PRD_000929
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 | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| 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 | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| 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 | 1.47Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.25Å | |
| C12 | O5 | sing | 1.34Å | 1.25Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | O6 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | O7 | sing | 1.43Å | 1.24Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å | |
| O7 | H34 | sing | 0.97Å | 0.95Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | O9 | doub | 1.21Å | 1.25Å | |
| C22 | O8 | sing | 1.34Å | 1.24Å | |
| O8 | H38 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| C14 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.3° | 120.0° |
| O1 | C1 | N1 | 123.0° | 120.1° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 115.6° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.2° | 120.0° |
| N1 | C3 | C4 | 110.3° | 109.5° |
| N1 | C3 | C5 | 111.9° | 109.5° |
| N1 | C3 | H5 | 109.3° | 109.5° |
| C3 | N1 | C1 | 123.5° | 120.0° |
| H4 | N1 | C1 | 118.3° | 120.0° |
| C4 | C3 | C5 | 108.3° | 109.5° |
| C4 | C3 | H5 | 108.6° | 109.4° |
| C3 | C4 | O2 | 120.5° | 119.9° |
| C3 | C4 | N2 | 116.2° | 120.0° |
| C5 | C3 | H5 | 108.4° | 109.4° |
| C3 | C5 | C6 | 110.1° | 109.5° |
| C3 | C5 | C7 | 110.7° | 109.5° |
| C3 | C5 | H6 | 108.2° | 109.5° |
| O2 | C4 | N2 | 123.3° | 120.0° |
| C6 | C5 | C7 | 110.9° | 109.4° |
| C6 | C5 | H6 | 108.3° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.4° |
| C7 | C5 | H6 | 108.5° | 109.4° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.5° | 109.6° |
| H7 | C6 | H9 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N2 | H13 | 118.9° | 119.9° |
| N2 | C8 | C9 | 111.3° | 109.5° |
| N2 | C8 | C10 | 110.4° | 109.4° |
| N2 | C8 | H14 | 108.7° | 109.5° |
| C8 | N2 | C4 | 122.2° | 120.0° |
| H13 | N2 | C4 | 118.9° | 120.1° |
| C9 | C8 | C10 | 110.7° | 109.5° |
| C9 | C8 | H14 | 107.9° | 109.5° |
| C8 | C9 | O3 | 121.2° | 120.0° |
| C8 | C9 | N3 | 114.8° | 120.0° |
| C10 | C8 | H14 | 107.8° | 109.5° |
| C8 | C10 | C11 | 112.1° | 109.5° |
| C8 | C10 | H15 | 108.8° | 109.5° |
| C8 | C10 | H16 | 108.8° | 109.5° |
| O3 | C9 | N3 | 124.0° | 120.0° |
| C11 | C10 | H15 | 108.8° | 109.4° |
| C11 | C10 | H16 | 108.8° | 109.4° |
| C10 | C11 | C12 | 113.9° | 109.5° |
| C10 | C11 | H17 | 108.4° | 109.5° |
| C10 | C11 | H18 | 108.4° | 109.4° |
| H15 | C10 | H16 | 109.4° | 109.5° |
