PRD_000300
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| 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 | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C8 | sing | 1.53Å | 1.49Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| 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 | 1.46Å | 1.46Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| 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 | 1.51Å | 1.52Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.25Å | |
| C13 | O5 | sing | 1.34Å | 1.25Å | |
| O5 | H21 | sing | 0.97Å | 0.95Å | |
| N3 | C14 | sing | 1.47Å | 1.47Å | |
| N3 | C18 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C16 | sing | 1.54Å | 1.52Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | O6 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.55Å | 1.50Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.55Å | 1.52Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | O7 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | N4 | sing | 1.46Å | 1.46Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | O9 | doub | 1.21Å | 1.25Å | |
| C22 | O8 | sing | 1.34Å | 1.25Å | |
| O8 | H36 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C10 | N3 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.4° | 120.0° |
| O1 | C1 | N1 | 121.1° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | N1 | 120.6° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C3 | N1 | H4 | 119.2° | 120.0° |
| N1 | C3 | C4 | 112.9° | 109.5° |
| N1 | C3 | C5 | 109.2° | 109.5° |
| N1 | C3 | H5 | 108.9° | 109.5° |
| C3 | N1 | C1 | 121.6° | 120.0° |
| H4 | N1 | C1 | 119.2° | 120.0° |
| C4 | C3 | C5 | 109.8° | 109.4° |
| C4 | C3 | H5 | 108.1° | 109.4° |
| C3 | C4 | O2 | 120.9° | 120.0° |
| C3 | C4 | N2 | 115.9° | 120.1° |
| C5 | C3 | H5 | 107.9° | 109.5° |
| C3 | C5 | C6 | 109.5° | 109.4° |
| C3 | C5 | C7 | 110.4° | 109.5° |
| C3 | C5 | H6 | 108.9° | 109.5° |
| O2 | C4 | N2 | 123.2° | 120.0° |
| C6 | C5 | C7 | 109.8° | 109.5° |
| C6 | C5 | H6 | 109.1° | 109.4° |
| C5 | C6 | C8 | 113.1° | 109.5° |
| C5 | C6 | H7 | 108.6° | 109.4° |
| C5 | C6 | H8 | 108.5° | 109.5° |
| C7 | C5 | H6 | 109.1° | 109.5° |
| C5 | C7 | H9 | 109.5° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.4° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C8 | C6 | H7 | 108.5° | 109.4° |
| C8 | C6 | H8 | 108.6° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.4° |
| C6 | C8 | H13 | 109.5° | 109.4° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.4° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | H15 | 118.7° | 120.0° |
| N2 | C9 | C10 | 112.0° | 109.5° |
| N2 | C9 | C11 | 109.7° | 109.5° |
| N2 | C9 | H16 | 109.1° | 109.5° |
