PRD_000423
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| 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 | 1.46Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| 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 | 1.46Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| 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 | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| 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 | |
| O6 | C15 | doub | 1.21Å | 1.46Å | |
| C15 | C20 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | O5 | doub | 1.21Å | 1.23Å | |
| C16 | N5 | sing | 1.35Å | 1.34Å | |
| C21 | C17 | sing | 1.53Å | 1.49Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.46Å | 1.45Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C18 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C19 | sing | 1.47Å | 1.46Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | F1 | sing | 1.40Å | 33.56Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C13 | N4 | sing | 1.35Å | 1.33Å | |
| C15 | C22 | sing | 1.51Å | 1.56Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.7° | 120.0° |
| O1 | C1 | N1 | 123.5° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | N1 | 115.9° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C3 | N1 | H4 | 118.7° | 120.0° |
| N1 | C3 | C4 | 111.9° | 109.5° |
| N1 | C3 | C5 | 110.5° | 109.5° |
| N1 | C3 | H5 | 109.0° | 109.4° |
| C3 | N1 | C1 | 122.7° | 120.0° |
| H4 | N1 | C1 | 118.7° | 120.0° |
| C4 | C3 | C5 | 108.8° | 109.5° |
| C4 | C3 | H5 | 108.3° | 109.5° |
| C3 | C4 | O2 | 120.6° | 120.0° |
| C3 | C4 | N2 | 116.1° | 120.0° |
| C5 | C3 | H5 | 108.2° | 109.5° |
| C3 | C5 | C6 | 120.4° | 109.5° |
| C3 | C5 | H6 | 106.7° | 109.5° |
| C3 | C5 | H7 | 106.7° | 109.4° |
| O2 | C4 | N2 | 123.3° | 120.0° |
| C6 | C5 | H6 | 106.7° | 109.5° |
| C6 | C5 | H7 | 106.7° | 109.5° |
| C5 | C6 | C7 | 109.3° | 109.5° |
| C5 | C6 | C8 | 110.6° | 109.5° |
| C5 | C6 | H8 | 108.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 111.2° | 109.5° |
| C7 | C6 | H8 | 108.6° | 109.4° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.4° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C8 | C6 | H8 | 108.6° | 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° | 109.5° |
| H9 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.4° |
| C9 | N2 | H15 | 118.8° | 120.0° |
| N2 | C9 | C10 | 110.3° | 109.4° |
| N2 | C9 | C11 | 110.8° | 109.4° |
| N2 | C9 | H16 | 109.0° | 109.5° |
| C9 | N2 | C4 | 122.3° | 120.0° |
