 109.5° |
| C11 | C10 | H16 | 108.7° | 109.5° |
| C10 | C11 | O4 | 118.0° | 120.0° |
| C10 | C11 | O5 | 118.8° | 120.0° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| O4 | C11 | O5 | 123.2° | 120.0° |
| C11 | O5 | H17 | 109.5° | 117.0° |
| C12 | N3 | H18 | 119.5° | 120.0° |
| N3 | C12 | C13 | 109.3° | 109.5° |
| N3 | C12 | C14 | 111.2° | 109.5° |
| N3 | C12 | H19 | 109.4° | 109.5° |
| C12 | N3 | C9 | 121.0° | 120.0° |
| H18 | N3 | C9 | 119.5° | 119.9° |
| C13 | C12 | C14 | 110.2° | 109.5° |
| C13 | C12 | H19 | 108.5° | 109.5° |
| C12 | C13 | O6 | 120.5° | 120.0° |
| C12 | C13 | N4 | 116.5° | 120.0° |
| C14 | C12 | H19 | 108.2° | 109.5° |
| C12 | C14 | C15 | 109.9° | 109.5° |
| C12 | C14 | C16 | 110.3° | 109.5° |
| C12 | C14 | H20 | 108.7° | 109.4° |
| O6 | C13 | N4 | 123.0° | 120.0° |
| C15 | C14 | C16 | 109.9° | 109.5° |
| C15 | C14 | H20 | 109.0° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C14 | C15 | H22 | 109.4° | 109.5° |
| C14 | C15 | H23 | 109.4° | 109.5° |
| C16 | C14 | H20 | 109.1° | 109.4° |
| C14 | C16 | H24 | 109.5° | 109.5° |
| C14 | C16 | H25 | 109.4° | 109.5° |
| C14 | C16 | H26 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.4° |
| H21 | C15 | H23 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H26 | 109.5° | 109.4° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| C17 | N4 | H27 | 119.5° | 120.0° |
| N4 | C17 | C18 | 112.1° | 109.5° |
| N4 | C17 | C19 | 110.0° | 109.5° |
| N4 | C17 | H28 | 108.6° | 109.5° |
| C17 | N4 | C13 | 121.1° | 120.0° |
| H27 | N4 | C13 | 119.5° | 120.0° |
| C18 | C17 | C19 | 110.4° | 109.5° |
| C18 | C17 | H28 | 107.7° | 109.4° |
| C17 | C18 | O7 | 120.9° | 120.0° |
| C17 | C18 | N5 | 115.6° | 120.0° |
| C19 | C17 | H28 | 107.9° | 109.5° |
| C17 | C19 | H29 | 109.5° | 109.5° |
| C17 | C19 | H30 | 109.5° | 109.5° |
| C17 | C19 | H31 | 109.5° | 109.5° |
| O7 | C18 | N5 | 123.5° | 119.9° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.4° |
| O8 | C20 | C21 | 111.0° | 109.5° |
| O8 | C20 | H32 | 109.1° | 109.5° |
| O8 | C20 | H33 | 109.1° | 109.5° |
| C20 | O8 | H35 | 109.5° | 114.0° |
| C21 | C20 | H32 | 109.1° | 109.5° |
| C21 | C20 | H33 | 109.1° | 109.4° |
| C20 | C21 | N5 | 109.7° | 109.5° |
| C20 | C21 | C22 | 108.9° | 109.5° |
| C20 | C21 | H36 | 109.0° | 109.4° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| C21 | N5 | H34 | 118.4° | 120.0° |
| N5 | C21 | C22 | 110.0° | 109.5° |
| N5 | C21 | H36 | 110.1° | 109.5° |
| C21 | N5 | C18 | 123.2° | 120.0° |
| H34 | N5 | C18 | 118.4° | 120.0° |
| C22 | C21 | H36 | 109.1° | 109.5° |
| C21 | C22 | C23 | 112.9° | 109.5° |
| C21 | C22 | H37 | 108.6° | 109.4° |
| C21 | C22 | H38 | 108.6° | 109.5° |
| C23 | C22 | H37 | 108.6° | 109.5° |