| C9 | N2 | C4 | 122.6° | 120.0° |
| H15 | N2 | C4 | 118.7° | 120.0° |
| C10 | C9 | C11 | 109.4° | 109.4° |
| C10 | C9 | H16 | 108.3° | 109.4° |
| C9 | C10 | O3 | 120.7° | 120.0° |
| C9 | C10 | N3 | 117.2° | 120.0° |
| C11 | C9 | H16 | 108.3° | 109.5° |
| C9 | C11 | C12 | 114.4° | 109.4° |
| C9 | C11 | H17 | 108.2° | 109.5° |
| C9 | C11 | H18 | 108.2° | 109.5° |
| O3 | C10 | N3 | 122.0° | 120.0° |
| C12 | C11 | H17 | 108.2° | 109.4° |
| C12 | C11 | H18 | 108.2° | 109.5° |
| C11 | C12 | C13 | 112.7° | 109.5° |
| C11 | C12 | H19 | 108.7° | 109.4° |
| C11 | C12 | H20 | 108.7° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| C13 | C12 | H19 | 108.7° | 109.4° |
| C13 | C12 | H20 | 108.7° | 109.5° |
| C12 | C13 | O4 | 118.9° | 120.0° |
| C12 | C13 | O5 | 118.1° | 120.0° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| O4 | C13 | O5 | 122.9° | 120.0° |
| C13 | O5 | H21 | 109.5° | 117.0° |
| C14 | N3 | C18 | 110.8° | 108.7° |
| N3 | C14 | C15 | 114.0° | 109.9° |
| N3 | C14 | C16 | 102.8° | 107.3° |
| N3 | C14 | H22 | 109.7° | 109.9° |
| C14 | N3 | C10 | 123.3° | 125.7° |
| N3 | C18 | C17 | 102.8° | 104.7° |
| N3 | C18 | H27 | 111.1° | 110.4° |
| N3 | C18 | H28 | 111.1° | 110.4° |
| C18 | N3 | C10 | 123.9° | 125.6° |
| C15 | C14 | C16 | 112.4° | 109.9° |
| C15 | C14 | H22 | 108.8° | 109.9° |
| C14 | C15 | O6 | 120.8° | 119.9° |
| C14 | C15 | N4 | 116.1° | 120.0° |
| C16 | C14 | H22 | 108.9° | 110.0° |
| C14 | C16 | C17 | 102.1° | 102.9° |
| C14 | C16 | H23 | 111.3° | 110.7° |
| C14 | C16 | H24 | 111.3° | 110.8° |
| O6 | C15 | N4 | 123.0° | 120.1° |
| C17 | C16 | H23 | 111.3° | 110.7° |
| C17 | C16 | H24 | 111.3° | 110.7° |
| C16 | C17 | C18 | 103.6° | 101.5° |
| C16 | C17 | H25 | 110.9° | 111.0° |
| C16 | C17 | H26 | 110.9° | 111.0° |
| H23 | C16 | H24 | 109.5° | 110.8° |
| C18 | C17 | H25 | 110.9° | 111.3° |
| C18 | C17 | H26 | 110.9° | 110.9° |
| C17 | C18 | H27 | 111.1° | 110.5° |
| C17 | C18 | H28 | 111.1° | 110.3° |
| H25 | C17 | H26 | 109.4° | 110.9° |
| H27 | C18 | H28 | 109.5° | 110.4° |
| O7 | C19 | C20 | 110.3° | 109.5° |
| O7 | C19 | H29 | 109.3° | 109.4° |
| O7 | C19 | H30 | 109.3° | 109.5° |
| C19 | O7 | H32 | 109.5° | 114.0° |
| C20 | C19 | H29 | 109.2° | 109.5° |
| C20 | C19 | H30 | 109.3° | 109.5° |
| C19 | C20 | N4 | 112.9° | 109.5° |
| C19 | C20 | C21 | 107.6° | 109.5° |
| C19 | C20 | H33 | 108.4° | 109.5° |
| H29 | C19 | H30 | 109.4° | 109.4° |
| C20 | N4 | H31 | 118.5° | 120.0° |
| N4 | C20 | C21 | 110.4° | 109.5° |
| N4 | C20 | H33 | 109.1° | 109.4° |
| C20 | N4 | C15 | 122.9° | 120.0° |
| H31 | N4 | C15 | 118.5° | 120.0° |
| C21 | C20 | H33 | 108.3° | 109.5° |
| C20 | C21 | C22 | 112.6° | 109.5° |
| C20 | C21 | H34 | 108.7° | 109.4° |
