PRD_000910
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | O2 | sing | 1.35Å | 1.45Å | |
| O2 | C2 | sing | 1.45Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.47Å | 1.45Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| 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 | 1.45Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C14 | sing | 1.46Å | 1.45Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| 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 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| O6 | C24 | doub | 1.21Å | 1.23Å | |
| N6 | C24 | sing | 1.35Å | 1.32Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N5 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | N4 | doub | 1.28Å | 1.26Å | |
| C20 | H35 | sing | 1.08Å | 1.08Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| N6 | H44 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | N2 | sing | 1.35Å | 1.32Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | N5 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.0° | 120.1° |
| O1 | C1 | N1 | 122.9° | 120.0° |
| C1 | O2 | C2 | 121.2° | 117.0° |
| O2 | C1 | N1 | 117.1° | 119.9° |
| O2 | C2 | C3 | 107.7° | 109.4° |
| O2 | C2 | C4 | 109.0° | 109.5° |
| O2 | C2 | C5 | 109.4° | 109.5° |
| C3 | C2 | C4 | 110.5° | 109.4° |
| C3 | C2 | C5 | 108.4° | 109.5° |
| C2 | C3 | H1 | 109.5° | 109.5° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.4° |
| C4 | C2 | C5 | 111.8° | 109.5° |
| C2 | C4 | H4 | 109.5° | 109.4° |
| C2 | C4 | H5 | 109.5° | 109.5° |
| C2 | C4 | H6 | 109.5° | 109.5° |
| C2 | C5 | H7 | 109.5° | 109.4° |
| C2 | C5 | H8 | 109.4° | 109.5° |
| C2 | C5 | H9 | 109.5° | 109.4° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H1 | C3 | H3 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.4° | 109.5° |
| H4 | C4 | H5 | 109.4° | 109.5° |
| H4 | C4 | H6 | 109.4° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.4° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| C6 | N1 | H10 | 119.4° | 120.0° |
| N1 | C6 | C7 | 108.1° | 109.5° |
| N1 | C6 | C8 | 109.2° | 109.5° |
| N1 | C6 | H11 | 110.5° | 109.5° |
| C6 | N1 | C1 | 121.2° | 120.0° |
| H10 | N1 | C1 | 119.4° | 120.0° |
| C7 | C6 | C8 | 110.0° | 109.5° |
| C7 | C6 | H11 | 109.7° | 109.5° |
| C6 | C7 | O3 | 120.9° | 120.0° |
| C6 | C7 | N2 | 116.1° | 120.0° |
| C8 | C6 | H11 | 109.3° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.4° |
| C6 | C8 | H14 | 109.5° | 109.4° |
| O3 | C7 | N2 | 123.0° | 120.0° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | H15 | 119.0° | 120.0° |