| C12 | C11 | H17 | 108.3° | 109.5° |
| C12 | C11 | H18 | 108.3° | 109.5° |
| C11 | C12 | O4 | 119.4° | 120.0° |
| C11 | C12 | O5 | 117.6° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| O4 | C12 | O5 | 122.9° | 120.0° |
| C12 | O5 | H19 | 109.5° | 117.0° |
| C13 | N3 | H20 | 118.3° | 120.0° |
| N3 | C13 | C14 | 109.9° | 109.5° |
| N3 | C13 | C15 | 109.8° | 109.5° |
| N3 | C13 | H21 | 109.8° | 109.5° |
| C13 | N3 | C9 | 123.4° | 120.0° |
| H20 | N3 | C9 | 118.2° | 120.0° |
| C14 | C13 | C15 | 109.8° | 109.5° |
| C14 | C13 | H21 | 108.9° | 109.5° |
| C13 | C14 | O6 | 120.3° | 120.0° |
| C13 | C14 | N4 | 117.1° | 120.0° |
| C15 | C13 | H21 | 108.6° | 109.5° |
| C13 | C15 | C16 | 110.6° | 109.5° |
| C13 | C15 | C17 | 111.1° | 109.4° |
| C13 | C15 | H22 | 108.0° | 109.5° |
| O6 | C14 | N4 | 122.6° | 120.0° |
| C16 | C15 | C17 | 110.6° | 109.5° |
| C16 | C15 | H22 | 108.2° | 109.5° |
| C15 | C16 | C18 | 114.2° | 109.4° |
| C15 | C16 | H23 | 108.3° | 109.5° |
| C15 | C16 | H24 | 108.3° | 109.5° |
| C17 | C15 | H22 | 108.3° | 109.5° |
| C15 | C17 | H25 | 109.5° | 109.4° |
| C15 | C17 | H26 | 109.5° | 109.4° |
| C15 | C17 | H27 | 109.5° | 109.5° |
| C18 | C16 | H23 | 108.3° | 109.4° |
| C18 | C16 | H24 | 108.3° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.4° |
| C16 | C18 | H29 | 109.5° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.4° | 109.5° |
| H25 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H30 | 109.4° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| O7 | C19 | C20 | 120.9° | 109.5° |
| O7 | C19 | H31 | 106.5° | 109.5° |
| O7 | C19 | H32 | 106.5° | 109.5° |
| C19 | O7 | H34 | 109.5° | 114.1° |
| C20 | C19 | H31 | 106.5° | 109.5° |
| C20 | C19 | H32 | 106.5° | 109.5° |
| C19 | C20 | N4 | 113.4° | 109.5° |
| C19 | C20 | C21 | 109.6° | 109.5° |
| C19 | C20 | H35 | 107.5° | 109.5° |
| H31 | C19 | H32 | 109.4° | 109.4° |
| C20 | N4 | H33 | 118.9° | 120.0° |
| N4 | C20 | C21 | 110.6° | 109.5° |
| N4 | C20 | H35 | 108.2° | 109.5° |
| C20 | N4 | C14 | 122.1° | 120.0° |
| H33 | N4 | C14 | 119.0° | 120.0° |
| C21 | C20 | H35 | 107.4° | 109.4° |
| C20 | C21 | C22 | 112.3° | 109.5° |
| C20 | C21 | H36 | 108.8° | 109.5° |
| C20 | C21 | H37 | 108.7° | 109.5° |
| C22 | C21 | H36 | 108.7° | 109.5° |
| C22 | C21 | H37 | 108.7° | 109.4° |
| C21 | C22 | O9 | 118.7° | 120.0° |
| C21 | C22 | O8 | 118.1° | 120.0° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| O9 | C22 | O8 | 123.2° | 120.0° |
| C22 | O8 | H38 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 168.5° | 179.7° |
