PRD_000282
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| 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 | 1.49Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.24Å | |
| C6 | O4 | sing | 1.34Å | 1.26Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| N2 | C7 | sing | 1.47Å | 1.47Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | O5 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | O6 | doub | 1.21Å | 1.23Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| N4 | C11 | sing | 1.47Å | 1.46Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | O7 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | O8 | sing | 1.43Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | N5 | sing | 1.46Å | 1.48Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| O8 | H29 | sing | 0.97Å | 0.95Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.51Å | 1.48Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | O10 | doub | 1.21Å | 1.25Å | |
| C20 | O9 | sing | 1.34Å | 1.25Å | |
| O9 | H33 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| C12 | N5 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å | |
| C8 | N4 | 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 | 115.8° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.4° |
| C2 | C1 | N1 | 122.5° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.7° | 120.0° |
| N1 | C3 | C4 | 118.7° | 109.5° |
| N1 | C3 | C5 | 101.1° | 109.5° |
| N1 | C3 | H5 | 107.2° | 109.5° |
| C3 | N1 | C1 | 122.7° | 120.0° |
| H4 | N1 | C1 | 118.6° | 120.0° |
| C4 | C3 | C5 | 115.7° | 109.4° |
| C4 | C3 | H5 | 106.8° | 109.5° |
| C3 | C4 | O2 | 119.1° | 120.0° |
| C3 | C4 | N2 | 117.4° | 120.0° |
| C5 | C3 | H5 | 106.7° | 109.5° |
| C3 | C5 | C6 | 110.1° | 109.4° |
| C3 | C5 | H6 | 109.3° | 109.5° |
| C3 | C5 | H7 | 109.3° | 109.4° |
| O2 | C4 | N2 | 123.4° | 120.0° |
| C6 | C5 | H6 | 109.3° | 109.5° |
| C6 | C5 | H7 | 109.3° | 109.5° |
| C5 | C6 | O3 | 115.7° | 120.0° |
| C5 | C6 | O4 | 120.9° | 119.9° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| O3 | C6 | O4 | 123.4° | 120.0° |
| C6 | O4 | H8 | 109.5° | 116.9° |
| C7 | N2 | H9 | 119.5° | 120.0° |
| N2 | C7 | C8 | 110.5° | 109.5° |
| N2 | C7 | C9 | 110.9° | 109.5° |
| N2 | C7 | H10 | 109.5° | 109.4° |
| C7 | N2 | C4 | 120.9° | 120.0° |
| H9 | N2 | C4 | 119.6° | 120.0° |
| C8 | C7 | C9 | 108.4° | 109.5° |
| C8 | C7 | H10 | 108.9° | 109.5° |
