PRD_000216
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| 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 | 1.45Å | |
| 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 | 1.24Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| 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 | 1.47Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| N3 | C15 | sing | 1.47Å | 1.44Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | sing | 1.43Å | 1.42Å | |
| C16 | O5 | sing | 1.43Å | 75.06Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | N4 | sing | 1.47Å | 1.46Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.37Å | 1.33Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| C20 | N5 | doub | 1.33Å | 1.33Å | |
| C20 | N6 | sing | 1.33Å | 1.33Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å | |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| O5 | H40 | sing | 0.97Å | 0.00Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.7° | 120.0° |
| O1 | C1 | N1 | 124.4° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 112.9° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.0° | 120.0° |
| N1 | C3 | C4 | 107.6° | 109.5° |
| N1 | C3 | C5 | 111.2° | 109.5° |
| N1 | C3 | H5 | 109.1° | 109.5° |
| C3 | N1 | C1 | 122.0° | 120.0° |
| H4 | N1 | C1 | 119.0° | 120.0° |
| C4 | C3 | C5 | 112.7° | 109.4° |
| C4 | C3 | H5 | 108.1° | 109.5° |
| C3 | C4 | O2 | 120.0° | 120.0° |
| C3 | C4 | N2 | 117.9° | 120.0° |
| C5 | C3 | H5 | 108.1° | 109.5° |
| C3 | C5 | C6 | 109.6° | 109.4° |
| C3 | C5 | H6 | 109.4° | 109.5° |
| C3 | C5 | H7 | 109.4° | 109.4° |
| O2 | C4 | N2 | 122.1° | 120.0° |
| C6 | C5 | H6 | 109.4° | 109.5° |
| C6 | C5 | H7 | 109.4° | 109.5° |
| C5 | C6 | C7 | 109.9° | 109.4° |
| C5 | C6 | C8 | 109.3° | 109.5° |
| C5 | C6 | H8 | 108.3° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 112.2° | 109.5° |
| C7 | C6 | H8 | 108.6° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.4° |
| C6 | C7 | H11 | 109.5° | 109.4° |
| C8 | C6 | H8 | 108.5° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.4° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.4° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | H15 | 120.2° | 120.0° |
| N2 | C9 | C10 | 105.4° | 109.5° |
| N2 | C9 | C11 | 111.2° | 109.5° |
| N2 | C9 | H16 | 111.0° | 109.5° |
| C9 | N2 | C4 | 119.6° | 120.0° |
| H15 | N2 | C4 | 120.2° | 120.0° |
| C10 | C9 | C11 | 109.1° | 109.5° |
| C10 | C9 | H16 | 109.9° | 109.5° |
| C9 | C10 | O3 | 120.3° | 120.0° |
| C9 | C10 | N3 | 116.7° | 120.0° |
| C11 | C9 | H16 | 110.1° | 109.5° |
