PRD_000241
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| 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 | 1.48Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| 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 | 1.53Å | |
| 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 | 1.46Å | 1.47Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.25Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.24Å | |
| C12 | O5 | sing | 1.34Å | 1.24Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| N3 | C13 | sing | 1.46Å | 1.47Å | |
| 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 | 1.24Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | O7 | doub | 1.21Å | 1.26Å | |
| C17 | O8 | sing | 1.34Å | 1.25Å | |
| O8 | H26 | sing | 0.97Å | 0.95Å | |
| N4 | C18 | sing | 1.46Å | 1.48Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | O9 | doub | 1.21Å | 1.24Å | |
| C20 | O10 | sing | 1.43Å | 1.42Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| O10 | H31 | sing | 0.97Å | 0.95Å | |
| C21 | O11 | sing | 1.43Å | 1.27Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| O11 | H35 | sing | 0.97Å | 0.95Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | O13 | doub | 1.21Å | 1.28Å | |
| C24 | O12 | sing | 1.34Å | 1.25Å | |
| O12 | H39 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.24Å | |
| C19 | N5 | sing | 1.35Å | 1.44Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C10 | N3 | sing | 1.35Å | 1.35Å | |
| C14 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.7° | 120.0° |
| O1 | C1 | N1 | 132.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 109.6° | 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 | 121.0° | 120.0° |
| N1 | C3 | C4 | 109.6° | 109.5° |
| N1 | C3 | C5 | 110.3° | 109.5° |
| N1 | C3 | H5 | 110.0° | 109.5° |
| C3 | N1 | C1 | 118.1° | 120.0° |
| H4 | N1 | C1 | 120.9° | 120.0° |
| C4 | C3 | C5 | 108.6° | 109.4° |
| C4 | C3 | H5 | 109.3° | 109.5° |
| C3 | C4 | O2 | 120.0° | 120.0° |
| C3 | C4 | N2 | 117.2° | 120.0° |
| C5 | C3 | H5 | 109.1° | 109.5° |
| C3 | C5 | C6 | 119.2° | 109.4° |
| C3 | C5 | H6 | 107.0° | 109.5° |
| C3 | C5 | H7 | 107.0° | 109.4° |
| O2 | C4 | N2 | 122.8° | 120.0° |
| C6 | C5 | H6 | 107.0° | 109.5° |
| C6 | C5 | H7 | 107.0° | 109.4° |
| C5 | C6 | C7 | 109.0° | 109.5° |
| C5 | C6 | C8 | 110.2° | 109.5° |
| C5 | C6 | H8 | 109.3° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 109.5° | 109.4° |
| C7 | C6 | H8 | 109.4° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.6° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.4° | 109.5° |
| C8 | C6 | H8 | 109.4° | 109.4° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| 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° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | H15 | 119.6° | 120.0° |