| N2 | C9 | C10 | 110.6° | 109.4° |
| N2 | C9 | C11 | 101.7° | 109.5° |
| N2 | C9 | H16 | 111.8° | 109.5° |
| C9 | N2 | C7 | 122.1° | 120.0° |
| H15 | N2 | C7 | 119.0° | 120.0° |
| C10 | C9 | C11 | 110.8° | 109.5° |
| C10 | C9 | H16 | 111.0° | 109.5° |
| C9 | C10 | O4 | 120.1° | 120.0° |
| C9 | C10 | N3 | 117.2° | 120.0° |
| C11 | C9 | H16 | 110.6° | 109.5° |
| C9 | C11 | C12 | 113.3° | 109.5° |
| C9 | C11 | C13 | 109.8° | 109.5° |
| C9 | C11 | H17 | 107.3° | 109.5° |
| O4 | C10 | N3 | 122.8° | 120.0° |
| C12 | C11 | C13 | 111.5° | 109.5° |
| C12 | C11 | H17 | 107.3° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C13 | C11 | H17 | 107.3° | 109.4° |
| C11 | C13 | H21 | 109.5° | 109.4° |
| C11 | C13 | H22 | 109.5° | 109.5° |
| C11 | C13 | H23 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.4° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H23 | 109.4° | 109.4° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| C14 | N3 | H24 | 119.2° | 120.0° |
| N3 | C14 | C15 | 106.6° | 109.5° |
| N3 | C14 | C16 | 106.3° | 109.5° |
| N3 | C14 | H25 | 111.9° | 109.5° |
| C14 | N3 | C10 | 121.6° | 120.0° |
| H24 | N3 | C10 | 119.2° | 120.0° |
| C15 | C14 | C16 | 109.8° | 109.5° |
| C15 | C14 | H25 | 111.2° | 109.4° |
| C14 | C15 | O5 | 120.6° | 120.0° |
| C14 | C15 | N5 | 117.5° | 120.0° |
| C16 | C14 | H25 | 110.8° | 109.5° |
| C14 | C16 | C17 | 113.6° | 109.5° |
| C14 | C16 | H26 | 108.4° | 109.5° |
| C14 | C16 | H27 | 108.4° | 109.4° |
| O5 | C15 | N5 | 122.0° | 120.0° |
| C17 | C16 | H26 | 108.4° | 109.5° |
| C17 | C16 | H27 | 108.4° | 109.5° |
| C16 | C17 | C18 | 112.0° | 109.5° |
| C16 | C17 | C19 | 111.7° | 109.5° |
| C16 | C17 | H28 | 107.2° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| C18 | C17 | C19 | 111.2° | 109.5° |
| C18 | C17 | H28 | 107.2° | 109.5° |
| C17 | C18 | H29 | 109.5° | 109.5° |
| C17 | C18 | H30 | 109.4° | 109.4° |
| C17 | C18 | H31 | 109.5° | 109.5° |
| C19 | C17 | H28 | 107.3° | 109.5° |
| C17 | C19 | H32 | 109.5° | 109.5° |
| C17 | C19 | H33 | 109.4° | 109.5° |
| C17 | C19 | H34 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H29 | C18 | H31 | 109.4° | 109.4° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H32 | C19 | H34 | 109.4° | 109.4° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| O6 | C24 | N6 | 123.2° | 120.0° |
| O6 | C24 | C23 | 120.7° | 120.0° |
| N6 | C24 | C23 | 116.1° | 120.0° |
| C24 | N6 | H43 | 120.0° | 120.0° |
| C24 | N6 | H44 | 120.0° | 120.0° |
| C24 | C23 | C22 | 106.9° | 109.4° |