| H15 | N2 | C4 | 118.8° | 120.0° |
| C10 | C9 | C11 | 110.3° | 109.5° |
| C10 | C9 | H16 | 108.2° | 109.5° |
| C9 | C10 | O3 | 120.8° | 120.0° |
| C9 | C10 | N3 | 116.3° | 120.0° |
| C11 | C9 | H16 | 108.2° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C9 | C11 | H18 | 109.4° | 109.4° |
| C9 | C11 | H19 | 109.5° | 109.5° |
| O3 | C10 | N3 | 122.9° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| C12 | N3 | H20 | 119.2° | 119.9° |
| N3 | C12 | C13 | 109.2° | 109.5° |
| N3 | C12 | C14 | 110.7° | 109.5° |
| N3 | C12 | H21 | 109.3° | 109.4° |
| C12 | N3 | C10 | 121.6° | 120.0° |
| H20 | N3 | C10 | 119.2° | 120.1° |
| C13 | C12 | C14 | 110.6° | 109.5° |
| C13 | C12 | H21 | 108.5° | 109.5° |
| C12 | C13 | O4 | 121.2° | 120.0° |
| C12 | C13 | N4 | 115.5° | 120.0° |
| C14 | C12 | H21 | 108.4° | 109.5° |
| C12 | C14 | H22 | 109.5° | 109.5° |
| C12 | C14 | H23 | 109.4° | 109.5° |
| C12 | C14 | H24 | 109.4° | 109.5° |
| O4 | C13 | N4 | 123.3° | 120.0° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| O6 | C15 | C20 | 120.5° | 120.0° |
| O6 | C15 | C22 | 106.0° | 120.0° |
| C15 | C20 | N4 | 107.7° | 109.5° |
| C15 | C20 | C21 | 109.2° | 109.5° |
| C15 | C20 | H34 | 109.7° | 109.4° |
| C20 | C15 | C22 | 127.2° | 120.0° |
| C17 | C16 | O5 | 120.6° | 120.0° |
| C17 | C16 | N5 | 115.7° | 120.0° |
| C16 | C17 | C21 | 108.5° | 109.5° |
| C16 | C17 | H25 | 109.7° | 109.5° |
| C16 | C17 | H26 | 109.7° | 109.5° |
| O5 | C16 | N5 | 123.7° | 120.0° |
| C16 | N5 | C18 | 123.6° | 120.0° |
| C16 | N5 | C19 | 123.2° | 120.0° |
| C21 | C17 | H25 | 109.7° | 109.4° |
| C21 | C17 | H26 | 109.7° | 109.5° |
| C17 | C21 | C20 | 104.6° | 109.5° |
| C17 | C21 | H35 | 110.7° | 109.4° |
| C17 | C21 | H36 | 110.7° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| C20 | N4 | H27 | 119.0° | 120.0° |
| N4 | C20 | C21 | 110.1° | 109.5° |
| N4 | C20 | H34 | 110.5° | 109.4° |
| C20 | N4 | C13 | 122.0° | 120.0° |
| H27 | N4 | C13 | 119.0° | 120.0° |
| C18 | N5 | C19 | 113.2° | 119.9° |
| N5 | C18 | H28 | 109.5° | 109.4° |
| N5 | C18 | H29 | 109.5° | 109.5° |
| N5 | C18 | H30 | 109.5° | 109.4° |
| N5 | C19 | H31 | 109.5° | 109.4° |
| N5 | C19 | H32 | 109.5° | 109.5° |
| N5 | C19 | H33 | 109.4° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H30 | 109.4° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H31 | C19 | H33 | 109.4° | 109.4° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| C21 | C20 | H34 | 109.5° | 109.5° |
| C20 | C21 | H35 | 110.7° | 109.5° |
