PRD_000405
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 | 1.55Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| 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 | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C13 | sing | 1.51Å | 1.53Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.56Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C9 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | O3 | sing | 1.34Å | 1.24Å | |
| C10 | O4 | doub | 1.21Å | 1.24Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| C13 | O5 | doub | 1.21Å | 1.24Å | |
| N3 | C14 | sing | 1.46Å | 1.46Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C19 | sing | 1.51Å | 1.53Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | O6 | doub | 1.21Å | 1.24Å | |
| C16 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C17 | sing | 1.46Å | 1.46Å | |
| N4 | C18 | sing | 1.46Å | 1.45Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | O7 | doub | 1.21Å | 1.24Å | |
| N5 | C20 | sing | 1.46Å | 1.46Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.57Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | O8 | doub | 1.21Å | 1.38Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | F1 | sing | 1.40Å | 1.31Å | |
| C23 | F2 | sing | 1.40Å | 1.31Å | |
| C23 | F3 | sing | 1.40Å | 1.31Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| C19 | N5 | sing | 1.35Å | 1.33Å | |
| C21 | C23 | sing | 1.51Å | 1.55Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.6° | 120.0° |
| O1 | C1 | N1 | 123.6° | 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 | 118.8° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C3 | N1 | H4 | 118.7° | 120.0° |
| N1 | C3 | C4 | 112.2° | 109.5° |
| N1 | C3 | C5 | 110.0° | 109.5° |
| N1 | C3 | H5 | 109.1° | 109.5° |
| C3 | N1 | C1 | 122.6° | 120.0° |
| H4 | N1 | C1 | 118.7° | 120.0° |
| C4 | C3 | C5 | 109.4° | 109.5° |
| C4 | C3 | H5 | 108.1° | 109.4° |
| C3 | C4 | O2 | 120.5° | 120.0° |
| C3 | C4 | N2 | 116.8° | 120.0° |
| C5 | C3 | H5 | 107.9° | 109.5° |
| C3 | C5 | C6 | 110.8° | 109.5° |
| C3 | C5 | C7 | 109.5° | 109.4° |
| C3 | C5 | H6 | 108.5° | 109.4° |
| O2 | C4 | N2 | 122.6° | 120.0° |
| C6 | C5 | C7 | 110.3° | 109.5° |
| C6 | C5 | H6 | 108.9° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C7 | C5 | H6 | 108.9° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.4° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.4° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N2 | H13 | 119.4° | 120.0° |
| N2 | C8 | C9 | 111.8° | 109.5° |
| N2 | C8 | C13 | 108.8° | 109.5° |
| N2 | C8 | H14 | 109.4° | 109.4° |
| C8 | N2 | C4 | 121.3° | 120.0° |