| N2 | C9 | C10 | 111.9° | 109.5° |
| N2 | C9 | C11 | 110.6° | 109.5° |
| N2 | C9 | H16 | 108.4° | 109.5° |
| C9 | N2 | C4 | 120.7° | 120.0° |
| H15 | N2 | C4 | 119.6° | 120.0° |
| C10 | C9 | C11 | 110.9° | 109.5° |
| C10 | C9 | H16 | 107.5° | 109.5° |
| C9 | C10 | O3 | 123.3° | 120.0° |
| C9 | C10 | N3 | 112.5° | 120.0° |
| C11 | C9 | H16 | 107.4° | 109.5° |
| C9 | C11 | C12 | 112.1° | 109.5° |
| C9 | C11 | H17 | 108.8° | 109.5° |
| C9 | C11 | H18 | 108.8° | 109.5° |
| O3 | C10 | N3 | 124.2° | 120.0° |
| C12 | C11 | H17 | 108.8° | 109.5° |
| C12 | C11 | H18 | 108.8° | 109.5° |
| C11 | C12 | O4 | 117.1° | 120.0° |
| C11 | C12 | O5 | 121.1° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| O4 | C12 | O5 | 121.8° | 120.0° |
| C12 | O5 | H19 | 109.5° | 117.0° |
| C13 | N3 | H20 | 116.6° | 120.0° |
| N3 | C13 | C14 | 108.0° | 109.5° |
| N3 | C13 | C15 | 113.4° | 109.5° |
| N3 | C13 | H21 | 109.5° | 109.5° |
| C13 | N3 | C10 | 126.7° | 120.0° |
| H20 | N3 | C10 | 116.6° | 120.0° |
| C14 | C13 | C15 | 108.6° | 109.5° |
| C14 | C13 | H21 | 108.7° | 109.5° |
| C13 | C14 | O6 | 119.7° | 120.0° |
| C13 | C14 | N4 | 117.4° | 120.0° |
| C15 | C13 | H21 | 108.5° | 109.4° |
| C13 | C15 | C16 | 117.5° | 109.4° |
| C13 | C15 | H22 | 107.4° | 109.4° |
| C13 | C15 | H23 | 107.4° | 109.5° |
| O6 | C14 | N4 | 122.9° | 120.0° |
| C16 | C15 | H22 | 107.5° | 109.4° |
| C16 | C15 | H23 | 107.4° | 109.5° |
| C15 | C16 | C17 | 112.7° | 109.4° |
| C15 | C16 | H24 | 108.7° | 109.4° |
| C15 | C16 | H25 | 108.7° | 109.5° |
| H22 | C15 | H23 | 109.4° | 109.5° |
| C17 | C16 | H24 | 108.7° | 109.4° |
| C17 | C16 | H25 | 108.7° | 109.5° |
| C16 | C17 | O7 | 119.5° | 120.0° |
| C16 | C17 | O8 | 117.9° | 120.0° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| O7 | C17 | O8 | 122.7° | 120.0° |
| C17 | O8 | H26 | 109.5° | 117.0° |
| C18 | N4 | H27 | 119.3° | 120.0° |
| N4 | C18 | C19 | 112.4° | 109.5° |
| N4 | C18 | C20 | 110.0° | 109.5° |
| N4 | C18 | H28 | 109.0° | 109.5° |
| C18 | N4 | C14 | 121.4° | 120.0° |
| H27 | N4 | C14 | 119.3° | 120.0° |
| C19 | C18 | C20 | 108.7° | 109.4° |
| C19 | C18 | H28 | 108.3° | 109.5° |
| C18 | C19 | O9 | 124.0° | 120.0° |
| C18 | C19 | N5 | 123.0° | 120.0° |
| C20 | C18 | H28 | 108.3° | 109.5° |
| C18 | C20 | O10 | 111.5° | 109.5° |
| C18 | C20 | H29 | 109.0° | 109.5° |
| C18 | C20 | H30 | 109.0° | 109.5° |
| O9 | C19 | N5 | 113.1° | 120.0° |
| O10 | C20 | H29 | 109.0° | 109.4° |
| O10 | C20 | H30 | 109.0° | 109.5° |
| C20 | O10 | H31 | 109.5° | 114.0° |
| H29 | C20 | H30 | 109.4° | 109.5° |
| O11 | C21 | C22 | 114.8° | 109.5° |
| O11 | C21 | H32 | 108.1° | 109.4° |
| O11 | C21 | H33 | 108.1° | 109.5° |
| C21 | O11 | H35 | 109.5° | 114.1° |
| C22 | C21 | H32 | 108.1° | 109.5° |
| C22 | C21 | H33 | 108.1° | 109.5° |