| C20 | C21 | H35 | 108.7° | 109.4° |
| C22 | C21 | H34 | 108.7° | 109.5° |
| C22 | C21 | H35 | 108.7° | 109.5° |
| C21 | C22 | O9 | 118.3° | 120.0° |
| C21 | C22 | O8 | 118.3° | 120.0° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| O9 | C22 | O8 | 123.4° | 120.0° |
| C22 | O8 | H36 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.8° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.1° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 152.3° | 0.0° |
| O1 | C1 | N1 | H4 | 27.6° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 119.9° | 120.0° |
| C2 | C1 | N1 | C3 | 28.9° | 179.7° |
| C2 | C1 | N1 | H4 | 151.2° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.9° | 179.7° |
| H2 | C2 | C1 | N1 | 58.8° | 59.7° |
| H3 | C2 | C1 | N1 | 61.1° | 60.2° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 122.1° | 120.0° |
| N1 | C3 | C4 | H5 | 120.5° | 120.0° |
| N1 | C3 | C5 | H5 | 118.2° | 120.0° |
| N1 | C3 | C4 | O2 | 41.9° | 20.0° |
| N1 | C3 | C5 | C6 | 161.5° | 60.0° |
| N1 | C3 | C5 | C7 | 77.5° | 180.0° |
| N1 | C3 | C5 | H6 | 42.3° | 60.0° |
| N1 | C3 | C4 | N2 | 138.1° | 160.0° |
| H4 | N1 | C3 | C4 | 116.0° | 120.0° |
| H4 | N1 | C3 | C5 | 6.4° | 120.0° |
| H4 | N1 | C3 | H5 | 124.0° | 0.0° |
| C4 | C3 | C5 | H5 | 117.6° | 119.9° |
| C3 | C4 | O2 | N2 | 179.9° | 180.0° |
| C4 | C3 | C5 | C6 | 74.2° | 180.0° |
| C4 | C3 | C5 | C7 | 46.8° | 59.9° |
| C4 | C3 | C5 | H6 | 166.5° | 60.1° |
| C3 | C4 | N2 | C9 | 179.4° | 180.0° |
| C3 | C4 | N2 | H15 | 0.6° | 0.0° |
| C4 | C3 | N1 | C1 | 64.0° | 60.0° |
| C5 | C3 | C4 | O2 | 80.1° | 100.1° |
| C3 | C5 | C6 | C7 | 121.4° | 120.0° |
| C3 | C5 | C6 | H6 | 119.1° | 119.9° |
| C3 | C5 | C7 | H6 | 119.6° | 120.0° |
| C3 | C5 | C6 | C8 | 167.3° | 175.0° |
| C3 | C5 | C6 | H7 | 72.2° | 65.1° |
| C3 | C5 | C6 | H8 | 46.7° | 55.0° |
| C3 | C5 | C7 | H9 | 180.0° | 60.0° |
| C3 | C5 | C7 | H10 | 60.0° | 180.0° |
| C3 | C5 | C7 | H11 | 60.0° | 60.0° |
| C5 | C3 | N1 | C1 | 173.6° | 60.0° |
| C5 | C3 | C4 | N2 | 99.8° | 80.0° |
| H5 | C3 | C4 | O2 | 162.4° | 140.0° |
| H5 | C3 | C5 | C6 | 43.3° | 60.1° |
| H5 | C3 | C5 | C7 | 164.4° | 60.0° |
| H5 | C3 | C5 | H6 | 75.9° | 180.0° |
| H5 | C3 | N1 | C1 | 56.0° | 180.0° |
| H5 | C3 | C4 | N2 | 17.7° | 40.0° |
| O2 | C4 | N2 | C9 | 0.7° | 0.0° |
| O2 | C4 | N2 | H15 | 179.3° | 180.0° |
| C6 | C5 | C7 | H6 | 119.5° | 120.0° |
| C5 | C6 | C8 | H7 | 120.6° | 119.9° |
| C5 | C6 | C8 | H8 | 120.5° | 120.1° |
| C5 | C6 | H7 | H8 | 118.3° | 120.1° |
| C6 | C5 | C7 | H9 | 59.1° | 60.0° |
| C6 | C5 | C7 | H10 | 179.1° | 60.0° |
| C6 | C5 | C7 | H11 | 60.9° | 180.0° |
| C5 | C6 | C8 | H12 | 180.0° | 179.9° |
| C5 | C6 | C8 | H13 | 60.0° | 60.0° |