| C24 | C23 | H41 | 110.1° | 109.5° |
| C24 | C23 | H42 | 110.1° | 109.4° |
| C23 | C22 | C21 | 111.9° | 109.4° |
| C23 | C22 | H39 | 108.9° | 109.5° |
| C23 | C22 | H40 | 108.8° | 109.5° |
| C22 | C23 | H41 | 110.1° | 109.5° |
| C22 | C23 | H42 | 110.1° | 109.5° |
| C22 | C21 | N5 | 104.3° | 109.5° |
| C22 | C21 | C20 | 108.6° | 109.5° |
| C22 | C21 | H37 | 108.7° | 109.5° |
| C21 | C22 | H39 | 108.9° | 109.4° |
| C21 | C22 | H40 | 108.9° | 109.5° |
| N5 | C21 | C20 | 116.4° | 109.5° |
| N5 | C21 | H37 | 109.5° | 109.5° |
| C21 | N5 | H38 | 119.9° | 120.0° |
| C21 | N5 | C15 | 120.3° | 120.0° |
| C21 | C20 | N4 | 116.4° | 120.0° |
| C21 | C20 | H35 | 121.9° | 120.0° |
| C20 | C21 | H37 | 109.0° | 109.5° |
| N4 | C20 | H35 | 121.8° | 120.0° |
| C20 | N4 | H36 | 112.0° | 120.0° |
| H38 | N5 | C15 | 119.9° | 120.1° |
| H39 | C22 | H40 | 109.4° | 109.5° |
| H41 | C23 | H42 | 109.5° | 109.5° |
| H43 | N6 | H44 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 179.2° | 179.7° |
| O1 | C1 | O2 | C2 | 35.3° | 0.1° |
| O1 | C1 | N1 | C6 | 2.3° | 0.0° |
| O1 | C1 | N1 | H10 | 177.7° | 180.0° |
| C1 | O2 | C2 | C3 | 160.1° | 60.1° |
| C1 | O2 | C2 | C4 | 80.1° | 180.0° |
| C1 | O2 | C2 | C5 | 42.4° | 59.9° |
| O2 | C1 | N1 | C6 | 178.5° | 179.7° |
| O2 | C1 | N1 | H10 | 1.5° | 0.3° |
| O2 | C2 | C3 | C4 | 118.9° | 120.0° |
| O2 | C2 | C3 | C5 | 118.3° | 120.0° |
| O2 | C2 | C4 | C5 | 121.0° | 120.1° |
| O2 | C2 | C3 | H1 | 180.0° | 60.0° |
| O2 | C2 | C3 | H2 | 60.0° | 180.0° |
| O2 | C2 | C3 | H3 | 60.0° | 60.0° |
| O2 | C2 | C4 | H4 | 180.0° | 60.1° |
| O2 | C2 | C4 | H5 | 60.0° | 180.0° |
| O2 | C2 | C4 | H6 | 60.0° | 59.9° |
| O2 | C2 | C5 | H7 | 180.0° | 60.0° |
| O2 | C2 | C5 | H8 | 60.0° | 180.0° |
| O2 | C2 | C5 | H9 | 60.0° | 60.1° |
| C2 | O2 | C1 | N1 | 145.5° | 179.8° |
| C3 | C2 | C4 | C5 | 120.8° | 120.0° |
| C2 | C3 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | H1 | H3 | 120.0° | 120.0° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C3 | C2 | C4 | H4 | 61.8° | 180.0° |
| C3 | C2 | C4 | H5 | 58.2° | 60.0° |
| C3 | C2 | C4 | H6 | 178.2° | 60.0° |
| C3 | C2 | C5 | H7 | 62.8° | 60.0° |
| C3 | C2 | C5 | H8 | 177.2° | 60.0° |
| C3 | C2 | C5 | H9 | 57.2° | 179.9° |
| C4 | C2 | C3 | H1 | 61.1° | 60.0° |
| C4 | C2 | C3 | H2 | 178.9° | 60.0° |
| C4 | C2 | C3 | H3 | 58.9° | 180.0° |
| C2 | C4 | H4 | H5 | 120.0° | 120.0° |
| C2 | C4 | H4 | H6 | 120.0° | 120.0° |
| C2 | C4 | H5 | H6 | 120.0° | 120.0° |
| C4 | C2 | C5 | H7 | 59.3° | 179.9° |