| C21 | C22 | N5 | 111.2° | 109.5° |
| C21 | C22 | C23 | 109.1° | 109.4° |
| C21 | C22 | H36 | 110.0° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| C22 | N5 | H34 | 109.4° | 120.0° |
| N5 | C22 | C23 | 106.7° | 109.4° |
| N5 | C22 | H36 | 110.4° | 109.5° |
| C22 | N5 | C19 | 141.1° | 120.0° |
| H34 | N5 | C19 | 109.5° | 120.0° |
| C23 | C22 | H36 | 109.4° | 109.5° |
| C22 | C23 | C24 | 113.2° | 109.4° |
| C22 | C23 | H37 | 108.5° | 109.5° |
| C22 | C23 | H38 | 108.5° | 109.4° |
| C24 | C23 | H37 | 108.5° | 109.5° |
| C24 | C23 | H38 | 108.5° | 109.4° |
| C23 | C24 | O13 | 119.7° | 120.0° |
| C23 | C24 | O12 | 119.5° | 120.0° |
| H37 | C23 | H38 | 109.4° | 109.5° |
| O13 | C24 | O12 | 120.8° | 120.0° |
| C24 | O12 | H39 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.9° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 0.2° | 0.0° |
| O1 | C1 | N1 | H4 | 179.8° | 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 | 180.0° | 179.7° |
| C2 | C1 | N1 | H4 | 0.0° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | N1 | 179.8° | 179.7° |
| H2 | C2 | C1 | N1 | 60.1° | 59.7° |
| H3 | C2 | C1 | N1 | 59.9° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 120.5° | 120.0° |
| N1 | C3 | C4 | H5 | 120.6° | 120.0° |
| N1 | C3 | C5 | H5 | 121.0° | 120.0° |
| N1 | C3 | C4 | O2 | 35.0° | 20.0° |
| N1 | C3 | C5 | C6 | 60.3° | 65.0° |
| N1 | C3 | C5 | H6 | 61.0° | 55.0° |
| N1 | C3 | C5 | H7 | 178.3° | 175.0° |
| N1 | C3 | C4 | N2 | 145.0° | 160.0° |
| H4 | N1 | C3 | C4 | 47.2° | 120.1° |
| H4 | N1 | C3 | C5 | 72.2° | 120.0° |
| H4 | N1 | C3 | H5 | 167.4° | 0.1° |
| C4 | C3 | C5 | H5 | 119.0° | 120.0° |
| C3 | C4 | O2 | N2 | 180.0° | 180.0° |
| C4 | C3 | C5 | C6 | 179.6° | 175.0° |
| C4 | C3 | C5 | H6 | 59.0° | 65.0° |
| C4 | C3 | C5 | H7 | 58.2° | 55.1° |
| C3 | C4 | N2 | C9 | 179.6° | 175.2° |
| C3 | C4 | N2 | H15 | 0.4° | 4.8° |
| C4 | C3 | N1 | C1 | 132.8° | 60.0° |
| C5 | C3 | C4 | O2 | 85.5° | 100.0° |
| C3 | C5 | C6 | H6 | 121.3° | 120.0° |
| C3 | C5 | C6 | H7 | 121.4° | 119.9° |
| C3 | C5 | H6 | H7 | 115.6° | 120.0° |
| C3 | C5 | C6 | C7 | 179.1° | 175.0° |
| C3 | C5 | C6 | C8 | 60.7° | 65.0° |
| C3 | C5 | C6 | H8 | 59.6° | 55.0° |
| C5 | C3 | N1 | C1 | 107.8° | 60.0° |
| C5 | C3 | C4 | N2 | 94.5° | 80.0° |
| H5 | C3 | C4 | O2 | 155.6° | 140.0° |
| H5 | C3 | C5 | C6 | 60.6° | 55.0° |
| H5 | C3 | C5 | H6 | 178.0° | 175.0° |
| H5 | C3 | C5 | H7 | 60.8° | 64.9° |
| H5 | C3 | N1 | C1 | 12.6° | 180.0° |
| H5 | C3 | C4 | N2 | 24.3° | 40.0° |
| O2 | C4 | N2 | C9 | 0.3° | 4.9° |
| O2 | C4 | N2 | H15 | 179.7° | 175.2° |
| C6 | C5 | H6 | H7 | 115.6° | 120.0° |
| C5 | C6 | C7 | C8 | 120.6° | 120.0° |
| C5 | C6 | C7 | H8 | 119.5° | 120.1° |
| C5 | C6 | C8 | H8 | 120.2° | 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° | 180.0° |