| C5 | C6 | C8 | H14 | 60.0° | 60.0° |
| C7 | C5 | C6 | C8 | 71.3° | 65.0° |
| C7 | C5 | C6 | H7 | 49.2° | 55.0° |
| C7 | C5 | C6 | H8 | 168.1° | 175.0° |
| C5 | C7 | H9 | H10 | 120.0° | 120.0° |
| C5 | C7 | H9 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| H6 | C5 | C6 | C8 | 48.1° | 55.1° |
| H6 | C5 | C6 | H7 | 168.7° | 175.0° |
| H6 | C5 | C6 | H8 | 72.4° | 65.0° |
| H6 | C5 | C7 | H9 | 60.4° | NaN° |
| H6 | C5 | C7 | H10 | 59.6° | 60.0° |
| H6 | C5 | C7 | H11 | 179.6° | 60.0° |
| C8 | C6 | H7 | H8 | 118.3° | 120.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H7 | C6 | C8 | H12 | 59.5° | 60.0° |
| H7 | C6 | C8 | H13 | 179.4° | 180.0° |
| H7 | C6 | C8 | H14 | 60.6° | 60.0° |
| H8 | C6 | C8 | H12 | 59.4° | 60.0° |
| H8 | C6 | C8 | H13 | 60.5° | 60.0° |
| H8 | C6 | C8 | H14 | 179.5° | 180.0° |
| 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 | 121.8° | 120.0° |
| N2 | C9 | C10 | H16 | 120.4° | 120.0° |
| N2 | C9 | C11 | H16 | 119.0° | 120.1° |
| N2 | C9 | C10 | O3 | 31.5° | 27.3° |
| N2 | C9 | C11 | C12 | 70.0° | 66.0° |
| N2 | C9 | C11 | H17 | 50.7° | 53.9° |
| N2 | C9 | C11 | H18 | 169.2° | 174.0° |
| N2 | C9 | C10 | N3 | 147.8° | 152.6° |
| H15 | N2 | C9 | C10 | 71.6° | 25.0° |
| H15 | N2 | C9 | C11 | 50.0° | 95.0° |
| H15 | N2 | C9 | H16 | 168.5° | 145.0° |
| C10 | C9 | C11 | H16 | 117.8° | 119.9° |
| C9 | C10 | O3 | N3 | 179.3° | 179.9° |
| C10 | C9 | C11 | C12 | 166.8° | 174.0° |
| C10 | C9 | C11 | H17 | 72.5° | 66.1° |
| C10 | C9 | C11 | H18 | 46.1° | 54.0° |
| C9 | C10 | N3 | C14 | 179.8° | 175.4° |
| C9 | C10 | N3 | C18 | 17.5° | 4.2° |
| C10 | C9 | N2 | C4 | 108.4° | 155.0° |
| C11 | C9 | C10 | O3 | 90.3° | 92.7° |
| C9 | C11 | C12 | H17 | 120.7° | 120.0° |
| C9 | C11 | C12 | H18 | 120.7° | 120.0° |
| C9 | C11 | H17 | H18 | 117.7° | 120.1° |
| C9 | C11 | C12 | C13 | 162.2° | 180.0° |
| C9 | C11 | C12 | H19 | 77.3° | 60.1° |
| C9 | C11 | C12 | H20 | 41.8° | 60.0° |
| C11 | C9 | N2 | C4 | 130.0° | 85.0° |
| C11 | C9 | C10 | N3 | 90.3° | 87.4° |
| H16 | C9 | C10 | O3 | 151.9° | 147.4° |
| H16 | C9 | C11 | C12 | 49.0° | 54.1° |
| H16 | C9 | C11 | H17 | 169.7° | 174.0° |
| H16 | C9 | C11 | H18 | 71.7° | 66.0° |
| H16 | C9 | N2 | C4 | 11.5° | 35.0° |
| H16 | C9 | C10 | N3 | 27.4° | 32.6° |
| O3 | C10 | N3 | C14 | 0.8° | 4.5° |
| O3 | C10 | N3 | C18 | 161.9° | 175.8° |
| C12 | C11 | H17 | H18 | 117.8° | 120.0° |
| C11 | C12 | C13 | H19 | 120.5° | 119.9° |
| C11 | C12 | C13 | H20 | 120.5° | 120.0° |
| C11 | C12 | H19 | H20 | 118.5° | 120.0° |
| C11 | C12 | C13 | O4 | 46.7° | 0.1° |
| C11 | C12 | C13 | O5 | 133.7° | 180.0° |
| H17 | C11 | C12 | C13 | 41.5° | 60.0° |
| H17 | C11 | C12 | H19 | 162.0° | 180.0° |
| H17 | C11 | C12 | H20 | 79.0° | 60.0° |