| C4 | C2 | C5 | H8 | 60.8° | 59.9° |
| C4 | C2 | C5 | H9 | 179.2° | 60.0° |
| C5 | C2 | C3 | H1 | 61.7° | 180.0° |
| C5 | C2 | C3 | H2 | 58.3° | 60.0° |
| C5 | C2 | C3 | H3 | 178.2° | 60.0° |
| C5 | C2 | C4 | H4 | 59.0° | 60.0° |
| C5 | C2 | C4 | H5 | 179.0° | 59.9° |
| C5 | C2 | C4 | H6 | 61.0° | 180.0° |
| C2 | C5 | H7 | H8 | 120.0° | 120.0° |
| C2 | C5 | H7 | H9 | 120.0° | 120.0° |
| C2 | C5 | H8 | H9 | 120.0° | 119.9° |
| H1 | C3 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | H5 | H6 | 120.0° | 120.0° |
| H7 | C5 | H8 | H9 | 120.0° | 120.1° |
| C6 | N1 | H10 | C1 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 119.2° | 120.0° |
| N1 | C6 | C7 | H11 | 120.6° | 120.0° |
| N1 | C6 | C8 | H11 | 121.0° | 120.0° |
| N1 | C6 | C7 | O3 | 37.8° | 0.0° |
| N1 | C6 | C8 | H12 | 180.0° | 180.0° |
| N1 | C6 | C8 | H13 | 60.0° | 60.0° |
| N1 | C6 | C8 | H14 | 60.0° | 60.0° |
| N1 | C6 | C7 | N2 | 142.3° | 180.0° |
| H10 | N1 | C6 | C7 | 110.8° | 25.0° |
| H10 | N1 | C6 | C8 | 8.8° | 95.0° |
| H10 | N1 | C6 | H11 | 129.1° | 145.0° |
| C7 | C6 | C8 | H11 | 120.5° | 120.0° |
| C6 | C7 | O3 | N2 | 179.9° | 180.0° |
| C7 | C6 | C8 | H12 | 61.5° | 60.0° |
| C7 | C6 | C8 | H13 | 178.5° | 180.0° |
| C7 | C6 | C8 | H14 | 58.5° | 60.0° |
| C6 | C7 | N2 | C9 | 179.9° | 180.0° |
| C6 | C7 | N2 | H15 | 0.1° | 0.1° |
| C7 | C6 | N1 | C1 | 69.2° | 155.0° |
| C8 | C6 | C7 | O3 | 81.4° | 120.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 119.9° |
| C8 | C6 | N1 | C1 | 171.2° | 85.0° |
| C8 | C6 | C7 | N2 | 98.5° | 60.0° |
| H11 | C6 | C7 | O3 | 158.4° | 120.0° |
| H11 | C6 | C8 | H12 | 59.0° | 60.0° |
| H11 | C6 | C8 | H13 | 61.0° | 60.0° |
| H11 | C6 | C8 | H14 | 179.0° | 180.0° |
| H11 | C6 | N1 | C1 | 50.9° | 35.0° |
| H11 | C6 | C7 | N2 | 21.7° | 60.0° |
| O3 | C7 | N2 | C9 | 0.0° | 0.0° |
| O3 | C7 | N2 | H15 | 180.0° | 179.9° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C7 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 112.0° | 120.0° |
| N2 | C9 | C10 | H16 | 124.7° | 120.0° |
| N2 | C9 | C11 | H16 | 118.9° | 120.0° |
| N2 | C9 | C10 | O4 | 52.1° | 20.3° |
| N2 | C9 | C11 | C12 | 162.4° | 176.2° |
| N2 | C9 | C11 | C13 | 72.3° | 56.2° |
| N2 | C9 | C11 | H17 | 44.1° | 63.8° |
| N2 | C9 | C10 | N3 | 127.3° | 159.7° |
| H15 | N2 | C9 | C10 | 68.5° | 25.0° |
| H15 | N2 | C9 | C11 | 49.2° | 94.9° |
| H15 | N2 | C9 | H16 | 167.3° | 145.1° |
| C10 | C9 | C11 | H16 | 123.5° | 120.0° |
| C9 | C10 | O4 | N3 | 179.3° | 180.0° |
| C10 | C9 | C11 | C12 | 44.8° | 63.9° |