| C9 | C11 | C12 | 117.0° | 109.5° |
| C9 | C11 | H17 | 107.6° | 109.5° |
| C9 | C11 | H18 | 107.5° | 109.4° |
| O3 | C10 | N3 | 123.0° | 120.0° |
| C12 | C11 | H17 | 107.6° | 109.5° |
| C12 | C11 | H18 | 107.6° | 109.5° |
| C11 | C12 | C13 | 108.5° | 109.5° |
| C11 | C12 | C14 | 109.7° | 109.4° |
| C11 | C12 | H19 | 109.3° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| C13 | C12 | C14 | 111.0° | 109.5° |
| C13 | C12 | H19 | 109.0° | 109.5° |
| C12 | C13 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.4° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C14 | C12 | H19 | 109.3° | 109.4° |
| C12 | C14 | H23 | 109.5° | 109.5° |
| C12 | C14 | H24 | 109.5° | 109.5° |
| C12 | C14 | H25 | 109.5° | 109.4° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| H20 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H23 | C14 | H25 | 109.4° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| C15 | N3 | H26 | 119.4° | 120.0° |
| N3 | C15 | C16 | 112.9° | 109.5° |
| N3 | C15 | C17 | 109.6° | 109.4° |
| N3 | C15 | H27 | 108.6° | 109.5° |
| C15 | N3 | C10 | 121.1° | 120.0° |
| H26 | N3 | C10 | 119.4° | 120.0° |
| C16 | C15 | C17 | 110.9° | 109.5° |
| C16 | C15 | H27 | 107.3° | 109.5° |
| C15 | C16 | O4 | 110.0° | 109.5° |
| C15 | C16 | O5 | 129.8° | 109.5° |
| C15 | C16 | H28 | 117.4° | 109.4° |
| C17 | C15 | H27 | 107.5° | 109.5° |
| C15 | C17 | C18 | 112.7° | 109.4° |
| C15 | C17 | H30 | 108.7° | 109.5° |
| C15 | C17 | H31 | 108.7° | 109.4° |
| O4 | C16 | O5 | 29.5° | 109.5° |
| O4 | C16 | H28 | 120.0° | 109.6° |
| C16 | O4 | H29 | 109.5° | 114.1° |
| O5 | C16 | H28 | 90.5° | 109.4° |
| C16 | O5 | H40 | 90.0° | 114.0° |
| C18 | C17 | H30 | 108.7° | 109.5° |
| C18 | C17 | H31 | 108.6° | 109.5° |
| C17 | C18 | C19 | 110.5° | 109.4° |
| C17 | C18 | H32 | 109.2° | 109.5° |
| C17 | C18 | H33 | 109.2° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| C19 | C18 | H32 | 109.2° | 109.5° |
| C19 | C18 | H33 | 109.2° | 109.4° |
| C18 | C19 | N4 | 110.7° | 109.5° |
| C18 | C19 | H34 | 109.2° | 109.6° |
| C18 | C19 | H35 | 109.2° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| N4 | C19 | H34 | 109.2° | 109.4° |
| N4 | C19 | H35 | 109.2° | 109.5° |
| C19 | N4 | C20 | 124.2° | 120.0° |
| C19 | N4 | H36 | 117.9° | 120.0° |
| H34 | C19 | H35 | 109.5° | 109.4° |
| C20 | N4 | H36 | 117.9° | 120.0° |
| N4 | C20 | N5 | 120.3° | 120.0° |
| N4 | C20 | N6 | 119.3° | 120.0° |
| N5 | C20 | N6 | 120.4° | 120.0° |
| C20 | N5 | H37 | 120.0° | 120.0° |
| C20 | N5 | H41 | 120.0° | 120.1° |
| C20 | N6 | H38 | 120.0° | 120.0° |
| C20 | N6 | H39 | 120.0° | 120.0° |