| H13 | N2 | C4 | 119.3° | 120.0° |
| C9 | C8 | C13 | 109.9° | 109.5° |
| C9 | C8 | H14 | 108.4° | 109.5° |
| C8 | C9 | C10 | 112.8° | 109.5° |
| C8 | C9 | C11 | 109.2° | 109.5° |
| C8 | C9 | C12 | 108.8° | 109.4° |
| C13 | C8 | H14 | 108.5° | 109.4° |
| C8 | C13 | O5 | 120.9° | 120.0° |
| C8 | C13 | N3 | 116.1° | 120.0° |
| C10 | C9 | C11 | 109.3° | 109.5° |
| C10 | C9 | C12 | 107.6° | 109.5° |
| C9 | C10 | O3 | 124.3° | 120.0° |
| C9 | C10 | O4 | 125.0° | 120.0° |
| C11 | C9 | C12 | 109.0° | 109.5° |
| C9 | C11 | H15 | 109.5° | 109.5° |
| C9 | C11 | H16 | 109.5° | 109.4° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C9 | C12 | H18 | 109.5° | 109.5° |
| C9 | C12 | H19 | 109.5° | 109.4° |
| C9 | C12 | H20 | 109.5° | 109.5° |
| O3 | C10 | O4 | 110.7° | 120.0° |
| C10 | O3 | H21 | 109.5° | 117.0° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.4° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| O5 | C13 | N3 | 123.0° | 120.0° |
| C14 | N3 | H22 | 119.2° | 120.0° |
| N3 | C14 | C15 | 110.4° | 109.5° |
| N3 | C14 | C19 | 114.3° | 109.5° |
| N3 | C14 | H23 | 108.3° | 109.5° |
| C14 | N3 | C13 | 121.5° | 120.0° |
| H22 | N3 | C13 | 119.2° | 120.0° |
| C15 | C14 | C19 | 108.7° | 109.4° |
| C15 | C14 | H23 | 107.4° | 109.4° |
| C14 | C15 | C16 | 113.0° | 109.5° |
| C14 | C15 | H24 | 108.6° | 109.5° |
| C14 | C15 | H25 | 108.6° | 109.5° |
| C19 | C14 | H23 | 107.5° | 109.5° |
| C14 | C19 | O7 | 120.9° | 120.0° |
| C14 | C19 | N5 | 115.6° | 120.1° |
| C16 | C15 | H24 | 108.6° | 109.5° |
| C16 | C15 | H25 | 108.6° | 109.4° |
| C15 | C16 | O6 | 120.8° | 120.0° |
| C15 | C16 | N4 | 116.5° | 120.0° |
| H24 | C15 | H25 | 109.5° | 109.4° |
| O6 | C16 | N4 | 122.7° | 120.0° |
| C16 | N4 | C17 | 124.5° | 120.0° |
| C16 | N4 | C18 | 121.0° | 120.0° |
| C17 | N4 | C18 | 114.5° | 120.0° |
| N4 | C17 | H26 | 109.5° | 109.5° |
| N4 | C17 | H27 | 109.5° | 109.5° |
| N4 | C17 | H28 | 109.5° | 109.5° |
| N4 | C18 | H29 | 109.5° | 109.5° |
| N4 | C18 | H30 | 109.5° | 109.5° |
| N4 | C18 | H31 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.4° | 109.4° |
| H26 | C17 | H28 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.4° |
| H29 | C18 | H31 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.4° | 109.5° |
| O7 | C19 | N5 | 123.5° | 120.0° |
| C20 | N5 | H32 | 118.6° | 120.0° |
| N5 | C20 | C21 | 111.6° | 109.4° |
| N5 | C20 | C22 | 109.7° | 109.5° |
| N5 | C20 | H33 | 109.2° | 109.5° |
| C20 | N5 | C19 | 122.9° | 120.0° |
| H32 | N5 | C19 | 118.5° | 120.0° |
| C21 | C20 | C22 | 110.0° | 109.5° |
| C21 | C20 | H33 | 107.9° | 109.5° |
| C20 | C21 | O8 | 108.0° | 120.0° |