| C7 | C8 | O5 | 120.3° | 120.0° |
| C7 | C8 | N4 | 116.0° | 120.0° |
| C9 | C7 | H10 | 108.7° | 109.5° |
| C7 | C9 | C10 | 113.3° | 109.5° |
| C7 | C9 | H11 | 108.5° | 109.5° |
| C7 | C9 | H12 | 108.5° | 109.5° |
| O5 | C8 | N4 | 123.7° | 120.0° |
| C10 | C9 | H11 | 108.5° | 109.4° |
| C10 | C9 | H12 | 108.5° | 109.5° |
| C9 | C10 | O6 | 119.7° | 120.0° |
| C9 | C10 | N3 | 117.8° | 120.0° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| O6 | C10 | N3 | 122.5° | 120.0° |
| C10 | N3 | H13 | 120.0° | 120.0° |
| C10 | N3 | H14 | 120.0° | 120.0° |
| H13 | N3 | H14 | 120.0° | 120.0° |
| C11 | N4 | H15 | 119.0° | 120.0° |
| N4 | C11 | C12 | 112.6° | 109.5° |
| N4 | C11 | C13 | 109.1° | 109.4° |
| N4 | C11 | H16 | 108.5° | 109.5° |
| C11 | N4 | C8 | 122.0° | 120.0° |
| H15 | N4 | C8 | 119.0° | 120.0° |
| C12 | C11 | C13 | 111.4° | 109.5° |
| C12 | C11 | H16 | 107.4° | 109.5° |
| C11 | C12 | O7 | 120.4° | 120.0° |
| C11 | C12 | N5 | 117.6° | 120.0° |
| C13 | C11 | H16 | 107.7° | 109.5° |
| C11 | C13 | C14 | 112.2° | 109.4° |
| C11 | C13 | H17 | 108.8° | 109.5° |
| C11 | C13 | H18 | 108.8° | 109.4° |
| O7 | C12 | N5 | 122.0° | 120.0° |
| C14 | C13 | H17 | 108.8° | 109.5° |
| C14 | C13 | H18 | 108.8° | 109.5° |
| C13 | C14 | C15 | 109.9° | 109.5° |
| C13 | C14 | C16 | 109.5° | 109.4° |
| C13 | C14 | H19 | 108.9° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| C15 | C14 | C16 | 111.0° | 109.5° |
| C15 | C14 | H19 | 108.9° | 109.4° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.4° |
| C16 | C14 | H19 | 108.7° | 109.5° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| C14 | C16 | H24 | 109.5° | 109.5° |
| C14 | C16 | H25 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.4° |
| H20 | C15 | H22 | 109.4° | 109.5° |
| H21 | C15 | H22 | 109.4° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| O8 | C17 | C18 | 107.9° | 109.5° |
| O8 | C17 | H26 | 109.9° | 109.4° |
| O8 | C17 | H27 | 109.9° | 109.4° |
| C17 | O8 | H29 | 109.5° | 114.0° |
| C18 | C17 | H26 | 109.8° | 109.5° |
| C18 | C17 | H27 | 109.9° | 109.5° |
| C17 | C18 | N5 | 114.8° | 109.5° |
| C17 | C18 | C19 | 110.3° | 109.5° |
| C17 | C18 | H30 | 107.7° | 109.5° |
| H26 | C17 | H27 | 109.4° | 109.5° |
| C18 | N5 | H28 | 118.6° | 120.0° |
| N5 | C18 | C19 | 107.1° | 109.5° |
| N5 | C18 | H30 | 108.7° | 109.5° |
| C18 | N5 | C12 | 122.8° | 120.0° |
| H28 | N5 | C12 | 118.6° | 120.0° |
| C19 | C18 | H30 | 108.0° | 109.5° |