| 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 | 1.8° | 0.1° |
| O1 | C1 | N1 | H4 | 178.2° | 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 | 169.9° | 179.8° |
| C2 | C1 | N1 | H4 | 10.1° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 168.5° | 89.7° |
| H2 | C2 | C1 | N1 | 71.5° | 30.3° |
| H3 | C2 | C1 | N1 | 48.5° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 122.8° | 120.1° |
| N1 | C3 | C4 | H5 | 119.8° | 120.0° |
| N1 | C3 | C5 | H5 | 120.6° | 120.0° |
| N1 | C3 | C4 | O2 | 49.3° | 11.3° |
| N1 | C3 | C5 | C6 | 173.4° | 64.3° |
| N1 | C3 | C5 | C7 | 50.4° | 55.7° |
| N1 | C3 | C5 | H6 | 68.3° | 175.7° |
| N1 | C3 | C4 | N2 | 130.8° | 168.8° |
| H4 | N1 | C3 | C4 | 70.9° | 25.0° |
| H4 | N1 | C3 | C5 | 49.7° | 95.0° |
| H4 | N1 | C3 | H5 | 169.8° | 145.0° |
| C4 | C3 | C5 | H5 | 117.6° | 119.9° |
| C3 | C4 | O2 | N2 | 179.9° | 180.0° |
| C4 | C3 | C5 | C6 | 64.8° | 175.7° |
| C4 | C3 | C5 | C7 | 172.2° | 64.3° |
| C4 | C3 | C5 | H6 | 53.4° | 55.6° |
| C3 | C4 | N2 | C8 | 178.9° | 175.1° |
| C3 | C4 | N2 | H13 | 1.1° | 4.9° |
| C4 | C3 | N1 | C1 | 109.0° | 155.0° |
| C5 | C3 | C4 | O2 | 73.5° | 108.8° |
| C3 | C5 | C6 | C7 | 122.9° | 120.0° |
| C3 | C5 | C6 | H6 | 118.2° | 120.0° |
| C3 | C5 | C7 | H6 | 118.6° | 120.0° |
| C3 | C5 | C6 | H7 | 180.0° | 59.8° |
| C3 | C5 | C6 | H8 | 60.0° | 179.9° |
| C3 | C5 | C6 | H9 | 60.0° | 60.2° |
| C3 | C5 | C7 | H10 | 180.0° | 59.9° |
| C3 | C5 | C7 | H11 | 60.0° | 180.0° |
| C3 | C5 | C7 | H12 | 60.0° | 60.0° |
| C5 | C3 | N1 | C1 | 130.4° | 84.9° |
| C5 | C3 | C4 | N2 | 106.4° | 71.2° |
| H5 | C3 | C4 | O2 | 169.0° | 131.3° |
| H5 | C3 | C5 | C6 | 52.8° | 55.8° |
| H5 | C3 | C5 | C7 | 70.2° | 175.7° |
| H5 | C3 | C5 | H6 | 171.0° | 64.3° |
| H5 | C3 | N1 | C1 | 10.3° | 35.1° |
| H5 | C3 | C4 | N2 | 11.1° | 48.8° |
| O2 | C4 | N2 | C8 | 1.2° | 5.0° |
| O2 | C4 | N2 | H13 | 178.8° | 175.1° |
| C6 | C5 | C7 | H6 | 118.8° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.1° |
| C5 | C6 | H7 | H9 | 120.0° | 119.9° |
| C5 | C6 | H8 | H9 | 120.0° | 119.9° |
| C6 | C5 | C7 | H10 | 57.5° | 179.9° |
| C6 | C5 | C7 | H11 | 62.6° | 60.0° |
| C6 | C5 | C7 | H12 | 177.4° | 60.1° |
| C7 | C5 | C6 | H7 | 57.1° | 60.2° |
| C7 | C5 | C6 | H8 | 177.1° | 59.9° |
| C7 | C5 | C6 | H9 | 62.9° | 179.8° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H12 | 120.0° | 119.9° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 61.8° | 179.8° |
| H6 | C5 | C6 | H8 | 58.2° | 60.1° |
| H6 | C5 | C6 | H9 | 178.2° | 59.9° |
| H6 | C5 | C7 | H10 | 61.4° | 60.1° |
| H6 | C5 | C7 | H11 | 178.6° | 60.0° |