| C20 | C21 | C23 | 111.9° | 120.0° |
| C22 | C20 | H33 | 108.3° | 109.5° |
| C20 | C22 | H34 | 109.5° | 109.5° |
| C20 | C22 | H35 | 109.5° | 109.5° |
| C20 | C22 | H36 | 109.5° | 109.5° |
| O8 | C21 | C23 | 109.5° | 120.0° |
| H34 | C22 | H35 | 109.4° | 109.4° |
| H34 | C22 | H36 | 109.5° | 109.5° |
| H35 | C22 | H36 | 109.5° | 109.4° |
| F1 | C23 | F2 | 105.4° | 109.5° |
| F1 | C23 | F3 | 107.6° | 109.5° |
| F1 | C23 | C21 | 108.4° | 109.4° |
| F2 | C23 | F3 | 106.9° | 109.5° |
| F2 | C23 | C21 | 113.2° | 109.5° |
| F3 | C23 | C21 | 114.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.4° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 1.2° | 0.0° |
| O1 | C1 | N1 | H4 | 178.8° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 179.5° | 179.7° |
| C2 | C1 | N1 | H4 | 0.6° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.4° | 89.7° |
| H2 | C2 | C1 | N1 | 59.4° | 30.3° |
| H3 | C2 | C1 | N1 | 60.6° | 150.2° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 122.3° | 120.0° |
| N1 | C3 | C4 | H5 | 120.4° | 120.0° |
| N1 | C3 | C5 | H5 | 118.9° | 120.0° |
| N1 | C3 | C4 | O2 | 27.2° | 13.8° |
| N1 | C3 | C5 | C6 | 174.6° | 65.0° |
| N1 | C3 | C5 | C7 | 63.6° | 55.0° |
| N1 | C3 | C5 | H6 | 55.2° | 175.0° |
| N1 | C3 | C4 | N2 | 151.6° | 166.1° |
| H4 | N1 | C3 | C4 | 51.2° | 25.0° |
| H4 | N1 | C3 | C5 | 70.8° | 95.0° |
| H4 | N1 | C3 | H5 | 171.0° | 145.0° |
| C4 | C3 | C5 | H5 | 117.4° | 119.9° |
| C3 | C4 | O2 | N2 | 178.7° | 179.9° |
| C4 | C3 | C5 | C6 | 50.9° | 175.0° |
| C4 | C3 | C5 | C7 | 172.7° | 65.0° |
| C4 | C3 | C5 | H6 | 68.5° | 55.0° |
| C3 | C4 | N2 | C8 | 178.5° | 176.0° |
| C3 | C4 | N2 | H13 | 1.5° | 4.1° |
| C4 | C3 | N1 | C1 | 128.8° | 155.0° |
| C5 | C3 | C4 | O2 | 95.2° | 106.2° |
| C3 | C5 | C6 | C7 | 121.4° | 120.0° |
| C3 | C5 | C6 | H6 | 119.2° | 120.0° |
| C3 | C5 | C7 | H6 | 118.5° | 120.0° |
| C3 | C5 | C6 | H7 | 180.0° | 61.8° |
| C3 | C5 | C6 | H8 | 60.0° | 178.1° |
| C3 | C5 | C6 | H9 | 60.0° | 58.1° |
| 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 | 109.2° | 85.0° |
| C5 | C3 | C4 | N2 | 86.0° | 73.9° |
| H5 | C3 | C4 | O2 | 147.5° | 133.8° |
| H5 | C3 | C5 | C6 | 66.5° | 55.1° |
| H5 | C3 | C5 | C7 | 55.3° | 175.1° |
| H5 | C3 | C5 | H6 | 174.0° | 64.9° |
| H5 | C3 | N1 | C1 | 9.0° | 35.0° |
| H5 | C3 | C4 | N2 | 31.3° | 46.1° |
| O2 | C4 | N2 | C8 | 2.8° | 4.0° |
| O2 | C4 | N2 | H13 | 177.3° | 176.0° |
| C6 | C5 | C7 | H6 | 119.4° | 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 | 57.9° | 180.0° |
| C6 | C5 | C7 | H11 | 62.1° | 60.0° |
| C6 | C5 | C7 | H12 | 177.9° | 60.0° |
| C7 | C5 | C6 | H7 | 58.6° | 58.1° |