| C18 | C19 | C20 | 112.7° | 109.5° |
| C18 | C19 | H31 | 108.6° | 109.5° |
| C18 | C19 | H32 | 108.6° | 109.4° |
| C20 | C19 | H31 | 108.6° | 109.4° |
| C20 | C19 | H32 | 108.7° | 109.5° |
| C19 | C20 | O10 | 117.3° | 120.0° |
| C19 | C20 | O9 | 117.6° | 120.0° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| O10 | C20 | O9 | 125.1° | 120.0° |
| C20 | O9 | H33 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 166.9° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 89.9° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 113.1° | 5.0° |
| O1 | C1 | N1 | H4 | 66.9° | 175.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 79.4° | 174.7° |
| C2 | C1 | N1 | H4 | 100.5° | 5.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 166.9° | 89.7° |
| H2 | C2 | C1 | N1 | 46.9° | 30.3° |
| H3 | C2 | C1 | N1 | 73.1° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 120.4° | 120.0° |
| N1 | C3 | C4 | H5 | 121.1° | 120.0° |
| N1 | C3 | C5 | H5 | 111.9° | 120.0° |
| N1 | C3 | C4 | O2 | 27.9° | 0.0° |
| N1 | C3 | C5 | C6 | 44.1° | 64.1° |
| N1 | C3 | C5 | H6 | 75.9° | 55.9° |
| N1 | C3 | C5 | H7 | 164.2° | 175.9° |
| N1 | C3 | C4 | N2 | 152.3° | 179.9° |
| H4 | N1 | C3 | C4 | 127.3° | 98.5° |
| H4 | N1 | C3 | C5 | 0.3° | 21.5° |
| H4 | N1 | C3 | H5 | 111.8° | 141.4° |
| C4 | C3 | C5 | H5 | 118.6° | 120.0° |
| C3 | C4 | O2 | N2 | 179.8° | 179.9° |
| C4 | C3 | C5 | C6 | 173.7° | 175.9° |
| C4 | C3 | C5 | H6 | 53.6° | 64.1° |
| C4 | C3 | C5 | H7 | 66.2° | 55.9° |
| C3 | C4 | N2 | C7 | 179.4° | 175.0° |
| C3 | C4 | N2 | H9 | 0.6° | 4.8° |
| C4 | C3 | N1 | C1 | 52.7° | 81.5° |
| C5 | C3 | C4 | O2 | 92.4° | 120.0° |
| C3 | C5 | C6 | H6 | 120.1° | 120.0° |
| C3 | C5 | C6 | H7 | 120.1° | 119.9° |
| C3 | C5 | H6 | H7 | 119.7° | 120.0° |
| C3 | C5 | C6 | O3 | 42.1° | 4.7° |
| C3 | C5 | C6 | O4 | 134.8° | 175.3° |
| C5 | C3 | N1 | C1 | 179.7° | 158.6° |
| C5 | C3 | C4 | N2 | 87.4° | 60.1° |
| H5 | C3 | C4 | O2 | 149.0° | 120.0° |
| H5 | C3 | C5 | C6 | 67.7° | 55.9° |
| H5 | C3 | C5 | H6 | 172.2° | 175.9° |
| H5 | C3 | C5 | H7 | 52.4° | 64.1° |
| H5 | C3 | N1 | C1 | 68.2° | 38.6° |
| H5 | C3 | C4 | N2 | 31.2° | 59.9° |
| O2 | C4 | N2 | C7 | 0.8° | 5.1° |
| O2 | C4 | N2 | H9 | 179.2° | 175.0° |
| C6 | C5 | H6 | H7 | 119.7° | 120.0° |
| C5 | C6 | O3 | O4 | 176.8° | 180.0° |
| C5 | C6 | O4 | H8 | 176.6° | 180.0° |
| H6 | C5 | C6 | O3 | 162.2° | 115.3° |