| C23 | C22 | H38 | 108.6° | 109.5° |
| C22 | C23 | O10 | 118.1° | 120.1° |
| C22 | C23 | O9 | 119.5° | 120.0° |
| H37 | C22 | H38 | 109.5° | 109.4° |
| O10 | C23 | O9 | 122.3° | 120.0° |
| C23 | O9 | H39 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.0° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.1° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 11.7° | 0.0° |
| O1 | C1 | N1 | H4 | 168.3° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | N1 | C3 | 167.3° | 179.8° |
| C2 | C1 | N1 | H4 | 12.7° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.0° | 89.7° |
| H2 | C2 | C1 | N1 | 59.0° | 30.3° |
| H3 | C2 | C1 | N1 | 61.0° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 121.3° | 120.0° |
| N1 | C3 | C4 | H5 | 120.8° | 119.9° |
| N1 | C3 | C5 | H5 | 120.4° | 120.0° |
| N1 | C3 | C4 | O2 | 13.6° | 0.0° |
| N1 | C3 | C5 | C6 | 58.5° | 60.0° |
| N1 | C3 | C5 | C7 | 63.9° | 60.0° |
| N1 | C3 | C5 | H6 | 177.5° | 180.0° |
| N1 | C3 | C4 | N2 | 166.5° | 180.0° |
| H4 | N1 | C3 | C4 | 96.7° | 25.0° |
| H4 | N1 | C3 | C5 | 23.3° | 95.0° |
| H4 | N1 | C3 | H5 | 142.9° | 145.0° |
| C4 | C3 | C5 | H5 | 118.1° | 120.1° |
| C3 | C4 | O2 | N2 | 179.8° | 180.0° |
| C4 | C3 | C5 | C6 | 179.9° | 180.0° |
| C4 | C3 | C5 | C7 | 57.6° | 60.0° |
| C4 | C3 | C5 | H6 | 61.0° | 60.0° |
| C3 | C4 | N2 | C8 | 179.6° | 175.2° |
| C3 | C4 | N2 | H13 | 0.5° | 4.8° |
| C4 | C3 | N1 | C1 | 83.3° | 155.0° |
| C5 | C3 | C4 | O2 | 107.7° | 120.0° |
| C3 | C5 | C6 | C7 | 121.9° | 120.0° |
| C3 | C5 | C6 | H6 | 118.7° | 120.0° |
| C3 | C5 | C7 | H6 | 118.3° | 120.0° |
| C3 | C5 | C6 | H7 | 180.0° | 180.0° |
| C3 | C5 | C6 | H8 | 60.0° | 60.0° |
| C3 | C5 | C6 | H9 | 60.0° | 60.0° |
| C3 | C5 | C7 | H10 | 180.0° | 60.0° |
| C3 | C5 | C7 | H11 | 60.0° | 180.0° |
| C3 | C5 | C7 | H12 | 60.0° | 60.0° |
| C5 | C3 | N1 | C1 | 156.7° | 85.0° |
| C5 | C3 | C4 | N2 | 72.2° | 60.0° |
| H5 | C3 | C4 | O2 | 134.5° | 120.0° |
| H5 | C3 | C5 | C6 | 61.8° | 60.0° |
| H5 | C3 | C5 | C7 | 175.7° | 179.9° |
| H5 | C3 | C5 | H6 | 57.1° | 60.0° |
| H5 | C3 | N1 | C1 | 37.1° | 35.0° |
| H5 | C3 | C4 | N2 | 45.7° | 60.0° |
| O2 | C4 | N2 | C8 | 0.3° | 4.8° |
| O2 | C4 | N2 | H13 | 179.7° | 175.2° |
| C6 | C5 | C7 | H6 | 119.3° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C5 | C7 | H10 | 57.6° | 180.0° |
| C6 | C5 | C7 | H11 | 62.4° | 60.0° |
| C6 | C5 | C7 | H12 | 177.6° | 60.0° |
| C7 | C5 | C6 | H7 | 58.1° | 60.0° |
| C7 | C5 | C6 | H8 | 178.1° | 180.0° |
| C7 | C5 | C6 | H9 | 61.9° | 60.0° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 61.3° | 60.0° |
| H6 | C5 | C6 | H8 | 58.7° | 60.0° |
| H6 | C5 | C6 | H9 | 178.7° | 180.0° |
| H6 | C5 | C7 | H10 | 61.7° | 60.0° |