| H37 | N5 | H41 | 120.0° | 119.9° |
| H38 | N6 | H39 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.0° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 119.9° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 5.4° | 0.0° |
| O1 | C1 | N1 | H4 | 174.6° | 179.9° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | N1 | C3 | 176.7° | 179.7° |
| C2 | C1 | N1 | H4 | 3.3° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.0° | 179.7° |
| H2 | C2 | C1 | N1 | 62.0° | 59.8° |
| H3 | C2 | C1 | N1 | 58.0° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 122.9° | 120.0° |
| N1 | C3 | C4 | H5 | 117.7° | 120.0° |
| N1 | C3 | C5 | H5 | 119.7° | 120.1° |
| N1 | C3 | C4 | O2 | 105.9° | 19.9° |
| N1 | C3 | C5 | C6 | 84.4° | 65.0° |
| N1 | C3 | C5 | H6 | 35.7° | 55.0° |
| N1 | C3 | C5 | H7 | 155.6° | 175.0° |
| N1 | C3 | C4 | N2 | 73.3° | 160.0° |
| H4 | N1 | C3 | C4 | 53.0° | 120.1° |
| H4 | N1 | C3 | C5 | 70.8° | 120.0° |
| H4 | N1 | C3 | H5 | 170.1° | 0.1° |
| C4 | C3 | C5 | H5 | 119.4° | 120.0° |
| C3 | C4 | O2 | N2 | 179.2° | 179.9° |
| C4 | C3 | C5 | C6 | 154.7° | 175.0° |
| C4 | C3 | C5 | H6 | 85.3° | 65.0° |
| C4 | C3 | C5 | H7 | 34.7° | 55.0° |
| C3 | C4 | N2 | C9 | 177.5° | 180.0° |
| C3 | C4 | N2 | H15 | 2.5° | 0.1° |
| C4 | C3 | N1 | C1 | 127.0° | 60.0° |
| C5 | C3 | C4 | O2 | 131.2° | 100.1° |
| C3 | C5 | C6 | H6 | 120.0° | 120.0° |
| C3 | C5 | C6 | H7 | 120.0° | 119.9° |
| C3 | C5 | H6 | H7 | 119.9° | 119.9° |
| C3 | C5 | C6 | C7 | 159.8° | 175.0° |
| C3 | C5 | C6 | C8 | 76.7° | 65.0° |
| C3 | C5 | C6 | H8 | 41.3° | 55.0° |
| C5 | C3 | N1 | C1 | 109.2° | 60.0° |
| C5 | C3 | C4 | N2 | 49.6° | 80.1° |
| H5 | C3 | C4 | O2 | 11.8° | 139.9° |
| H5 | C3 | C5 | C6 | 35.3° | 55.0° |
| H5 | C3 | C5 | H6 | 155.3° | 175.1° |
| H5 | C3 | C5 | H7 | 84.7° | 65.0° |
| H5 | C3 | N1 | C1 | 9.9° | 180.0° |
| H5 | C3 | C4 | N2 | 169.0° | 39.9° |
| O2 | C4 | N2 | C9 | 1.7° | 0.1° |
| O2 | C4 | N2 | H15 | 178.3° | 180.0° |
| C6 | C5 | H6 | H7 | 120.0° | 120.1° |
| C5 | C6 | C7 | C8 | 121.8° | 120.0° |
| C5 | C6 | C7 | H8 | 118.3° | 120.0° |
| C5 | C6 | C8 | H8 | 117.9° | 120.0° |
| C5 | C6 | C7 | H9 | 180.0° | 60.0° |
| C5 | C6 | C7 | H10 | 60.0° | 180.0° |
| C5 | C6 | C7 | H11 | 60.0° | 60.0° |
| C5 | C6 | C8 | H12 | 180.0° | 60.1° |
| C5 | C6 | C8 | H13 | 60.0° | 60.0° |
| C5 | C6 | C8 | H14 | 60.0° | 180.0° |
| H6 | C5 | C6 | C7 | 39.8° | 55.0° |
| H6 | C5 | C6 | C8 | 163.3° | 175.0° |
| H6 | C5 | C6 | H8 | 78.7° | 65.0° |
| H7 | C5 | C6 | C7 | 80.2° | 65.0° |
| H7 | C5 | C6 | C8 | 43.3° | 55.0° |