| C20 | C21 | H36 | 110.7° | 109.5° |
| H35 | C21 | H36 | 109.4° | 109.5° |
| F1 | C22 | H37 | 95.1° | 109.4° |
| F1 | C22 | H38 | 95.1° | 109.4° |
| F1 | C22 | C15 | 162.4° | 109.4° |
| H37 | C22 | H38 | 109.4° | 109.5° |
| H37 | C22 | C15 | 95.1° | 109.5° |
| H38 | C22 | C15 | 95.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.8° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 1.3° | 5.1° |
| O1 | C1 | N1 | H4 | 178.7° | 175.0° |
| 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 | 178.9° | 174.7° |
| C2 | C1 | N1 | H4 | 1.1° | 5.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.8° | 179.8° |
| H2 | C2 | C1 | N1 | 59.8° | 59.7° |
| H3 | C2 | C1 | N1 | 60.2° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 122.4° | 120.0° |
| N1 | C3 | C4 | H5 | 120.2° | 120.0° |
| N1 | C3 | C5 | H5 | 119.3° | 119.9° |
| N1 | C3 | C4 | O2 | 42.5° | 13.5° |
| N1 | C3 | C5 | C6 | 59.8° | 173.9° |
| N1 | C3 | C5 | H6 | 61.8° | 53.9° |
| N1 | C3 | C5 | H7 | 178.7° | 66.1° |
| N1 | C3 | C4 | N2 | 137.9° | 166.4° |
| H4 | N1 | C3 | C4 | 93.6° | 28.4° |
| H4 | N1 | C3 | C5 | 27.8° | 91.6° |
| H4 | N1 | C3 | H5 | 146.6° | 148.5° |
| C4 | C3 | C5 | H5 | 117.4° | 120.1° |
| C3 | C4 | O2 | N2 | 179.5° | 179.9° |
| C4 | C3 | C5 | C6 | 177.0° | 66.0° |
| C4 | C3 | C5 | H6 | 61.4° | 173.9° |
| C4 | C3 | C5 | H7 | 55.5° | 53.9° |
| C3 | C4 | N2 | C9 | 174.6° | 175.0° |
| C3 | C4 | N2 | H15 | 5.4° | 5.1° |
| C4 | C3 | N1 | C1 | 86.4° | 151.5° |
| C5 | C3 | C4 | O2 | 79.8° | 106.5° |
| C3 | C5 | C6 | H6 | 121.6° | 120.0° |
| C3 | C5 | C6 | H7 | 121.5° | 120.0° |
| C3 | C5 | H6 | H7 | 115.0° | 120.0° |
| C3 | C5 | C6 | C7 | 166.5° | 66.3° |
| C3 | C5 | C6 | C8 | 70.7° | 173.7° |
| C3 | C5 | C6 | H8 | 48.3° | 53.7° |
| C5 | C3 | N1 | C1 | 152.2° | 88.5° |
| C5 | C3 | C4 | N2 | 99.7° | 73.6° |
| H5 | C3 | C4 | O2 | 162.8° | 133.5° |
| H5 | C3 | C5 | C6 | 59.6° | 54.0° |
| H5 | C3 | C5 | H6 | 178.9° | 66.0° |
| H5 | C3 | C5 | H7 | 62.0° | 174.0° |
| H5 | C3 | N1 | C1 | 33.4° | 31.4° |
| H5 | C3 | C4 | N2 | 17.7° | 46.4° |
| O2 | C4 | N2 | C9 | 4.9° | 4.9° |
| O2 | C4 | N2 | H15 | 175.1° | 175.0° |
| C6 | C5 | H6 | H7 | 115.0° | 120.0° |
| C5 | C6 | C7 | C8 | 122.4° | 120.0° |
| C5 | C6 | C7 | H8 | 118.2° | 120.0° |
| C5 | C6 | C8 | H8 | 119.0° | 120.0° |
| C5 | C6 | C7 | H9 | 180.0° | 175.8° |
| C5 | C6 | C7 | H10 | 60.0° | 55.8° |
| C5 | C6 | C7 | H11 | 60.0° | 64.2° |
| C5 | C6 | C8 | H12 | 180.0° | 60.0° |
| C5 | C6 | C8 | H13 | 60.0° | 180.0° |
| C5 | C6 | C8 | H14 | 60.0° | 60.0° |