| H6 | C5 | C6 | O4 | 14.7° | 64.7° |
| H7 | C5 | C6 | O3 | 78.1° | 124.6° |
| H7 | C5 | C6 | O4 | 105.1° | 55.4° |
| O3 | C6 | O4 | H8 | 0.0° | 0.0° |
| C7 | N2 | H9 | C4 | 180.0° | 179.8° |
| N2 | C7 | C8 | C9 | 121.7° | 120.0° |
| N2 | C7 | C8 | H10 | 120.2° | 120.0° |
| N2 | C7 | C9 | H10 | 120.4° | 120.0° |
| N2 | C7 | C8 | O5 | 1.1° | 0.0° |
| N2 | C7 | C9 | C10 | 62.1° | 64.1° |
| N2 | C7 | C9 | H11 | 58.5° | 55.9° |
| N2 | C7 | C9 | H12 | 177.4° | 175.9° |
| N2 | C7 | C8 | N4 | 179.9° | 180.0° |
| H9 | N2 | C7 | C8 | 69.8° | 98.5° |
| H9 | N2 | C7 | C9 | 50.4° | 21.5° |
| H9 | N2 | C7 | H10 | 170.3° | 141.5° |
| C8 | C7 | C9 | H10 | 118.2° | 120.0° |
| C7 | C8 | O5 | N4 | 178.6° | 180.0° |
| C8 | C7 | C9 | C10 | 176.5° | 175.9° |
| C8 | C7 | C9 | H11 | 62.9° | 64.1° |
| C8 | C7 | C9 | H12 | 55.9° | 55.9° |
| C7 | C8 | N4 | C11 | 178.9° | 175.0° |
| C7 | C8 | N4 | H15 | 1.1° | 5.0° |
| C8 | C7 | N2 | C4 | 110.2° | 81.4° |
| C9 | C7 | C8 | O5 | 120.5° | 120.0° |
| C7 | C9 | C10 | H11 | 120.6° | 120.0° |
| C7 | C9 | C10 | H12 | 120.6° | 120.0° |
| C7 | C9 | H11 | H12 | 118.2° | 120.0° |
| C7 | C9 | C10 | O6 | 173.2° | 4.7° |
| C7 | C9 | C10 | N3 | 7.4° | 175.3° |
| C9 | C7 | N2 | C4 | 129.6° | 158.6° |
| C9 | C7 | C8 | N4 | 58.2° | 60.0° |
| H10 | C7 | C8 | O5 | 121.4° | 120.0° |
| H10 | C7 | C9 | C10 | 58.3° | 55.9° |
| H10 | C7 | C9 | H11 | 178.9° | 175.9° |
| H10 | C7 | C9 | H12 | 62.3° | 64.1° |
| H10 | C7 | N2 | C4 | 9.7° | 38.6° |
| H10 | C7 | C8 | N4 | 59.9° | 60.0° |
| O5 | C8 | N4 | C11 | 0.2° | 5.0° |
| O5 | C8 | N4 | H15 | 179.8° | 174.9° |
| C10 | C9 | H11 | H12 | 118.3° | 120.0° |
| C9 | C10 | O6 | N3 | 179.4° | 180.0° |
| C9 | C10 | N3 | H13 | 179.4° | 0.0° |
| C9 | C10 | N3 | H14 | 0.6° | 179.9° |
| H11 | C9 | C10 | O6 | 52.6° | 115.4° |
| H11 | C9 | C10 | N3 | 128.0° | 64.6° |
| H12 | C9 | C10 | O6 | 66.3° | 124.7° |
| H12 | C9 | C10 | N3 | 113.1° | 55.3° |
| O6 | C10 | N3 | H13 | 0.0° | 180.0° |
| O6 | C10 | N3 | H14 | 180.0° | 0.1° |
| C10 | N3 | H13 | H14 | 180.0° | 180.0° |
| C11 | N4 | H15 | C8 | 180.0° | 179.9° |
| N4 | C11 | C12 | C13 | 122.9° | 120.0° |
| N4 | C11 | C12 | H16 | 119.4° | 120.0° |
| N4 | C11 | C13 | H16 | 117.6° | 120.0° |
| N4 | C11 | C12 | O7 | 39.7° | 13.3° |
| N4 | C11 | C13 | C14 | 70.0° | 174.3° |
| N4 | C11 | C13 | H17 | 50.4° | 54.3° |
| N4 | C11 | C13 | H18 | 169.6° | 65.7° |
| N4 | C11 | C12 | N5 | 141.4° | 166.8° |