| H6 | C5 | C7 | H11 | 178.3° | 59.9° |
| H6 | C5 | C7 | H12 | 58.3° | NaN° |
| H7 | C6 | H8 | H9 | 120.0° | 120.1° |
| H10 | C7 | H11 | H12 | 119.9° | 120.0° |
| C8 | N2 | H13 | C4 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 120.6° | 120.0° |
| N2 | C8 | C9 | H14 | 119.9° | 120.0° |
| N2 | C8 | C10 | H14 | 119.6° | 120.0° |
| N2 | C8 | C9 | O3 | 40.2° | 0.0° |
| N2 | C8 | C10 | C11 | 60.0° | 63.8° |
| N2 | C8 | C10 | H15 | 60.4° | 56.3° |
| N2 | C8 | C10 | H16 | 179.6° | 176.2° |
| N2 | C8 | C9 | N3 | 138.8° | 180.0° |
| H13 | N2 | C8 | C9 | 80.1° | 91.7° |
| H13 | N2 | C8 | C10 | 41.6° | 28.3° |
| H13 | N2 | C8 | H14 | 160.6° | 148.3° |
| C9 | C8 | C10 | H14 | 119.5° | 120.0° |
| C8 | C9 | O3 | N3 | 178.9° | 179.9° |
| C9 | C8 | C10 | C11 | 179.1° | 176.2° |
| C9 | C8 | C10 | H15 | 60.5° | 63.7° |
| C9 | C8 | C10 | H16 | 58.6° | 56.2° |
| C8 | C9 | N3 | C12 | 179.3° | 180.0° |
| C8 | C9 | N3 | H18 | 0.7° | 0.1° |
| C9 | C8 | N2 | C4 | 100.0° | 88.3° |
| C10 | C8 | C9 | O3 | 80.5° | 120.0° |
| C8 | C10 | C11 | H15 | 120.4° | 120.0° |
| C8 | C10 | C11 | H16 | 120.4° | 120.0° |
| C8 | C10 | H15 | H16 | 118.7° | 119.9° |
| C8 | C10 | C11 | O4 | 58.7° | 5.6° |
| C8 | C10 | C11 | O5 | 121.1° | 174.3° |
| C10 | C8 | N2 | C4 | 138.3° | 151.7° |
| C10 | C8 | C9 | N3 | 100.6° | 60.0° |
| H14 | C8 | C9 | O3 | 160.1° | 120.0° |
| H14 | C8 | C10 | C11 | 59.6° | 56.3° |
| H14 | C8 | C10 | H15 | 180.0° | 176.3° |
| H14 | C8 | C10 | H16 | 60.8° | 63.8° |
| H14 | C8 | N2 | C4 | 19.4° | 31.7° |
| H14 | C8 | C9 | N3 | 18.9° | 60.0° |
| O3 | C9 | N3 | C12 | 1.8° | 0.1° |
| O3 | C9 | N3 | H18 | 178.2° | 180.0° |
| C11 | C10 | H15 | H16 | 118.7° | 120.0° |
| C10 | C11 | O4 | O5 | 179.8° | 179.9° |
| C10 | C11 | O5 | H17 | 179.7° | 180.0° |
| H15 | C10 | C11 | O4 | 179.1° | 125.6° |
| H15 | C10 | C11 | O5 | 0.7° | 54.3° |
| H16 | C10 | C11 | O4 | 61.8° | 114.3° |
| H16 | C10 | C11 | O5 | 118.4° | 65.7° |
| O4 | C11 | O5 | H17 | 0.0° | 0.1° |
| C12 | N3 | H18 | C9 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 122.4° | 120.0° |
| N3 | C12 | C13 | H19 | 119.2° | 120.0° |
| N3 | C12 | C14 | H19 | 120.2° | 120.0° |
| N3 | C12 | C13 | O6 | 22.0° | 18.2° |
| N3 | C12 | C14 | C15 | 65.1° | 65.3° |
| N3 | C12 | C14 | C16 | 56.2° | 54.7° |
| N3 | C12 | C14 | H20 | 175.7° | 174.7° |
| N3 | C12 | C13 | N4 | 157.5° | 161.7° |
| H18 | N3 | C12 | C13 | 50.6° | 25.1° |
| H18 | N3 | C12 | C14 | 71.3° | 94.9° |
| H18 | N3 | C12 | H19 | 169.3° | 145.1° |
| C13 | C12 | C14 | H19 | 118.5° | 120.0° |
| C12 | C13 | O6 | N4 | 179.5° | 179.9° |
| C13 | C12 | C14 | C15 | 173.6° | 174.6° |
| C13 | C12 | C14 | C16 | 65.1° | 65.3° |
| C13 | C12 | C14 | H20 | 54.4° | 54.7° |