| H6 | C5 | C7 | H12 | 58.6° | 180.0° |
| H7 | C6 | H8 | H9 | 120.0° | 120.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| C8 | N2 | H13 | C4 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 123.1° | 120.0° |
| N2 | C8 | C9 | H14 | 119.2° | 120.0° |
| N2 | C8 | C10 | H14 | 118.6° | 120.0° |
| N2 | C8 | C9 | O3 | 20.5° | 0.0° |
| N2 | C8 | C10 | C11 | 59.3° | 65.0° |
| N2 | C8 | C10 | H15 | 61.1° | 54.9° |
| N2 | C8 | C10 | H16 | 179.7° | 175.0° |
| N2 | C8 | C9 | N3 | 159.5° | 180.0° |
| H13 | N2 | C8 | C9 | 55.5° | 25.0° |
| H13 | N2 | C8 | C10 | 67.9° | 95.0° |
| H13 | N2 | C8 | H14 | 174.1° | 145.0° |
| C9 | C8 | C10 | H14 | 117.8° | 120.0° |
| C8 | C9 | O3 | N3 | 180.0° | 180.0° |
| C9 | C8 | C10 | C11 | 177.1° | 175.0° |
| C9 | C8 | C10 | H15 | 62.5° | 65.0° |
| C9 | C8 | C10 | H16 | 56.7° | 55.1° |
| C8 | C9 | N3 | C13 | 177.1° | 174.7° |
| C8 | C9 | N3 | H20 | 2.8° | 5.3° |
| C9 | C8 | N2 | C4 | 124.6° | 155.0° |
| C10 | C8 | C9 | O3 | 102.6° | 120.0° |
| C8 | C10 | C11 | H15 | 120.4° | 120.0° |
| C8 | C10 | C11 | H16 | 120.4° | 120.0° |
| C8 | C10 | H15 | H16 | 118.8° | 120.0° |
| C8 | C10 | C11 | C12 | 171.2° | 180.0° |
| C8 | C10 | C11 | H17 | 50.5° | 60.0° |
| C8 | C10 | C11 | H18 | 68.2° | 60.0° |
| C10 | C8 | N2 | C4 | 112.1° | 85.0° |
| C10 | C8 | C9 | N3 | 77.4° | 60.0° |
| H14 | C8 | C9 | O3 | 139.7° | 120.0° |
| H14 | C8 | C10 | C11 | 59.3° | 55.0° |
| H14 | C8 | C10 | H15 | 179.8° | 174.9° |
| H14 | C8 | C10 | H16 | 61.1° | 65.0° |
| H14 | C8 | N2 | C4 | 5.9° | 35.0° |
| H14 | C8 | C9 | N3 | 40.3° | 60.0° |
| O3 | C9 | N3 | C13 | 2.9° | 5.3° |
| O3 | C9 | N3 | H20 | 177.1° | 174.7° |
| C11 | C10 | H15 | H16 | 118.8° | 120.0° |
| C10 | C11 | C12 | H17 | 120.7° | 120.0° |
| C10 | C11 | C12 | H18 | 120.6° | 120.0° |
| C10 | C11 | H17 | H18 | 118.0° | 119.9° |
| C10 | C11 | C12 | O4 | 30.1° | 0.0° |
| C10 | C11 | C12 | O5 | 150.8° | 180.0° |
| H15 | C10 | C11 | C12 | 68.4° | 60.0° |
| H15 | C10 | C11 | H17 | 170.9° | 180.0° |
| H15 | C10 | C11 | H18 | 52.2° | 60.1° |
| H16 | C10 | C11 | C12 | 50.8° | 60.0° |
| H16 | C10 | C11 | H17 | 69.9° | 60.0° |
| H16 | C10 | C11 | H18 | 171.4° | 179.9° |
| C12 | C11 | H17 | H18 | 118.0° | 120.0° |
| C11 | C12 | O4 | O5 | 179.1° | 180.0° |
| C11 | C12 | O5 | H19 | 179.1° | 180.0° |
| H17 | C11 | C12 | O4 | 150.8° | 120.0° |
| H17 | C11 | C12 | O5 | 30.1° | 60.0° |
| H18 | C11 | C12 | O4 | 90.6° | 120.0° |
| H18 | C11 | C12 | O5 | 88.6° | 60.0° |
| O4 | C12 | O5 | H19 | 0.0° | 0.0° |
| C13 | N3 | H20 | C9 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 120.9° | 120.0° |