| H15 | N4 | C11 | C12 | 64.3° | 28.9° |
| H15 | N4 | C11 | C13 | 59.8° | 91.2° |
| H15 | N4 | C11 | H16 | 176.9° | 148.9° |
| C12 | C11 | C13 | H16 | 117.6° | 120.0° |
| C11 | C12 | O7 | N5 | 178.8° | 180.0° |
| C12 | C11 | C13 | C14 | 165.1° | 65.7° |
| C12 | C11 | C13 | H17 | 74.4° | 174.3° |
| C12 | C11 | C13 | H18 | 44.7° | 54.3° |
| C11 | C12 | N5 | C18 | 177.5° | 175.9° |
| C11 | C12 | N5 | H28 | 2.5° | 4.1° |
| C12 | C11 | N4 | C8 | 115.7° | 151.1° |
| C13 | C11 | C12 | O7 | 83.1° | 106.7° |
| C11 | C13 | C14 | H17 | 120.4° | 120.0° |
| C11 | C13 | C14 | H18 | 120.4° | 120.0° |
| C11 | C13 | H17 | H18 | 118.8° | 120.0° |
| C11 | C13 | C14 | C15 | 171.5° | 66.3° |
| C11 | C13 | C14 | C16 | 66.4° | 173.7° |
| C11 | C13 | C14 | H19 | 52.3° | 53.7° |
| C13 | C11 | C12 | N5 | 95.7° | 73.2° |
| C13 | C11 | N4 | C8 | 120.2° | 88.9° |
| H16 | C11 | C12 | O7 | 159.2° | 133.3° |
| H16 | C11 | C13 | C14 | 47.6° | 54.3° |
| H16 | C11 | C13 | H17 | 168.0° | 65.6° |
| H16 | C11 | C13 | H18 | 72.8° | 174.4° |
| H16 | C11 | C12 | N5 | 22.0° | 46.8° |
| H16 | C11 | N4 | C8 | 3.1° | 31.1° |
| O7 | C12 | N5 | C18 | 3.7° | 4.1° |
| O7 | C12 | N5 | H28 | 176.3° | 175.8° |
| C14 | C13 | H17 | H18 | 118.7° | 120.1° |
| C13 | C14 | C15 | C16 | 121.2° | 120.0° |
| C13 | C14 | C15 | H19 | 119.1° | 120.1° |
| C13 | C14 | C16 | H19 | 118.8° | 120.0° |
| C13 | C14 | C15 | H20 | 180.0° | 174.9° |
| C13 | C14 | C15 | H21 | 60.0° | 65.1° |
| C13 | C14 | C15 | H22 | 60.0° | 54.9° |
| C13 | C14 | C16 | H23 | 180.0° | 60.0° |
| C13 | C14 | C16 | H24 | 60.0° | 180.0° |
| C13 | C14 | C16 | H25 | 60.0° | 60.0° |
| H17 | C13 | C14 | C15 | 51.1° | 53.6° |
| H17 | C13 | C14 | C16 | 173.2° | 66.4° |
| H17 | C13 | C14 | H19 | 68.1° | 173.6° |
| H18 | C13 | C14 | C15 | 68.1° | 173.7° |
| H18 | C13 | C14 | C16 | 54.0° | 53.7° |
| H18 | C13 | C14 | H19 | 172.7° | 66.3° |
| C15 | C14 | C16 | H19 | 119.8° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H22 | 120.0° | 120.0° |
| C14 | C15 | H21 | H22 | 120.0° | 120.0° |
| C15 | C14 | C16 | H23 | 58.6° | 180.0° |
| C15 | C14 | C16 | H24 | 61.4° | 60.0° |
| C15 | C14 | C16 | H25 | 178.6° | 60.0° |
| C16 | C14 | C15 | H20 | 58.8° | 54.9° |
| C16 | C14 | C15 | H21 | 178.8° | 174.9° |
| C16 | C14 | C15 | H22 | 61.2° | 65.1° |
| C14 | C16 | H23 | H24 | 120.0° | 120.0° |
| C14 | C16 | H23 | H25 | 120.0° | 120.0° |
| C14 | C16 | H24 | H25 | 120.0° | 120.0° |