| C10 | C9 | C11 | C13 | 170.2° | 176.1° |
| C10 | C9 | C11 | H17 | 73.5° | 56.2° |
| C9 | C10 | N3 | C14 | 179.2° | 174.9° |
| C9 | C10 | N3 | H24 | 0.8° | 5.1° |
| C10 | C9 | N2 | C7 | 111.5° | 155.0° |
| C11 | C9 | C10 | O4 | 59.9° | 99.6° |
| C9 | C11 | C12 | C13 | 124.5° | 120.0° |
| C9 | C11 | C12 | H17 | 118.3° | 120.1° |
| C9 | C11 | C13 | H17 | 116.3° | 120.0° |
| C9 | C11 | C12 | H18 | 180.0° | 54.5° |
| C9 | C11 | C12 | H19 | 60.0° | 174.5° |
| C9 | C11 | C12 | H20 | 60.0° | 65.5° |
| C9 | C11 | C13 | H21 | 180.0° | 60.0° |
| C9 | C11 | C13 | H22 | 60.0° | 180.0° |
| C9 | C11 | C13 | H23 | 60.0° | 60.0° |
| C11 | C9 | N2 | C7 | 130.8° | 85.0° |
| C11 | C9 | C10 | N3 | 120.7° | 80.4° |
| H16 | C9 | C10 | O4 | 176.8° | 140.4° |
| H16 | C9 | C11 | C12 | 78.8° | 56.1° |
| H16 | C9 | C11 | C13 | 46.6° | 63.9° |
| H16 | C9 | C11 | H17 | 163.0° | 176.2° |
| H16 | C9 | N2 | C7 | 12.7° | 35.0° |
| H16 | C9 | C10 | N3 | 2.6° | 39.6° |
| O4 | C10 | N3 | C14 | 1.5° | 5.1° |
| O4 | C10 | N3 | H24 | 178.5° | 174.9° |
| C12 | C11 | C13 | H17 | 117.2° | 120.0° |
| C11 | C12 | H18 | H19 | 120.0° | 120.1° |
| C11 | C12 | H18 | H20 | 120.0° | 120.0° |
| C11 | C12 | H19 | H20 | 120.0° | 120.0° |
| C12 | C11 | C13 | H21 | 53.6° | 180.0° |
| C12 | C11 | C13 | H22 | 66.4° | 60.0° |
| C12 | C11 | C13 | H23 | 173.5° | 60.1° |
| C13 | C11 | C12 | H18 | 55.5° | 65.6° |
| C13 | C11 | C12 | H19 | 175.5° | 54.4° |
| C13 | C11 | C12 | H20 | 64.5° | 174.5° |
| C11 | C13 | H21 | H22 | 120.0° | 120.1° |
| C11 | C13 | H21 | H23 | 120.0° | 119.9° |
| C11 | C13 | H22 | H23 | 120.0° | 120.0° |
| H17 | C11 | C12 | H18 | 61.7° | 174.5° |
| H17 | C11 | C12 | H19 | 58.3° | 65.5° |
| H17 | C11 | C12 | H20 | 178.2° | 54.6° |
| H17 | C11 | C13 | H21 | 63.7° | 60.1° |
| H17 | C11 | C13 | H22 | 176.3° | 60.0° |
| H17 | C11 | C13 | H23 | 56.3° | 180.0° |
| H18 | C12 | H19 | H20 | 120.0° | 119.9° |
| H21 | C13 | H22 | H23 | 120.0° | 120.0° |
| C14 | N3 | H24 | C10 | 180.0° | 180.0° |
| N3 | C14 | C15 | C16 | 114.7° | 120.0° |
| N3 | C14 | C15 | H25 | 122.3° | 120.0° |
| N3 | C14 | C16 | H25 | 121.9° | 120.0° |
| N3 | C14 | C15 | O5 | 69.3° | 20.5° |
| N3 | C14 | C16 | C17 | 67.1° | 176.5° |
| N3 | C14 | C16 | H26 | 53.5° | 56.4° |
| N3 | C14 | C16 | H27 | 172.3° | 63.6° |
| N3 | C14 | C15 | N5 | 109.5° | 159.5° |
| H24 | N3 | C14 | C15 | 112.1° | 28.0° |
| H24 | N3 | C14 | C16 | 5.0° | 92.0° |
| H24 | N3 | C14 | H25 | 126.1° | 148.0° |
| C15 | C14 | C16 | H25 | 123.3° | 120.0° |
| C14 | C15 | O5 | N5 | 178.8° | 180.0° |