| H6 | C5 | C6 | C7 | 45.0° | 53.7° |
| H6 | C5 | C6 | C8 | 167.7° | 66.3° |
| H6 | C5 | C6 | H8 | 73.3° | 173.7° |
| H7 | C5 | C6 | C7 | 71.9° | 173.7° |
| H7 | C5 | C6 | C8 | 50.8° | 53.7° |
| H7 | C5 | C6 | H8 | 169.8° | 66.3° |
| C7 | C6 | C8 | H8 | 119.4° | 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 | 58.4° | 180.0° |
| C7 | C6 | C8 | H13 | 61.6° | 60.0° |
| C7 | C6 | C8 | H14 | 178.4° | 59.9° |
| C8 | C6 | C7 | H9 | 57.6° | 64.2° |
| C8 | C6 | C7 | H10 | 177.6° | 175.8° |
| C8 | C6 | C7 | H11 | 62.4° | 55.8° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.1° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 61.8° | 55.9° |
| H8 | C6 | C7 | H10 | 58.2° | 64.1° |
| H8 | C6 | C7 | H11 | 178.2° | 175.9° |
| H8 | C6 | C8 | H12 | 61.0° | 60.0° |
| H8 | C6 | C8 | H13 | 179.0° | 60.0° |
| H8 | C6 | C8 | H14 | 59.0° | 180.0° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C4 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 122.7° | 119.9° |
| N2 | C9 | C10 | H16 | 119.1° | 120.0° |
| N2 | C9 | C11 | H16 | 119.5° | 120.0° |
| N2 | C9 | C10 | O3 | 39.1° | 0.0° |
| N2 | C9 | C11 | H17 | 180.0° | 60.1° |
| N2 | C9 | C11 | H18 | 60.0° | 179.9° |
| N2 | C9 | C11 | H19 | 60.0° | 60.0° |
| N2 | C9 | C10 | N3 | 140.7° | 180.0° |
| H15 | N2 | C9 | C10 | 58.3° | 25.0° |
| H15 | N2 | C9 | C11 | 64.1° | 95.0° |
| H15 | N2 | C9 | H16 | 176.9° | 145.0° |
| C10 | C9 | C11 | H16 | 118.1° | 120.0° |
| C9 | C10 | O3 | N3 | 179.9° | 180.0° |
| C10 | C9 | C11 | H17 | 57.6° | 59.9° |
| C10 | C9 | C11 | H18 | 177.6° | 60.0° |
| C10 | C9 | C11 | H19 | 62.4° | 180.0° |
| C9 | C10 | N3 | C12 | 173.3° | 180.0° |
| C9 | C10 | N3 | H20 | 6.7° | 0.0° |
| C10 | C9 | N2 | C4 | 121.7° | 155.0° |
| C11 | C9 | C10 | O3 | 83.6° | 120.0° |
| C9 | C11 | H17 | H18 | 120.0° | 119.9° |
| C9 | C11 | H17 | H19 | 120.0° | 120.0° |
| C9 | C11 | H18 | H19 | 120.0° | 120.0° |
| C11 | C9 | N2 | C4 | 115.9° | 85.1° |
| C11 | C9 | C10 | N3 | 96.6° | 60.1° |
| H16 | C9 | C10 | O3 | 158.3° | 120.0° |
| H16 | C9 | C11 | H17 | 60.5° | 179.9° |
| H16 | C9 | C11 | H18 | 59.5° | 60.1° |
| H16 | C9 | C11 | H19 | 179.5° | 60.0° |
| H16 | C9 | N2 | C4 | 3.1° | 35.0° |
| H16 | C9 | C10 | N3 | 21.6° | 60.0° |
| O3 | C10 | N3 | C12 | 6.8° | 0.0° |
| O3 | C10 | N3 | H20 | 173.2° | 180.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.1° |
| C12 | N3 | H20 | C10 | 180.0° | 180.0° |
| N3 | C12 | C13 | C14 | 122.1° | 120.0° |
| N3 | C12 | C13 | H21 | 119.1° | 120.0° |