| H19 | C14 | C15 | H20 | 60.9° | 65.1° |
| H19 | C14 | C15 | H21 | 59.2° | 54.9° |
| H19 | C14 | C15 | H22 | 179.1° | 174.9° |
| H19 | C14 | C16 | H23 | 61.2° | 60.0° |
| H19 | C14 | C16 | H24 | 178.8° | 59.9° |
| H19 | C14 | C16 | H25 | 58.8° | 180.0° |
| H20 | C15 | H21 | H22 | 119.9° | 120.0° |
| H23 | C16 | H24 | H25 | 120.0° | 120.0° |
| O8 | C17 | C18 | H26 | 119.8° | 120.0° |
| O8 | C17 | C18 | H27 | 119.8° | 120.0° |
| O8 | C17 | H26 | H27 | 120.7° | 119.9° |
| O8 | C17 | C18 | N5 | 111.0° | 65.0° |
| O8 | C17 | C18 | C19 | 127.9° | 55.0° |
| O8 | C17 | C18 | H30 | 10.2° | 175.0° |
| C18 | C17 | H26 | H27 | 120.7° | 120.0° |
| C17 | C18 | N5 | C19 | 122.8° | 120.0° |
| C17 | C18 | N5 | H30 | 120.7° | 120.0° |
| C17 | C18 | N5 | H28 | 61.5° | 94.9° |
| C18 | C17 | O8 | H29 | 180.0° | 180.0° |
| C17 | C18 | C19 | H30 | 117.5° | 120.0° |
| C17 | C18 | C19 | C20 | 128.6° | 175.0° |
| C17 | C18 | C19 | H31 | 110.9° | 65.0° |
| C17 | C18 | C19 | H32 | 8.1° | 55.0° |
| C17 | C18 | N5 | C12 | 118.5° | 85.0° |
| H26 | C17 | C18 | N5 | 8.7° | 175.0° |
| H26 | C17 | O8 | H29 | 60.3° | 59.9° |
| H26 | C17 | C18 | C19 | 112.3° | 65.0° |
| H26 | C17 | C18 | H30 | 130.0° | 55.0° |
| H27 | C17 | C18 | N5 | 129.2° | 55.0° |
| H27 | C17 | O8 | H29 | 60.2° | 60.0° |
| H27 | C17 | C18 | C19 | 8.1° | 175.0° |
| H27 | C17 | C18 | H30 | 109.5° | 65.0° |
| C18 | N5 | H28 | C12 | 180.0° | 180.0° |
| N5 | C18 | C19 | H30 | 117.0° | 120.0° |
| N5 | C18 | C19 | C20 | 105.9° | 65.0° |
| N5 | C18 | C19 | H31 | 14.6° | 55.0° |
| N5 | C18 | C19 | H32 | 133.7° | 175.0° |
| H28 | N5 | C18 | C19 | 61.3° | 25.0° |
| H28 | N5 | C18 | H30 | 177.8° | 145.0° |
| C18 | C19 | C20 | H31 | 120.5° | 120.0° |
| C18 | C19 | C20 | H32 | 120.5° | 120.0° |
| C18 | C19 | H31 | H32 | 118.5° | 120.0° |
| C18 | C19 | C20 | O10 | 7.8° | 0.0° |
| C18 | C19 | C20 | O9 | 171.5° | 180.0° |
| C19 | C18 | N5 | C12 | 118.7° | 155.0° |
| H30 | C18 | C19 | C20 | 11.1° | 55.0° |
| H30 | C18 | C19 | H31 | 131.6° | 175.0° |
| H30 | C18 | C19 | H32 | 109.4° | 65.0° |
| H30 | C18 | N5 | C12 | 2.2° | 35.0° |
| C20 | C19 | H31 | H32 | 118.5° | 120.0° |
| C19 | C20 | O10 | O9 | 179.2° | 180.0° |
| C19 | C20 | O9 | H33 | 179.3° | 180.0° |
| H31 | C19 | C20 | O10 | 112.6° | 120.0° |
| H31 | C19 | C20 | O9 | 68.1° | 60.0° |
| H32 | C19 | C20 | O10 | 128.3° | 119.9° |
| H32 | C19 | C20 | O9 | 51.0° | 60.0° |
| O10 | C20 | O9 | H33 | 0.0° | 0.0° |