| N3 | C13 | C14 | H21 | 120.4° | 120.0° |
| N3 | C13 | C15 | H21 | 120.1° | 120.0° |
| N3 | C13 | C14 | O6 | 48.1° | 4.0° |
| N3 | C13 | C15 | C16 | 58.4° | 53.7° |
| N3 | C13 | C15 | C17 | 178.5° | 66.3° |
| N3 | C13 | C15 | H22 | 59.8° | 173.7° |
| N3 | C13 | C14 | N4 | 132.0° | 176.0° |
| H20 | N3 | C13 | C14 | 83.0° | 33.0° |
| H20 | N3 | C13 | C15 | 37.8° | 87.0° |
| H20 | N3 | C13 | H21 | 157.2° | 153.0° |
| C14 | C13 | C15 | H21 | 118.9° | 120.0° |
| C13 | C14 | O6 | N4 | 179.9° | 180.0° |
| C14 | C13 | C15 | C16 | 179.3° | 66.3° |
| C14 | C13 | C15 | C17 | 57.5° | 173.7° |
| C14 | C13 | C15 | H22 | 61.2° | 53.7° |
| C13 | C14 | N4 | C20 | 178.1° | 174.9° |
| C13 | C14 | N4 | H33 | 1.9° | 5.1° |
| C14 | C13 | N3 | C9 | 97.0° | 147.1° |
| C15 | C13 | C14 | O6 | 72.8° | 116.0° |
| C13 | C15 | C16 | C17 | 123.5° | 120.0° |
| C13 | C15 | C16 | H22 | 118.1° | 120.0° |
| C13 | C15 | C17 | H22 | 118.5° | 120.0° |
| C13 | C15 | C16 | C18 | 58.7° | 68.2° |
| C13 | C15 | C16 | H23 | 61.9° | 171.9° |
| C13 | C15 | C16 | H24 | 179.4° | 51.8° |
| C13 | C15 | C17 | H25 | 180.0° | 65.7° |
| C13 | C15 | C17 | H26 | 60.0° | 174.3° |
| C13 | C15 | C17 | H27 | 60.0° | 54.3° |
| C15 | C13 | N3 | C9 | 142.2° | 92.9° |
| C15 | C13 | C14 | N4 | 107.1° | 64.0° |
| H21 | C13 | C14 | O6 | 168.5° | 124.0° |
| H21 | C13 | C15 | C16 | 61.7° | 173.7° |
| H21 | C13 | C15 | C17 | 61.4° | 53.7° |
| H21 | C13 | C15 | H22 | 179.9° | 66.3° |
| H21 | C13 | N3 | C9 | 22.8° | 27.1° |
| H21 | C13 | C14 | N4 | 11.7° | 56.0° |
| O6 | C14 | N4 | C20 | 1.8° | 5.1° |
| O6 | C14 | N4 | H33 | 178.2° | 174.9° |
| C16 | C15 | C17 | H22 | 118.4° | 120.0° |
| C15 | C16 | C18 | H23 | 120.7° | 120.0° |
| C15 | C16 | C18 | H24 | 120.7° | 120.0° |
| C15 | C16 | H23 | H24 | 117.9° | 120.0° |
| C16 | C15 | C17 | H25 | 56.8° | 54.3° |
| C16 | C15 | C17 | H26 | 176.8° | 65.7° |
| C16 | C15 | C17 | H27 | 63.1° | 174.3° |
| C15 | C16 | C18 | H28 | 180.0° | 164.1° |
| C15 | C16 | C18 | H29 | 60.0° | 75.9° |
| C15 | C16 | C18 | H30 | 60.0° | 44.2° |
| C17 | C15 | C16 | C18 | 64.7° | 171.9° |
| C17 | C15 | C16 | H23 | 174.6° | 51.9° |
| C17 | C15 | C16 | H24 | 56.0° | 68.2° |
| C15 | C17 | H25 | H26 | 120.0° | 119.9° |
| C15 | C17 | H25 | H27 | 120.0° | 120.0° |
| C15 | C17 | H26 | H27 | 120.0° | 120.0° |
| H22 | C15 | C16 | C18 | 176.8° | 51.9° |
| H22 | C15 | C16 | H23 | 56.2° | 68.1° |
| H22 | C15 | C16 | H24 | 62.5° | 171.8° |
| H22 | C15 | C17 | H25 | 61.5° | 174.3° |
| H22 | C15 | C17 | H26 | 58.5° | 54.3° |
| H22 | C15 | C17 | H27 | 178.5° | 65.7° |
| C18 | C16 | H23 | H24 | 117.9° | 120.0° |