| N3 | C12 | C14 | H21 | 119.9° | 120.0° |
| N3 | C12 | C13 | O4 | 56.9° | 0.0° |
| N3 | C12 | C14 | H22 | 180.0° | 180.0° |
| N3 | C12 | C14 | H23 | 60.0° | 60.0° |
| N3 | C12 | C14 | H24 | 60.0° | 60.0° |
| N3 | C12 | C13 | N4 | 121.4° | 180.0° |
| H20 | N3 | C12 | C13 | 125.9° | 25.0° |
| H20 | N3 | C12 | C14 | 3.9° | 95.0° |
| H20 | N3 | C12 | H21 | 115.5° | 145.0° |
| C13 | C12 | C14 | H21 | 118.9° | 120.0° |
| C12 | C13 | O4 | N4 | 178.2° | 180.0° |
| C13 | C12 | C14 | H22 | 58.8° | 60.0° |
| C13 | C12 | C14 | H23 | 178.8° | 180.0° |
| C13 | C12 | C14 | H24 | 61.2° | 60.0° |
| C12 | C13 | N4 | C20 | 178.7° | 180.0° |
| C12 | C13 | N4 | H27 | 1.3° | 0.0° |
| C13 | C12 | N3 | C10 | 54.1° | 155.0° |
| C14 | C12 | C13 | O4 | 65.2° | 120.0° |
| C12 | C14 | H22 | H23 | 120.0° | 120.0° |
| C12 | C14 | H22 | H24 | 120.0° | 120.0° |
| C12 | C14 | H23 | H24 | 120.0° | 120.1° |
| C14 | C12 | C13 | N4 | 116.5° | 60.0° |
| C14 | C12 | N3 | C10 | 176.1° | 85.0° |
| H21 | C12 | C13 | O4 | 176.0° | 120.0° |
| H21 | C12 | C14 | H22 | 60.1° | 60.0° |
| H21 | C12 | C14 | H23 | 59.9° | 60.0° |
| H21 | C12 | C14 | H24 | 179.9° | 180.0° |
| H21 | C12 | C13 | N4 | 2.3° | 60.0° |
| H21 | C12 | N3 | C10 | 64.5° | 35.0° |
| O4 | C13 | N4 | C20 | 3.0° | 0.0° |
| O4 | C13 | N4 | H27 | 177.0° | 180.0° |
| H22 | C14 | H23 | H24 | 120.0° | 119.9° |
| O6 | C15 | C20 | C22 | 148.1° | 180.0° |
| O6 | C15 | C20 | N4 | 177.7° | 15.0° |
| O6 | C15 | C20 | C21 | 62.7° | 105.0° |
| O6 | C15 | C20 | H34 | 57.4° | 135.0° |
| O6 | C15 | C22 | F1 | 20.2° | 0.0° |
| O6 | C15 | C22 | H37 | 145.2° | 119.9° |
| O6 | C15 | C22 | H38 | 104.8° | 120.0° |
| C15 | C20 | C21 | C17 | 138.7° | 175.0° |
| C15 | C20 | N4 | C21 | 118.9° | 120.0° |
| C15 | C20 | N4 | H34 | 119.9° | 119.9° |
| C15 | C20 | N4 | H27 | 72.2° | 95.0° |
| C15 | C20 | C21 | H34 | 120.2° | 120.0° |
| C15 | C20 | C21 | H35 | 19.4° | 55.0° |
| C15 | C20 | C21 | H36 | 102.1° | 65.0° |
| C20 | C15 | C22 | F1 | 131.5° | 180.0° |
| C20 | C15 | C22 | H37 | 6.5° | 60.1° |
| C20 | C15 | C22 | H38 | 103.5° | 60.0° |
| C15 | C20 | N4 | C13 | 107.8° | 85.0° |
| C17 | C16 | O5 | N5 | 179.9° | 180.0° |
| C16 | C17 | C21 | H25 | 119.9° | 120.0° |
| C16 | C17 | C21 | H26 | 119.8° | 120.0° |
| C16 | C17 | H25 | H26 | 120.4° | 120.0° |
| C17 | C16 | N5 | C18 | 0.0° | 0.0° |
| C17 | C16 | N5 | C19 | 179.9° | 180.0° |
| C16 | C17 | C21 | C20 | 166.5° | 180.0° |
| C16 | C17 | C21 | H35 | 74.3° | 60.0° |
| C16 | C17 | C21 | H36 | 47.2° | 60.0° |