| C15 | C14 | C16 | C17 | 178.0° | 63.5° |
| C15 | C14 | C16 | H26 | 61.4° | 176.5° |
| C15 | C14 | C16 | H27 | 57.4° | 56.5° |
| C14 | C15 | N5 | C21 | 178.3° | 175.8° |
| C14 | C15 | N5 | H38 | 1.7° | 4.1° |
| C15 | C14 | N3 | C10 | 67.9° | 152.0° |
| C16 | C14 | C15 | O5 | 45.4° | 99.5° |
| C14 | C16 | C17 | H26 | 120.6° | 120.0° |
| C14 | C16 | C17 | H27 | 120.6° | 119.9° |
| C14 | C16 | H26 | H27 | 118.1° | 120.0° |
| C14 | C16 | C17 | C18 | 171.2° | 66.5° |
| C14 | C16 | C17 | C19 | 45.7° | 173.5° |
| C14 | C16 | C17 | H28 | 71.5° | 53.6° |
| C16 | C14 | N3 | C10 | 175.0° | 88.0° |
| C16 | C14 | C15 | N5 | 135.8° | 80.5° |
| H25 | C14 | C15 | O5 | 168.4° | 140.5° |
| H25 | C14 | C16 | C17 | 54.7° | 56.5° |
| H25 | C14 | C16 | H26 | 175.3° | 63.6° |
| H25 | C14 | C16 | H27 | 65.9° | 176.4° |
| H25 | C14 | N3 | C10 | 53.9° | 32.0° |
| H25 | C14 | C15 | N5 | 12.8° | 39.5° |
| O5 | C15 | N5 | C21 | 0.5° | 4.2° |
| O5 | C15 | N5 | H38 | 179.5° | 175.9° |
| C17 | C16 | H26 | H27 | 118.1° | 120.0° |
| C16 | C17 | C18 | C19 | 125.7° | 120.0° |
| C16 | C17 | C18 | H28 | 117.3° | 120.0° |
| C16 | C17 | C19 | H28 | 117.1° | 120.0° |
| C16 | C17 | C18 | H29 | 180.0° | 176.4° |
| C16 | C17 | C18 | H30 | 60.0° | 56.4° |
| C16 | C17 | C18 | H31 | 60.0° | 63.7° |
| C16 | C17 | C19 | H32 | 180.0° | 60.0° |
| C16 | C17 | C19 | H33 | 60.0° | 180.0° |
| C16 | C17 | C19 | H34 | 60.0° | 59.9° |
| H26 | C16 | C17 | C18 | 68.2° | 53.5° |
| H26 | C16 | C17 | C19 | 166.3° | 66.5° |
| H26 | C16 | C17 | H28 | 49.1° | 173.6° |
| H27 | C16 | C17 | C18 | 50.6° | 173.6° |
| H27 | C16 | C17 | C19 | 74.9° | 53.6° |
| H27 | C16 | C17 | H28 | 167.9° | 66.4° |
| C18 | C17 | C19 | H28 | 117.0° | 120.0° |
| C17 | C18 | H29 | H30 | 120.0° | 120.0° |
| C17 | C18 | H29 | H31 | 120.0° | 120.0° |
| C17 | C18 | H30 | H31 | 120.0° | 120.0° |
| C18 | C17 | C19 | H32 | 54.1° | 180.0° |
| C18 | C17 | C19 | H33 | 65.9° | 60.0° |
| C18 | C17 | C19 | H34 | 174.1° | 60.0° |
| C19 | C17 | C18 | H29 | 54.3° | 63.7° |
| C19 | C17 | C18 | H30 | 174.3° | 176.3° |
| C19 | C17 | C18 | H31 | 65.7° | 56.3° |
| C17 | C19 | H32 | H33 | 120.0° | 120.0° |
| C17 | C19 | H32 | H34 | 120.0° | 120.0° |
| C17 | C19 | H33 | H34 | 120.0° | 120.1° |
| H28 | C17 | C18 | H29 | 62.7° | 56.3° |
| H28 | C17 | C18 | H30 | 57.3° | 63.7° |
| H28 | C17 | C18 | H31 | 177.3° | 176.3° |
| H28 | C17 | C19 | H32 | 62.9° | 60.0° |
| H28 | C17 | C19 | H33 | 177.1° | 60.0° |
| H28 | C17 | C19 | H34 | 57.1° | 180.0° |
| H29 | C18 | H30 | H31 | 120.0° | 120.0° |