| C16 | C18 | H28 | H29 | 120.0° | 120.0° |
| C16 | C18 | H28 | H30 | 120.0° | 120.0° |
| C16 | C18 | H29 | H30 | 120.0° | 120.0° |
| H23 | C16 | C18 | H28 | 59.3° | 44.1° |
| H23 | C16 | C18 | H29 | 179.3° | 164.1° |
| H23 | C16 | C18 | H30 | 60.6° | 75.8° |
| H24 | C16 | C18 | H28 | 59.3° | 75.9° |
| H24 | C16 | C18 | H29 | 60.7° | 44.1° |
| H24 | C16 | C18 | H30 | 179.3° | 164.1° |
| H25 | C17 | H26 | H27 | 120.0° | 120.0° |
| H28 | C18 | H29 | H30 | 119.9° | 120.0° |
| O7 | C19 | C20 | H31 | 121.6° | 120.0° |
| O7 | C19 | C20 | H32 | 121.6° | 120.0° |
| O7 | C19 | H31 | H32 | 114.8° | 119.9° |
| O7 | C19 | C20 | N4 | 164.4° | 65.0° |
| O7 | C19 | C20 | C21 | 40.3° | 55.0° |
| O7 | C19 | C20 | H35 | 76.1° | 175.0° |
| C20 | C19 | H31 | H32 | 114.8° | 120.0° |
| C19 | C20 | N4 | C21 | 123.5° | 120.0° |
| C19 | C20 | N4 | H35 | 119.1° | 120.0° |
| C19 | C20 | N4 | H33 | 91.2° | 95.0° |
| C20 | C19 | O7 | H34 | 180.0° | 180.0° |
| C19 | C20 | C21 | H35 | 116.5° | 120.0° |
| C19 | C20 | C21 | C22 | 135.4° | 175.0° |
| C19 | C20 | C21 | H36 | 104.2° | 65.0° |
| C19 | C20 | C21 | H37 | 15.0° | 55.0° |
| C19 | C20 | N4 | C14 | 88.8° | 85.0° |
| H31 | C19 | C20 | N4 | 74.0° | 175.0° |
| H31 | C19 | O7 | H34 | 58.4° | 59.9° |
| H31 | C19 | C20 | C21 | 161.9° | 65.0° |
| H31 | C19 | C20 | H35 | 45.5° | 55.0° |
| H32 | C19 | C20 | N4 | 42.8° | 55.0° |
| H32 | C19 | O7 | H34 | 58.4° | 60.0° |
| H32 | C19 | C20 | C21 | 81.3° | 175.0° |
| H32 | C19 | C20 | H35 | 162.3° | 65.0° |
| C20 | N4 | H33 | C14 | 180.0° | 180.0° |
| N4 | C20 | C21 | H35 | 117.9° | 120.0° |
| N4 | C20 | C21 | C22 | 98.9° | 65.0° |
| N4 | C20 | C21 | H36 | 21.5° | 55.0° |
| N4 | C20 | C21 | H37 | 140.7° | 175.0° |
| H33 | N4 | C20 | C21 | 32.3° | 25.0° |
| H33 | N4 | C20 | H35 | 149.7° | 145.0° |
| C20 | C21 | C22 | H36 | 120.4° | 120.0° |
| C20 | C21 | C22 | H37 | 120.4° | 120.0° |
| C20 | C21 | H36 | H37 | 118.7° | 120.0° |
| C20 | C21 | C22 | O9 | 14.6° | 0.0° |
| C20 | C21 | C22 | O8 | 165.2° | 179.9° |
| C21 | C20 | N4 | C14 | 147.7° | 155.0° |
| H35 | C20 | C21 | C22 | 19.0° | 55.0° |
| H35 | C20 | C21 | H36 | 139.4° | 175.0° |
| H35 | C20 | C21 | H37 | 101.4° | 65.0° |
| H35 | C20 | N4 | C14 | 30.3° | 35.0° |
| C22 | C21 | H36 | H37 | 118.7° | 120.0° |
| C21 | C22 | O9 | O8 | 179.8° | 179.9° |
| C21 | C22 | O8 | H38 | 179.8° | 179.9° |
| H36 | C21 | C22 | O9 | 135.1° | 120.0° |
| H36 | C21 | C22 | O8 | 44.8° | 59.9° |
| H37 | C21 | C22 | O9 | 105.7° | 120.1° |
| H37 | C21 | C22 | O8 | 74.4° | 60.0° |
| O9 | C22 | O8 | H38 | 0.0° | 0.2° |