| O5 | C16 | C17 | C21 | 16.6° | 0.0° |
| O5 | C16 | C17 | H25 | 136.5° | 120.0° |
| O5 | C16 | C17 | H26 | 103.2° | 120.0° |
| O5 | C16 | N5 | C18 | 179.9° | 180.0° |
| O5 | C16 | N5 | C19 | 0.1° | 0.0° |
| N5 | C16 | C17 | C21 | 163.3° | 180.0° |
| N5 | C16 | C17 | H25 | 43.4° | 60.0° |
| N5 | C16 | C17 | H26 | 76.8° | 60.0° |
| C16 | N5 | C18 | C19 | 179.9° | 180.0° |
| C16 | N5 | C18 | H28 | 180.0° | 90.0° |
| C16 | N5 | C18 | H29 | 60.0° | 149.9° |
| C16 | N5 | C18 | H30 | 60.0° | 30.0° |
| C16 | N5 | C19 | H31 | 180.0° | 0.0° |
| C16 | N5 | C19 | H32 | 60.0° | 120.0° |
| C16 | N5 | C19 | H33 | 60.0° | 120.0° |
| C21 | C17 | H25 | H26 | 120.5° | 120.0° |
| C17 | C21 | C20 | N4 | 103.3° | 65.0° |
| C17 | C21 | C20 | H35 | 119.3° | 120.0° |
| C17 | C21 | C20 | H36 | 119.2° | 120.0° |
| C17 | C21 | C20 | H34 | 18.5° | 55.0° |
| C17 | C21 | H35 | H36 | 122.3° | 120.0° |
| H25 | C17 | C21 | C20 | 46.6° | 60.0° |
| H25 | C17 | C21 | H35 | 165.8° | 180.0° |
| H25 | C17 | C21 | H36 | 72.6° | 60.1° |
| H26 | C17 | C21 | C20 | 73.7° | 60.0° |
| H26 | C17 | C21 | H35 | 45.5° | 60.1° |
| H26 | C17 | C21 | H36 | 167.1° | 180.0° |
| C20 | N4 | H27 | C13 | 180.0° | 180.0° |
| N4 | C20 | C21 | H34 | 121.8° | 120.0° |
| N4 | C20 | C21 | H35 | 137.4° | 175.0° |
| N4 | C20 | C21 | H36 | 16.0° | 55.0° |
| N4 | C20 | C15 | C22 | 29.7° | 165.0° |
| H27 | N4 | C20 | C21 | 46.8° | 25.0° |
| H27 | N4 | C20 | H34 | 168.0° | 145.0° |
| N5 | C18 | H28 | H29 | 120.0° | 120.0° |
| N5 | C18 | H28 | H30 | 120.0° | 119.9° |
| N5 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | N5 | C19 | H31 | 0.1° | 180.0° |
| C18 | N5 | C19 | H32 | 119.9° | 60.0° |
| C18 | N5 | C19 | H33 | 120.1° | 60.1° |
| C19 | N5 | C18 | H28 | 0.1° | 90.0° |
| C19 | N5 | C18 | H29 | 120.1° | 30.0° |
| C19 | N5 | C18 | H30 | 119.9° | 150.0° |
| N5 | C19 | H31 | H32 | 120.0° | 120.0° |
| N5 | C19 | H31 | H33 | 120.0° | 120.0° |
| N5 | C19 | H32 | H33 | 120.0° | 120.0° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| H31 | C19 | H32 | H33 | 120.0° | 120.0° |
| C20 | C21 | H35 | H36 | 122.2° | 120.0° |
| C21 | C20 | N4 | C13 | 133.2° | 155.0° |
| C21 | C20 | C15 | C22 | 149.2° | 75.0° |
| H34 | C20 | C21 | H35 | 100.8° | 65.0° |
| H34 | C20 | C21 | H36 | 137.7° | 175.0° |
| H34 | C20 | N4 | C13 | 12.0° | 35.0° |
| H34 | C20 | C15 | C22 | 90.7° | 45.0° |
| F1 | C22 | H37 | H38 | 97.2° | 120.0° |
| F1 | C22 | H37 | C15 | 165.6° | 120.0° |
| F1 | C22 | H38 | C15 | 165.6° | 120.0° |
| H37 | C22 | H38 | C15 | 97.2° | 120.1° |