| C12 | C13 | N4 | C17 | 178.9° | 175.1° |
| C12 | C13 | N4 | H27 | 1.1° | 5.0° |
| C13 | C12 | N3 | C9 | 129.4° | 155.0° |
| C14 | C12 | C13 | O6 | 100.4° | 101.8° |
| C12 | C14 | C15 | C16 | 121.5° | 120.1° |
| C12 | C14 | C15 | H20 | 119.0° | 120.0° |
| C12 | C14 | C16 | H20 | 119.3° | 120.0° |
| C12 | C14 | C15 | H21 | 180.0° | 67.3° |
| C12 | C14 | C15 | H22 | 60.0° | 172.8° |
| C12 | C14 | C15 | H23 | 60.0° | 52.7° |
| C12 | C14 | C16 | H24 | 180.0° | 60.0° |
| C12 | C14 | C16 | H25 | 60.0° | 180.0° |
| C12 | C14 | C16 | H26 | 60.0° | 60.0° |
| C14 | C12 | N3 | C9 | 108.7° | 84.9° |
| C14 | C12 | C13 | N4 | 80.1° | 78.3° |
| H19 | C12 | C13 | O6 | 141.3° | 138.3° |
| H19 | C12 | C14 | C15 | 55.0° | 54.7° |
| H19 | C12 | C14 | C16 | 176.3° | 174.7° |
| H19 | C12 | C14 | H20 | 64.1° | 65.3° |
| H19 | C12 | N3 | C9 | 10.7° | 35.0° |
| H19 | C12 | C13 | N4 | 38.3° | 41.7° |
| O6 | C13 | N4 | C17 | 0.6° | 4.9° |
| O6 | C13 | N4 | H27 | 179.4° | 175.1° |
| C15 | C14 | C16 | H20 | 119.4° | 120.0° |
| C14 | C15 | H21 | H22 | 120.0° | 120.0° |
| C14 | C15 | H21 | H23 | 120.0° | 120.0° |
| C14 | C15 | H22 | H23 | 119.9° | 120.1° |
| C15 | C14 | C16 | H24 | 58.7° | 180.0° |
| C15 | C14 | C16 | H25 | 61.3° | 60.0° |
| C15 | C14 | C16 | H26 | 178.7° | 60.0° |
| C16 | C14 | C15 | H21 | 58.5° | 52.8° |
| C16 | C14 | C15 | H22 | 178.5° | 67.2° |
| C16 | C14 | C15 | H23 | 61.6° | 172.8° |
| C14 | C16 | H24 | H25 | 120.0° | 120.0° |
| C14 | C16 | H24 | H26 | 120.0° | 120.0° |
| C14 | C16 | H25 | H26 | 120.0° | 120.0° |
| H20 | C14 | C15 | H21 | 61.0° | 172.7° |
| H20 | C14 | C15 | H22 | 59.0° | 52.8° |
| H20 | C14 | C15 | H23 | 179.0° | 67.2° |
| H20 | C14 | C16 | H24 | 60.7° | 60.0° |
| H20 | C14 | C16 | H25 | 179.3° | 60.0° |
| H20 | C14 | C16 | H26 | 59.4° | 180.0° |
| H21 | C15 | H22 | H23 | 120.0° | 120.0° |
| H24 | C16 | H25 | H26 | 120.0° | 120.0° |
| C17 | N4 | H27 | C13 | 180.0° | 180.0° |
| N4 | C17 | C18 | C19 | 123.0° | 120.0° |
| N4 | C17 | C18 | H28 | 119.4° | 120.0° |
| N4 | C17 | C19 | H28 | 118.3° | 120.0° |
| N4 | C17 | C18 | O7 | 18.3° | 0.0° |
| N4 | C17 | C19 | H29 | 180.0° | 180.0° |
| N4 | C17 | C19 | H30 | 60.0° | 60.0° |
| N4 | C17 | C19 | H31 | 60.0° | 60.0° |
| N4 | C17 | C18 | N5 | 159.8° | 180.0° |
| H27 | N4 | C17 | C18 | 93.0° | 25.0° |
| H27 | N4 | C17 | C19 | 30.3° | 95.0° |
| H27 | N4 | C17 | H28 | 148.1° | 145.0° |
| C18 | C17 | C19 | H28 | 117.5° | 119.9° |
| C17 | C18 | O7 | N5 | 178.0° | 180.0° |
| C18 | C17 | C19 | H29 | 55.7° | 60.0° |
| C18 | C17 | C19 | H30 | 175.7° | 180.0° |
| C18 | C17 | C19 | H31 | 64.3° | 60.0° |
| C17 | C18 | N5 | C21 | 179.2° | 180.0° |
| C17 | C18 | N5 | H34 | 0.8° | 0.1° |
| C18 | C17 | N4 | C13 | 87.0° | 155.0° |