| H32 | C19 | H33 | H34 | 120.0° | 119.9° |
| O6 | C24 | N6 | C23 | 179.6° | 179.9° |
| O6 | C24 | C23 | C22 | 31.8° | 0.1° |
| O6 | C24 | C23 | H41 | 151.4° | 120.0° |
| O6 | C24 | C23 | H42 | 87.8° | 120.0° |
| O6 | C24 | N6 | H43 | 0.0° | 180.0° |
| O6 | C24 | N6 | H44 | 180.0° | 0.1° |
| N6 | C24 | C23 | C22 | 147.8° | 180.0° |
| N6 | C24 | C23 | H41 | 28.2° | 60.0° |
| N6 | C24 | C23 | H42 | 92.6° | 60.0° |
| C24 | N6 | H43 | H44 | 180.0° | 179.9° |
| C24 | C23 | C22 | H41 | 119.6° | 120.0° |
| C24 | C23 | C22 | H42 | 119.6° | 119.9° |
| C24 | C23 | C22 | C21 | 173.6° | 180.0° |
| C24 | C23 | C22 | H39 | 66.0° | 60.0° |
| C24 | C23 | C22 | H40 | 53.2° | 60.1° |
| C24 | C23 | H41 | H42 | 121.2° | 120.0° |
| C23 | C24 | N6 | H43 | 179.6° | 0.1° |
| C23 | C24 | N6 | H44 | 0.4° | 180.0° |
| C23 | C22 | C21 | H39 | 120.4° | 120.0° |
| C23 | C22 | C21 | H40 | 120.4° | 120.0° |
| C23 | C22 | C21 | N5 | 145.1° | 65.0° |
| C23 | C22 | C21 | C20 | 90.1° | 175.0° |
| C23 | C22 | C21 | H37 | 28.4° | 55.0° |
| C23 | C22 | H39 | H40 | 118.9° | 120.1° |
| C22 | C23 | H41 | H42 | 121.2° | 120.1° |
| C22 | C21 | N5 | C20 | 119.7° | 120.0° |
| C22 | C21 | N5 | H37 | 116.1° | 120.0° |
| C22 | C21 | C20 | H37 | 118.3° | 120.0° |
| C22 | C21 | C20 | N4 | 103.9° | 120.1° |
| C22 | C21 | C20 | H35 | 76.1° | 60.0° |
| C22 | C21 | N5 | H38 | 44.8° | 25.0° |
| C21 | C22 | H39 | H40 | 118.9° | 120.0° |
| C21 | C22 | C23 | H41 | 54.0° | 60.0° |
| C21 | C22 | C23 | H42 | 66.8° | 60.0° |
| C22 | C21 | N5 | C15 | 135.2° | 155.0° |
| N5 | C21 | C20 | H37 | 124.4° | 120.0° |
| N5 | C21 | C20 | N4 | 138.8° | 0.0° |
| N5 | C21 | C20 | H35 | 41.2° | 180.0° |
| C21 | N5 | H38 | C15 | 180.0° | 179.9° |
| N5 | C21 | C22 | H39 | 94.5° | 55.0° |
| N5 | C21 | C22 | H40 | 24.8° | 175.0° |
| C21 | C20 | N4 | H35 | 180.0° | 179.9° |
| C21 | C20 | N4 | H36 | 180.0° | 180.0° |
| C20 | C21 | N5 | H38 | 74.9° | 95.0° |
| C20 | C21 | C22 | H39 | 30.3° | 65.0° |
| C20 | C21 | C22 | H40 | 149.6° | 55.0° |
| C20 | C21 | N5 | C15 | 105.1° | 85.0° |
| N4 | C20 | C21 | H37 | 14.4° | 120.0° |
| H35 | C20 | N4 | H36 | 0.0° | 0.1° |
| H35 | C20 | C21 | H37 | 165.6° | 60.0° |
| H37 | C21 | N5 | H38 | 160.9° | 145.0° |
| H37 | C21 | C22 | H39 | 148.8° | 175.0° |
| H37 | C21 | C22 | H40 | 91.9° | 65.0° |
| H37 | C21 | N5 | C15 | 19.1° | 35.0° |
| H39 | C22 | C23 | H41 | 174.4° | 180.0° |
| H39 | C22 | C23 | H42 | 53.6° | 59.9° |
| H40 | C22 | C23 | H41 | 66.4° | 59.9° |
| H40 | C22 | C23 | H42 | 172.8° | NaN° |