| H7 | C5 | C6 | H8 | 161.3° | 175.0° |
| C7 | C6 | C8 | H8 | 120.0° | 120.1° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 119.9° |
| C7 | C6 | C8 | H12 | 57.9° | 59.9° |
| C7 | C6 | C8 | H13 | 62.2° | 180.0° |
| C7 | C6 | C8 | H14 | 177.9° | 60.0° |
| C8 | C6 | C7 | H9 | 58.2° | 60.0° |
| C8 | C6 | C7 | H10 | 178.2° | 60.1° |
| C8 | C6 | C7 | H11 | 61.8° | 180.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.1° |
| C6 | C8 | H12 | H14 | 120.0° | 119.9° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 61.7° | 180.0° |
| H8 | C6 | C7 | H10 | 58.3° | 60.0° |
| H8 | C6 | C7 | H11 | 178.3° | 60.0° |
| H8 | C6 | C8 | H12 | 62.1° | 180.0° |
| H8 | C6 | C8 | H13 | 177.9° | 59.9° |
| H8 | C6 | C8 | H14 | 57.9° | 60.0° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C4 | 180.0° | 180.0° |
| N2 | C9 | C10 | C11 | 119.5° | 120.0° |
| N2 | C9 | C10 | H16 | 119.6° | 120.0° |
| N2 | C9 | C11 | H16 | 123.5° | 120.0° |
| N2 | C9 | C10 | O3 | 32.9° | 0.0° |
| N2 | C9 | C11 | C12 | 71.5° | 65.0° |
| N2 | C9 | C11 | H17 | 49.6° | 55.0° |
| N2 | C9 | C11 | H18 | 167.5° | 175.0° |
| N2 | C9 | C10 | N3 | 144.9° | 180.0° |
| H15 | N2 | C9 | C10 | 110.6° | 25.0° |
| H15 | N2 | C9 | C11 | 7.6° | 95.0° |
| H15 | N2 | C9 | H16 | 130.6° | 145.0° |
| C10 | C9 | C11 | H16 | 120.7° | 120.0° |
| C9 | C10 | O3 | N3 | 177.6° | 180.0° |
| C10 | C9 | C11 | C12 | 172.7° | 175.0° |
| C10 | C9 | C11 | H17 | 66.2° | 64.9° |
| C10 | C9 | C11 | H18 | 51.6° | 55.0° |
| C9 | C10 | N3 | C15 | 179.8° | 180.0° |
| C9 | C10 | N3 | H26 | 0.2° | 0.0° |
| C10 | C9 | N2 | C4 | 69.5° | 155.0° |
| C11 | C9 | C10 | O3 | 86.7° | 120.0° |
| C9 | C11 | C12 | H17 | 121.1° | 120.0° |
| C9 | C11 | C12 | H18 | 121.0° | 120.0° |
| C9 | C11 | H17 | H18 | 116.6° | 119.9° |
| C9 | C11 | C12 | C13 | 178.7° | 175.0° |
| C9 | C11 | C12 | C14 | 59.9° | 65.0° |
| C9 | C11 | C12 | H19 | 59.9° | 55.0° |
| C11 | C9 | C10 | N3 | 95.5° | 60.0° |
| C11 | C9 | N2 | C4 | 172.4° | 85.0° |
| H16 | C9 | C10 | O3 | 152.5° | 120.0° |
| H16 | C9 | C11 | C12 | 52.0° | 55.0° |
| H16 | C9 | C11 | H17 | 173.1° | 175.1° |
| H16 | C9 | C11 | H18 | 69.0° | 65.0° |
| H16 | C9 | C10 | N3 | 25.3° | 60.0° |
| H16 | C9 | N2 | C4 | 49.4° | 35.0° |
| O3 | C10 | N3 | C15 | 2.1° | 0.0° |
| O3 | C10 | N3 | H26 | 177.9° | 180.0° |
| C12 | C11 | H17 | H18 | 116.6° | 120.0° |
| C11 | C12 | C13 | C14 | 120.6° | 120.0° |
| C11 | C12 | C13 | H19 | 119.0° | 120.0° |
| C11 | C12 | C14 | H19 | 119.9° | 119.9° |
| C11 | C12 | C13 | H20 | 180.0° | 60.0° |
| C11 | C12 | C13 | H21 | 60.0° | 180.0° |
| C11 | C12 | C13 | H22 | 60.0° | 60.0° |