| C19 | C17 | C18 | O7 | 104.7° | 120.0° |
| C17 | C19 | H29 | H30 | 120.0° | 120.0° |
| C17 | C19 | H29 | H31 | 120.0° | 120.0° |
| C17 | C19 | H30 | H31 | 120.0° | 120.0° |
| C19 | C17 | C18 | N5 | 77.1° | 59.9° |
| C19 | C17 | N4 | C13 | 149.7° | 85.0° |
| H28 | C17 | C18 | O7 | 137.8° | 120.0° |
| H28 | C17 | C19 | H29 | 61.7° | 59.9° |
| H28 | C17 | C19 | H30 | 58.3° | 60.1° |
| H28 | C17 | C19 | H31 | 178.2° | 180.0° |
| H28 | C17 | C18 | N5 | 40.4° | 60.0° |
| H28 | C17 | N4 | C13 | 31.9° | 35.0° |
| O7 | C18 | N5 | C21 | 2.7° | 0.1° |
| O7 | C18 | N5 | H34 | 177.3° | 180.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| O8 | C20 | C21 | H32 | 120.3° | 120.0° |
| O8 | C20 | C21 | H33 | 120.2° | 120.0° |
| O8 | C20 | H32 | H33 | 119.3° | 120.0° |
| O8 | C20 | C21 | N5 | 167.9° | 65.0° |
| O8 | C20 | C21 | C22 | 47.5° | 55.1° |
| O8 | C20 | C21 | H36 | 71.4° | 175.0° |
| C21 | C20 | H32 | H33 | 119.3° | 120.0° |
| C20 | C21 | N5 | C22 | 119.7° | 120.0° |
| C20 | C21 | N5 | H36 | 120.0° | 120.0° |
| C20 | C21 | N5 | H34 | 60.9° | 95.0° |
| C21 | C20 | O8 | H35 | 180.0° | 180.0° |
| C20 | C21 | C22 | H36 | 118.9° | 119.9° |
| C20 | C21 | C22 | C23 | 133.8° | 175.0° |
| C20 | C21 | C22 | H37 | 105.7° | 65.0° |
| C20 | C21 | C22 | H38 | 13.3° | 54.9° |
| C20 | C21 | N5 | C18 | 119.2° | 85.1° |
| H32 | C20 | C21 | N5 | 71.8° | 175.0° |
| H32 | C20 | O8 | H35 | 59.8° | 59.9° |
| H32 | C20 | C21 | C22 | 167.7° | 65.0° |
| H32 | C20 | C21 | H36 | 48.8° | 55.0° |
| H33 | C20 | C21 | N5 | 47.7° | 55.0° |
| H33 | C20 | O8 | H35 | 59.8° | 60.1° |
| H33 | C20 | C21 | C22 | 72.7° | 175.0° |
| H33 | C20 | C21 | H36 | 168.4° | 65.0° |
| C21 | N5 | H34 | C18 | 180.0° | 179.9° |
| N5 | C21 | C22 | H36 | 120.9° | 120.1° |
| N5 | C21 | C22 | C23 | 106.0° | 65.0° |
| N5 | C21 | C22 | H37 | 14.6° | 55.0° |
| N5 | C21 | C22 | H38 | 133.5° | 174.9° |
| H34 | N5 | C21 | C22 | 58.9° | 24.9° |
| H34 | N5 | C21 | H36 | 179.1° | 145.0° |
| C21 | C22 | C23 | H37 | 120.5° | 120.0° |
| C21 | C22 | C23 | H38 | 120.5° | 120.0° |
| C21 | C22 | H37 | H38 | 118.5° | 120.0° |
| C21 | C22 | C23 | O10 | 147.4° | 0.0° |
| C21 | C22 | C23 | O9 | 32.9° | 180.0° |
| C22 | C21 | N5 | C18 | 121.1° | 154.9° |
| H36 | C21 | C22 | C23 | 14.9° | 55.1° |
| H36 | C21 | C22 | H37 | 135.5° | 175.0° |
| H36 | C21 | C22 | H38 | 105.6° | 65.0° |
| H36 | C21 | N5 | C18 | 0.8° | 34.9° |
| C23 | C22 | H37 | H38 | 118.4° | 120.0° |
| C22 | C23 | O10 | O9 | 179.6° | 180.0° |
| C22 | C23 | O9 | H39 | 179.6° | 180.0° |
| H37 | C22 | C23 | O10 | 26.9° | 120.0° |
| H37 | C22 | C23 | O9 | 153.4° | 60.0° |
| H38 | C22 | C23 | O10 | 92.0° | 120.0° |
| H38 | C22 | C23 | O9 | 87.6° | 60.0° |
| O10 | C23 | O9 | H39 | 0.0° | 0.1° |