| C7 | C5 | C6 | H8 | 178.6° | 61.9° |
| C7 | C5 | C6 | H9 | 61.4° | 178.1° |
| 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 | 60.8° | 178.2° |
| H6 | C5 | C6 | H8 | 59.2° | 58.1° |
| H6 | C5 | C6 | H9 | 179.2° | 61.9° |
| H6 | C5 | C7 | H10 | 61.5° | 59.9° |
| H6 | C5 | C7 | H11 | 178.5° | 60.1° |
| H6 | C5 | C7 | H12 | 58.5° | 180.0° |
| H7 | C6 | H8 | H9 | 119.9° | 120.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| C8 | N2 | H13 | C4 | 180.0° | 179.9° |
| N2 | C8 | C9 | C13 | 120.9° | 120.0° |
| N2 | C8 | C9 | H14 | 120.7° | 120.0° |
| N2 | C8 | C13 | H14 | 118.9° | 119.9° |
| N2 | C8 | C9 | C10 | 68.7° | 178.0° |
| N2 | C8 | C9 | C11 | 53.0° | 58.0° |
| N2 | C8 | C9 | C12 | 171.9° | 62.0° |
| N2 | C8 | C13 | O5 | 46.1° | 23.6° |
| N2 | C8 | C13 | N3 | 133.5° | 156.4° |
| H13 | N2 | C8 | C9 | 63.4° | 95.0° |
| H13 | N2 | C8 | C13 | 58.2° | 25.0° |
| H13 | N2 | C8 | H14 | 176.5° | 144.9° |
| C9 | C8 | C13 | H14 | 118.4° | 120.0° |
| C8 | C9 | C10 | C11 | 121.7° | 120.0° |
| C8 | C9 | C10 | C12 | 120.0° | 120.0° |
| C8 | C9 | C11 | C12 | 118.8° | 120.0° |
| C8 | C9 | C10 | O3 | 53.1° | 60.0° |
| C8 | C9 | C10 | O4 | 129.6° | 120.1° |
| C8 | C9 | C11 | H15 | 180.0° | 60.0° |
| C8 | C9 | C11 | H16 | 60.0° | 180.0° |
| C8 | C9 | C11 | H17 | 60.0° | 60.0° |
| C8 | C9 | C12 | H18 | 180.0° | 65.2° |
| C8 | C9 | C12 | H19 | 60.0° | 174.8° |
| C8 | C9 | C12 | H20 | 60.0° | 54.8° |
| C9 | C8 | C13 | O5 | 76.6° | 96.5° |
| C9 | C8 | N2 | C4 | 116.6° | 85.0° |
| C9 | C8 | C13 | N3 | 103.8° | 83.5° |
| C13 | C8 | C9 | C10 | 170.3° | 62.0° |
| C13 | C8 | C9 | C11 | 67.9° | 178.0° |
| C13 | C8 | C9 | C12 | 51.0° | 58.0° |
| C8 | C13 | O5 | N3 | 179.6° | 180.0° |
| C8 | C13 | N3 | C14 | 178.9° | 176.8° |
| C8 | C13 | N3 | H22 | 1.1° | 3.1° |
| C13 | C8 | N2 | C4 | 121.8° | 154.9° |
| H14 | C8 | C9 | C10 | 51.9° | 58.0° |
| H14 | C8 | C9 | C11 | 173.7° | 62.0° |
| H14 | C8 | C9 | C12 | 67.4° | 178.0° |
| H14 | C8 | C13 | O5 | 165.0° | 143.5° |
| H14 | C8 | N2 | C4 | 3.5° | 35.0° |
| H14 | C8 | C13 | N3 | 14.6° | 36.5° |
| C10 | C9 | C11 | C12 | 117.4° | 120.0° |
| C9 | C10 | O3 | O4 | 177.7° | 179.9° |
| C10 | C9 | C11 | H15 | 56.2° | 180.0° |
| C10 | C9 | C11 | H16 | 63.8° | 60.0° |
| C10 | C9 | C11 | H17 | 176.2° | 60.0° |
| C10 | C9 | C12 | H18 | 57.5° | 54.7° |
| C10 | C9 | C12 | H19 | 177.5° | 65.2° |
| C10 | C9 | C12 | H20 | 62.5° | 174.8° |
| C9 | C10 | O3 | H21 | 177.7° | 180.0° |
| C11 | C9 | C10 | O3 | 174.7° | 60.0° |
| C11 | C9 | C10 | O4 | 7.9° | 119.9° |
| C9 | C11 | H15 | H16 | 120.0° | 120.0° |