| H18 | C11 | C12 | C13 | 77.0° | 60.0° |
| H18 | C11 | C12 | H19 | 43.4° | 60.0° |
| H18 | C11 | C12 | H20 | 162.5° | 180.0° |
| C13 | C12 | H19 | H20 | 118.5° | 120.0° |
| C12 | C13 | O4 | O5 | 179.6° | 179.9° |
| C12 | C13 | O5 | H21 | 179.6° | 180.0° |
| H19 | C12 | C13 | O4 | 73.8° | 120.0° |
| H19 | C12 | C13 | O5 | 105.8° | 60.1° |
| H20 | C12 | C13 | O4 | 167.2° | 120.0° |
| H20 | C12 | C13 | O5 | 13.2° | 59.9° |
| O4 | C13 | O5 | H21 | 0.0° | 0.1° |
| C14 | N3 | C18 | C10 | 164.6° | 179.7° |
| N3 | C14 | C15 | C16 | 116.5° | 117.8° |
| N3 | C14 | C15 | H22 | 122.8° | 121.0° |
| N3 | C14 | C16 | H22 | 116.3° | 119.5° |
| N3 | C14 | C15 | O6 | 17.7° | 0.0° |
| N3 | C14 | C16 | C17 | 35.9° | 22.2° |
| N3 | C14 | C16 | H23 | 154.7° | 140.5° |
| N3 | C14 | C16 | H24 | 83.0° | 96.2° |
| C14 | N3 | C18 | C17 | 9.6° | 24.5° |
| C14 | N3 | C18 | H27 | 109.3° | 94.4° |
| C14 | N3 | C18 | H28 | 128.5° | 143.2° |
| N3 | C14 | C15 | N4 | 162.8° | 180.0° |
| C18 | N3 | C14 | C15 | 105.7° | 120.8° |
| C18 | N3 | C14 | C16 | 16.3° | 1.3° |
| C18 | N3 | C14 | H22 | 132.0° | 118.3° |
| N3 | C18 | C17 | C16 | 32.3° | 37.3° |
| N3 | C18 | C17 | H27 | 118.9° | 118.9° |
| N3 | C18 | C17 | H28 | 118.9° | 118.7° |
| N3 | C18 | C17 | H25 | 86.7° | 80.8° |
| N3 | C18 | C17 | H26 | 151.4° | 155.3° |
| N3 | C18 | H27 | H28 | 123.1° | 122.3° |
| C15 | C14 | C16 | H22 | 120.6° | 121.1° |
| C14 | C15 | O6 | N4 | 179.5° | 180.0° |
| C15 | C14 | C16 | C17 | 87.2° | 97.2° |
| C15 | C14 | C16 | H23 | 31.6° | 21.1° |
| C15 | C14 | C16 | H24 | 154.0° | 144.4° |
| C14 | C15 | N4 | C20 | 179.5° | 179.9° |
| C14 | C15 | N4 | H31 | 0.4° | 0.0° |
| C15 | C14 | N3 | C10 | 89.6° | 59.5° |
| C16 | C14 | C15 | O6 | 98.8° | 117.8° |
| C14 | C16 | C17 | H23 | 118.8° | 118.4° |
| C14 | C16 | C17 | H24 | 118.8° | 118.4° |
| C14 | C16 | H23 | H24 | 123.4° | 123.3° |
| C14 | C16 | C17 | C18 | 42.6° | 35.7° |
| C14 | C16 | C17 | H25 | 76.5° | 82.6° |
| C14 | C16 | C17 | H26 | 161.7° | 153.6° |
| C16 | C14 | C15 | N4 | 80.7° | 62.2° |
| C16 | C14 | N3 | C10 | 148.4° | 179.0° |
| H22 | C14 | C15 | O6 | 140.5° | 121.0° |
| H22 | C14 | C16 | C17 | 152.2° | 141.7° |
| H22 | C14 | C16 | H23 | 89.0° | 100.0° |
| H22 | C14 | C16 | H24 | 33.4° | 23.3° |
| H22 | C14 | C15 | N4 | 40.0° | 59.0° |
| H22 | C14 | N3 | C10 | 32.6° | 61.4° |
| O6 | C15 | N4 | C20 | 1.0° | 0.1° |
| O6 | C15 | N4 | H31 | 179.0° | 180.0° |
| C17 | C16 | H23 | H24 | 123.4° | 123.2° |
| C16 | C17 | C18 | H25 | 119.1° | 118.1° |
| C16 | C17 | C18 | H26 | 119.1° | 118.0° |
| C16 | C17 | H25 | H26 | 122.7° | 123.8° |
| C16 | C17 | C18 | H27 | 86.6° | 81.5° |
| C16 | C17 | C18 | H28 | 151.2° | 156.1° |