| C11 | C12 | C14 | H23 | 180.0° | 60.1° |
| C11 | C12 | C14 | H24 | 60.0° | 60.0° |
| C11 | C12 | C14 | H25 | 60.0° | 180.0° |
| H17 | C11 | C12 | C13 | 57.6° | 55.0° |
| H17 | C11 | C12 | C14 | 179.0° | 175.0° |
| H17 | C11 | C12 | H19 | 61.1° | 65.1° |
| H18 | C11 | C12 | C13 | 60.3° | 65.0° |
| H18 | C11 | C12 | C14 | 61.1° | 55.0° |
| H18 | C11 | C12 | H19 | 179.0° | 175.0° |
| C13 | C12 | C14 | H19 | 120.3° | 120.1° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H22 | 120.0° | 120.0° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| C13 | C12 | C14 | H23 | 60.1° | 59.9° |
| C13 | C12 | C14 | H24 | 59.9° | 180.0° |
| C13 | C12 | C14 | H25 | 179.9° | 60.0° |
| C14 | C12 | C13 | H20 | 59.4° | 59.9° |
| C14 | C12 | C13 | H21 | 179.4° | 60.0° |
| C14 | C12 | C13 | H22 | 60.6° | 180.0° |
| C12 | C14 | H23 | H24 | 120.0° | 120.0° |
| C12 | C14 | H23 | H25 | 120.0° | 120.0° |
| C12 | C14 | H24 | H25 | 120.0° | 119.9° |
| H19 | C12 | C13 | H20 | 61.0° | 180.0° |
| H19 | C12 | C13 | H21 | 59.0° | 60.0° |
| H19 | C12 | C13 | H22 | 179.0° | 60.0° |
| H19 | C12 | C14 | H23 | 60.1° | 180.0° |
| H19 | C12 | C14 | H24 | 179.9° | 59.9° |
| H19 | C12 | C14 | H25 | 59.9° | 60.0° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
| H23 | C14 | H24 | H25 | 119.9° | 120.0° |
| C15 | N3 | H26 | C10 | 180.0° | 180.0° |
| N3 | C15 | C16 | C17 | 123.4° | 120.0° |
| N3 | C15 | C16 | H27 | 119.5° | 120.0° |
| N3 | C15 | C17 | H27 | 117.8° | 120.0° |
| N3 | C15 | C16 | O4 | 54.7° | 180.0° |
| N3 | C15 | C16 | O5 | 80.2° | 60.0° |
| N3 | C15 | C16 | H28 | 163.4° | 60.0° |
| N3 | C15 | C17 | C18 | 67.0° | 65.1° |
| N3 | C15 | C17 | H30 | 53.5° | 55.0° |
| N3 | C15 | C17 | H31 | 172.6° | 175.0° |
| H26 | N3 | C15 | C16 | 69.6° | 95.0° |
| H26 | N3 | C15 | C17 | 54.6° | 25.0° |
| H26 | N3 | C15 | H27 | 171.7° | 145.0° |
| C16 | C15 | C17 | H27 | 117.0° | 120.0° |
| C15 | C16 | O4 | O5 | 137.7° | 120.0° |
| C15 | C16 | O4 | H28 | 140.8° | 120.0° |
| C15 | C16 | O5 | H28 | 127.3° | 119.9° |
| C15 | C16 | O4 | H29 | 180.0° | 60.0° |
| C16 | C15 | C17 | C18 | 167.8° | 175.0° |
| C16 | C15 | C17 | H30 | 71.8° | 65.0° |
| C16 | C15 | C17 | H31 | 47.3° | 55.0° |
| C15 | C16 | O5 | H40 | 90.0° | 180.0° |
| C16 | C15 | N3 | C10 | 110.4° | 85.0° |
| C17 | C15 | C16 | O4 | 178.1° | 60.0° |
| C17 | C15 | C16 | O5 | 156.4° | 60.0° |
| C17 | C15 | C16 | H28 | 40.0° | 179.9° |
| C15 | C17 | C18 | H30 | 120.5° | 120.0° |
| C15 | C17 | C18 | H31 | 120.5° | 119.9° |
| C15 | C17 | H30 | H31 | 118.6° | 120.0° |
| C15 | C17 | C18 | C19 | 173.3° | 180.0° |