| C9 | C11 | H15 | H17 | 120.0° | 120.0° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C9 | C12 | H18 | 61.0° | 174.8° |
| C11 | C9 | C12 | H19 | 59.0° | 54.8° |
| C11 | C9 | C12 | H20 | 179.0° | 65.1° |
| C12 | C9 | C10 | O3 | 67.0° | 180.0° |
| C12 | C9 | C10 | O4 | 110.4° | 0.1° |
| C12 | C9 | C11 | H15 | 61.2° | 60.0° |
| C12 | C9 | C11 | H16 | 178.8° | 60.1° |
| C12 | C9 | C11 | H17 | 58.8° | 180.0° |
| C9 | C12 | H18 | H19 | 120.0° | 120.0° |
| C9 | C12 | H18 | H20 | 120.0° | 120.1° |
| C9 | C12 | H19 | H20 | 120.0° | 120.0° |
| O4 | C10 | O3 | H21 | 0.0° | 0.1° |
| H15 | C11 | H16 | H17 | 119.9° | 120.0° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| O5 | C13 | N3 | C14 | 0.7° | 3.2° |
| O5 | C13 | N3 | H22 | 179.3° | 176.9° |
| C14 | N3 | H22 | C13 | 180.0° | 180.0° |
| N3 | C14 | C15 | C19 | 126.1° | 120.0° |
| N3 | C14 | C15 | H23 | 117.9° | 120.0° |
| N3 | C14 | C19 | H23 | 120.2° | 120.1° |
| N3 | C14 | C15 | C16 | 65.3° | 66.3° |
| N3 | C14 | C15 | H24 | 55.2° | 53.7° |
| N3 | C14 | C15 | H25 | 174.2° | 173.7° |
| N3 | C14 | C19 | O7 | 54.9° | 0.0° |
| N3 | C14 | C19 | N5 | 126.4° | 180.0° |
| H22 | N3 | C14 | C15 | 57.1° | 77.1° |
| H22 | N3 | C14 | C19 | 65.8° | 42.9° |
| H22 | N3 | C14 | H23 | 174.4° | 162.9° |
| C15 | C14 | C19 | H23 | 116.0° | 119.9° |
| C14 | C15 | C16 | H24 | 120.5° | 120.0° |
| C14 | C15 | C16 | H25 | 120.5° | 120.0° |
| C14 | C15 | H24 | H25 | 118.4° | 120.1° |
| C14 | C15 | C16 | O6 | 13.7° | 1.7° |
| C14 | C15 | C16 | N4 | 166.8° | 178.3° |
| C15 | C14 | C19 | O7 | 68.9° | 120.1° |
| C15 | C14 | N3 | C13 | 122.9° | 102.9° |
| C15 | C14 | C19 | N5 | 109.8° | 60.0° |
| C19 | C14 | C15 | C16 | 168.6° | 173.7° |
| C19 | C14 | C15 | H24 | 70.9° | 66.3° |
| C19 | C14 | C15 | H25 | 48.1° | 53.7° |
| C14 | C19 | O7 | N5 | 178.6° | 179.9° |
| C14 | C19 | N5 | C20 | 179.8° | 180.0° |
| C14 | C19 | N5 | H32 | 0.2° | 0.1° |
| C19 | C14 | N3 | C13 | 114.2° | 137.2° |
| H23 | C14 | C15 | C16 | 52.6° | 53.7° |
| H23 | C14 | C15 | H24 | 173.1° | 173.8° |
| H23 | C14 | C15 | H25 | 67.9° | 66.2° |
| H23 | C14 | C19 | O7 | 175.1° | 120.0° |
| H23 | C14 | N3 | C13 | 5.5° | 17.1° |
| H23 | C14 | C19 | N5 | 6.2° | 59.9° |
| C16 | C15 | H24 | H25 | 118.4° | 119.9° |
| C15 | C16 | O6 | N4 | 179.6° | 180.0° |
| C15 | C16 | N4 | C17 | 1.2° | 180.0° |
| C15 | C16 | N4 | C18 | 178.2° | 0.0° |
| H24 | C15 | C16 | O6 | 134.2° | 121.7° |
| H24 | C15 | C16 | N4 | 46.2° | 58.3° |
| H25 | C15 | C16 | O6 | 106.9° | 118.3° |
| H25 | C15 | C16 | N4 | 72.7° | 61.7° |
| O6 | C16 | N4 | C17 | 179.2° | 0.0° |
| O6 | C16 | N4 | C18 | 1.4° | 180.0° |
| C16 | N4 | C17 | C18 | 179.4° | 180.0° |
| C16 | N4 | C17 | H26 | 180.0° | 90.1° |