| H23 | C16 | C17 | C18 | 161.4° | 154.1° |
| H23 | C16 | C17 | H25 | 42.3° | 35.8° |
| H23 | C16 | C17 | H26 | 79.5° | 88.0° |
| H24 | C16 | C17 | C18 | 76.2° | 82.7° |
| H24 | C16 | C17 | H25 | 164.7° | 159.0° |
| H24 | C16 | C17 | H26 | 42.9° | 35.2° |
| C18 | C17 | H25 | H26 | 122.7° | 123.9° |
| C17 | C18 | H27 | H28 | 123.1° | 122.3° |
| C17 | C18 | N3 | C10 | 174.2° | 155.8° |
| H25 | C17 | C18 | H27 | 154.3° | 160.3° |
| H25 | C17 | C18 | H28 | 32.2° | 37.9° |
| H26 | C17 | C18 | H27 | 32.5° | 36.4° |
| H26 | C17 | C18 | H28 | 89.7° | 86.0° |
| H27 | C18 | N3 | C10 | 55.3° | 85.3° |
| H28 | C18 | N3 | C10 | 66.9° | 37.1° |
| O7 | C19 | C20 | H29 | 120.2° | 119.9° |
| O7 | C19 | C20 | H30 | 120.2° | 120.1° |
| O7 | C19 | H29 | H30 | 119.6° | 120.0° |
| O7 | C19 | C20 | N4 | 112.1° | 65.1° |
| O7 | C19 | C20 | C21 | 125.9° | 55.0° |
| O7 | C19 | C20 | H33 | 8.9° | 175.0° |
| C20 | C19 | H29 | H30 | 119.6° | 120.1° |
| C19 | C20 | N4 | C21 | 120.5° | 120.1° |
| C19 | C20 | N4 | H33 | 120.6° | 120.0° |
| C19 | C20 | N4 | H31 | 50.6° | 95.0° |
| C20 | C19 | O7 | H32 | 180.0° | 180.0° |
| C19 | C20 | C21 | H33 | 117.0° | 120.0° |
| C19 | C20 | C21 | C22 | 142.6° | 175.0° |
| C19 | C20 | C21 | H34 | 96.9° | 65.0° |
| C19 | C20 | C21 | H35 | 22.1° | 55.0° |
| C19 | C20 | N4 | C15 | 129.5° | 84.9° |
| H29 | C19 | C20 | N4 | 8.1° | 175.0° |
| H29 | C19 | O7 | H32 | 59.8° | 60.0° |
| H29 | C19 | C20 | C21 | 114.0° | 65.0° |
| H29 | C19 | C20 | H33 | 129.1° | 55.1° |
| H30 | C19 | C20 | N4 | 127.8° | 55.0° |
| H30 | C19 | O7 | H32 | 59.9° | 59.9° |
| H30 | C19 | C20 | C21 | 5.7° | 175.0° |
| H30 | C19 | C20 | H33 | 111.2° | 65.0° |
| C20 | N4 | H31 | C15 | 180.0° | 179.9° |
| N4 | C20 | C21 | H33 | 119.4° | 119.9° |
| N4 | C20 | C21 | C22 | 93.8° | 65.0° |
| N4 | C20 | C21 | H34 | 26.7° | 55.0° |
| N4 | C20 | C21 | H35 | 145.8° | 175.1° |
| H31 | N4 | C20 | C21 | 69.9° | 25.1° |
| H31 | N4 | C20 | H33 | 171.2° | 145.0° |
| C20 | C21 | C22 | H34 | 120.4° | 120.0° |
| C20 | C21 | C22 | H35 | 120.4° | 119.9° |
| C20 | C21 | H34 | H35 | 118.5° | 119.9° |
| C20 | C21 | C22 | O9 | 19.3° | 0.0° |
| C20 | C21 | C22 | O8 | 160.6° | 180.0° |
| C21 | C20 | N4 | C15 | 110.0° | 155.0° |
| H33 | C20 | C21 | C22 | 25.6° | 55.0° |
| H33 | C20 | C21 | H34 | 146.1° | 175.0° |
| H33 | C20 | C21 | H35 | 94.8° | 65.0° |
| H33 | C20 | N4 | C15 | 8.9° | 35.0° |
| C22 | C21 | H34 | H35 | 118.6° | 120.0° |
| C21 | C22 | O9 | O8 | 179.9° | 180.0° |
| C21 | C22 | O8 | H36 | 179.9° | 179.9° |
| H34 | C21 | C22 | O9 | 139.7° | 120.0° |
| H34 | C21 | C22 | O8 | 40.2° | 60.0° |
| H35 | C21 | C22 | O9 | 101.1° | 119.9° |
| H35 | C21 | C22 | O8 | 78.9° | 60.1° |
| O9 | C22 | O8 | H36 | 0.0° | 0.1° |