| C15 | C17 | C18 | H32 | 66.6° | 60.0° |
| C15 | C17 | C18 | H33 | 53.1° | 60.1° |
| C17 | C15 | N3 | C10 | 125.4° | 155.0° |
| H27 | C15 | C16 | O4 | 64.9° | 60.0° |
| H27 | C15 | C16 | O5 | 39.3° | 180.0° |
| H27 | C15 | C16 | H28 | 77.1° | 60.1° |
| H27 | C15 | C17 | C18 | 50.8° | 55.0° |
| H27 | C15 | C17 | H30 | 171.3° | 175.0° |
| H27 | C15 | C17 | H31 | 69.6° | 65.0° |
| H27 | C15 | N3 | C10 | 8.3° | 35.0° |
| O4 | C16 | O5 | H28 | 177.3° | 120.1° |
| O4 | C16 | O5 | H40 | 90.0° | 60.0° |
| O5 | C16 | O4 | H29 | 42.3° | 60.0° |
| H28 | C16 | O4 | H29 | 39.2° | 180.0° |
| H28 | C16 | O5 | H40 | 90.0° | 60.1° |
| C18 | C17 | H30 | H31 | 118.5° | 120.0° |
| C17 | C18 | C19 | H32 | 120.2° | 120.0° |
| C17 | C18 | C19 | H33 | 120.1° | 119.9° |
| C17 | C18 | H32 | H33 | 119.5° | 120.0° |
| C17 | C18 | C19 | N4 | 176.8° | 180.0° |
| C17 | C18 | C19 | H34 | 63.0° | 59.9° |
| C17 | C18 | C19 | H35 | 56.6° | 60.0° |
| H30 | C17 | C18 | C19 | 52.8° | 60.0° |
| H30 | C17 | C18 | H32 | 172.9° | 180.0° |
| H30 | C17 | C18 | H33 | 67.4° | 59.9° |
| H31 | C17 | C18 | C19 | 66.2° | 60.1° |
| H31 | C17 | C18 | H32 | 53.9° | 60.0° |
| H31 | C17 | C18 | H33 | 173.6° | 180.0° |
| C19 | C18 | H32 | H33 | 119.5° | 120.0° |
| C18 | C19 | N4 | H34 | 120.2° | 120.1° |
| C18 | C19 | N4 | H35 | 120.2° | 120.0° |
| C18 | C19 | H34 | H35 | 119.4° | 120.0° |
| C18 | C19 | N4 | C20 | 174.7° | 179.9° |
| C18 | C19 | N4 | H36 | 5.3° | 0.0° |
| H32 | C18 | C19 | N4 | 56.6° | 60.0° |
| H32 | C18 | C19 | H34 | 176.8° | 180.0° |
| H32 | C18 | C19 | H35 | 63.6° | 60.0° |
| H33 | C18 | C19 | N4 | 63.1° | 60.1° |
| H33 | C18 | C19 | H34 | 57.1° | 60.0° |
| H33 | C18 | C19 | H35 | 176.7° | 180.0° |
| N4 | C19 | H34 | H35 | 119.4° | 119.9° |
| C19 | N4 | C20 | H36 | 180.0° | 179.9° |
| C19 | N4 | C20 | N5 | 0.3° | 0.0° |
| C19 | N4 | C20 | N6 | 178.7° | 180.0° |
| H34 | C19 | N4 | C20 | 65.1° | 60.0° |
| H34 | C19 | N4 | H36 | 114.9° | 120.1° |
| H35 | C19 | N4 | C20 | 54.5° | 60.0° |
| H35 | C19 | N4 | H36 | 125.5° | 120.0° |
| N4 | C20 | N5 | N6 | 179.0° | 179.9° |
| N4 | C20 | N5 | H37 | 179.0° | 0.0° |
| N4 | C20 | N6 | H38 | 179.0° | 0.1° |
| N4 | C20 | N6 | H39 | 1.0° | 180.0° |
| N4 | C20 | N5 | H41 | 1.0° | 180.0° |
| H36 | N4 | C20 | N5 | 179.8° | 180.0° |
| H36 | N4 | C20 | N6 | 1.2° | 0.1° |
| C20 | N5 | H37 | H41 | 180.0° | 180.0° |
| N5 | C20 | N6 | H38 | 0.0° | 180.0° |
| N5 | C20 | N6 | H39 | 180.0° | 0.0° |
| N6 | C20 | N5 | H37 | 0.0° | 179.9° |
| C20 | N6 | H38 | H39 | 180.0° | 179.9° |
| N6 | C20 | N5 | H41 | 180.0° | 0.1° |