| C16 | N4 | C17 | H27 | 60.0° | 150.0° |
| C16 | N4 | C17 | H28 | 60.0° | 30.0° |
| C16 | N4 | C18 | H29 | 180.0° | 60.0° |
| C16 | N4 | C18 | H30 | 60.0° | 180.0° |
| C16 | N4 | C18 | H31 | 60.0° | 60.0° |
| N4 | C17 | H26 | H27 | 120.0° | 120.0° |
| N4 | C17 | H26 | H28 | 120.0° | 120.0° |
| N4 | C17 | H27 | H28 | 120.0° | 120.0° |
| C17 | N4 | C18 | H29 | 0.5° | 120.0° |
| C17 | N4 | C18 | H30 | 119.5° | 0.1° |
| C17 | N4 | C18 | H31 | 120.6° | 120.0° |
| C18 | N4 | C17 | H26 | 0.6° | 89.9° |
| C18 | N4 | C17 | H27 | 120.5° | 30.0° |
| C18 | N4 | C17 | H28 | 119.4° | 150.0° |
| N4 | C18 | H29 | H30 | 120.0° | 120.0° |
| N4 | C18 | H29 | H31 | 120.0° | 120.0° |
| N4 | C18 | H30 | H31 | 120.0° | 120.1° |
| H26 | C17 | H27 | H28 | 120.0° | 120.0° |
| H29 | C18 | H30 | H31 | 120.0° | 120.0° |
| O7 | C19 | N5 | C20 | 1.1° | 0.0° |
| O7 | C19 | N5 | H32 | 178.9° | 180.0° |
| C20 | N5 | H32 | C19 | 180.0° | 180.0° |
| N5 | C20 | C21 | C22 | 122.0° | 120.0° |
| N5 | C20 | C21 | H33 | 120.0° | 120.0° |
| N5 | C20 | C22 | H33 | 119.1° | 120.0° |
| N5 | C20 | C21 | O8 | 154.4° | 15.0° |
| N5 | C20 | C22 | H34 | 180.0° | 60.0° |
| N5 | C20 | C22 | H35 | 60.0° | 180.0° |
| N5 | C20 | C22 | H36 | 60.0° | 60.0° |
| N5 | C20 | C21 | C23 | 85.0° | 165.0° |
| H32 | N5 | C20 | C21 | 72.6° | 25.0° |
| H32 | N5 | C20 | C22 | 49.6° | 95.0° |
| H32 | N5 | C20 | H33 | 168.2° | 145.0° |
| C21 | C20 | C22 | H33 | 117.7° | 120.0° |
| C20 | C21 | O8 | C23 | 122.0° | 180.0° |
| C21 | C20 | C22 | H34 | 56.9° | 60.0° |
| C21 | C20 | C22 | H35 | 176.9° | 60.0° |
| C21 | C20 | C22 | H36 | 63.1° | 180.0° |
| C20 | C21 | C23 | F1 | 62.5° | 120.0° |
| C20 | C21 | C23 | F2 | 179.1° | 0.0° |
| C20 | C21 | C23 | F3 | 57.8° | 120.0° |
| C21 | C20 | N5 | C19 | 107.4° | 155.0° |
| C22 | C20 | C21 | O8 | 32.5° | 105.0° |
| C20 | C22 | H34 | H35 | 120.0° | 120.0° |
| C20 | C22 | H34 | H36 | 120.0° | 120.0° |
| C20 | C22 | H35 | H36 | 120.0° | 120.0° |
| C22 | C20 | N5 | C19 | 130.4° | 85.0° |
| C22 | C20 | C21 | C23 | 153.0° | 75.0° |
| H33 | C20 | C21 | O8 | 85.5° | 134.9° |
| H33 | C20 | C22 | H34 | 60.8° | 180.0° |
| H33 | C20 | C22 | H35 | 59.1° | 60.0° |
| H33 | C20 | C22 | H36 | 179.1° | 60.0° |
| H33 | C20 | N5 | C19 | 11.8° | 35.0° |
| H33 | C20 | C21 | C23 | 35.0° | 45.0° |
| O8 | C21 | C23 | F1 | 57.2° | 59.9° |
| O8 | C21 | C23 | F2 | 59.4° | 179.9° |
| O8 | C21 | C23 | F3 | 177.5° | 60.0° |
| H34 | C22 | H35 | H36 | 120.0° | 119.9° |
| F1 | C23 | F2 | F3 | 114.3° | 120.0° |
| F1 | C23 | F2 | C21 | 118.3° | 119.9° |
| F1 | C23 | F3 | C21 | 120.7° | 119.9° |
| F2 | C23 | F3 | C21 | 126.4° | 120.0° |