| C5 | C6 | C8 | H13 | 60.0° | 60.0° |
| C5 | C6 | C8 | H14 | 60.0° | 60.0° |
| H6 | C5 | C6 | C7 | 57.8° | 55.0° |
| H6 | C5 | C6 | C8 | 177.9° | 175.0° |
| H6 | C5 | C6 | H8 | 61.8° | 65.1° |
| H7 | C5 | C6 | C7 | 59.5° | 65.0° |
| H7 | C5 | C6 | C8 | 60.6° | 54.9° |
| H7 | C5 | C6 | H8 | 179.0° | 174.9° |
| C7 | C6 | C8 | H8 | 119.9° | 120.0° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.1° |
| C6 | C7 | H10 | H11 | 119.9° | 120.0° |
| C7 | C6 | C8 | H12 | 60.1° | 60.0° |
| C7 | C6 | C8 | H13 | 59.8° | 60.0° |
| C7 | C6 | C8 | H14 | 179.9° | 180.0° |
| C8 | C6 | C7 | H9 | 59.4° | 60.0° |
| C8 | C6 | C7 | H10 | 179.4° | 60.0° |
| C8 | C6 | C7 | H11 | 60.6° | 180.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 119.9° |
| C6 | C8 | H13 | H14 | 120.0° | 119.9° |
| H8 | C6 | C7 | H9 | 60.5° | 179.9° |
| H8 | C6 | C7 | H10 | 59.5° | 59.9° |
| H8 | C6 | C7 | H11 | 179.4° | 60.0° |
| H8 | C6 | C8 | H12 | 59.8° | 60.0° |
| H8 | C6 | C8 | H13 | 179.8° | 180.0° |
| H8 | C6 | C8 | H14 | 60.2° | 60.0° |
| H9 | C7 | H10 | H11 | 120.0° | 119.9° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C4 | 180.0° | 180.0° |
| N2 | C9 | C10 | C11 | 124.0° | 120.0° |
| N2 | C9 | C10 | H16 | 118.9° | 120.0° |
| N2 | C9 | C11 | H16 | 118.1° | 120.0° |
| N2 | C9 | C10 | O3 | 44.8° | 0.0° |
| N2 | C9 | C11 | C12 | 58.5° | 65.6° |
| N2 | C9 | C11 | H17 | 61.9° | 54.4° |
| N2 | C9 | C11 | H18 | 178.9° | 174.4° |
| N2 | C9 | C10 | N3 | 135.7° | 180.0° |
| H15 | N2 | C9 | C10 | 89.6° | 98.2° |
| H15 | N2 | C9 | C11 | 34.6° | 21.8° |
| H15 | N2 | C9 | H16 | 152.1° | 141.8° |
| C10 | C9 | C11 | H16 | 117.2° | 120.0° |
| C9 | C10 | O3 | N3 | 179.5° | 180.0° |
| C10 | C9 | C11 | C12 | 176.7° | 174.4° |
| C10 | C9 | C11 | H17 | 62.9° | 65.6° |
| C10 | C9 | C11 | H18 | 56.3° | 54.3° |
| C9 | C10 | N3 | C13 | 179.1° | 180.0° |
| C9 | C10 | N3 | H20 | 0.9° | 0.0° |
| C10 | C9 | N2 | C4 | 90.4° | 81.7° |
| C11 | C9 | C10 | O3 | 79.2° | 120.0° |
| C9 | C11 | C12 | H17 | 120.4° | 120.0° |
| C9 | C11 | C12 | H18 | 120.4° | 120.0° |
| C9 | C11 | H17 | H18 | 118.8° | 120.0° |
| C9 | C11 | C12 | O4 | 51.2° | 5.5° |
| C9 | C11 | C12 | O5 | 130.2° | 174.4° |
| C11 | C9 | N2 | C4 | 145.4° | 158.2° |
| C11 | C9 | C10 | N3 | 100.3° | 60.0° |
| H16 | C9 | C10 | O3 | 163.7° | 120.0° |
| H16 | C9 | C11 | C12 | 59.5° | 54.4° |
| H16 | C9 | C11 | H17 | 179.9° | 174.4° |
| H16 | C9 | C11 | H18 | 60.9° | 65.7° |
| H16 | C9 | N2 | C4 | 28.0° | 38.2° |
| H16 | C9 | C10 | N3 | 16.8° | 60.0° |
| O3 | C10 | N3 | C13 | 0.5° | 0.0° |
| O3 | C10 | N3 | H20 | 179.5° | 180.0° |
| C12 | C11 | H17 | H18 | 118.8° | 120.0° |
| C11 | C12 | O4 | O5 | 178.6° | 180.0° |
| C11 | C12 | O5 | H19 | 178.5° | 179.9° |
| H17 | C11 | C12 | O4 | 171.6° | 125.5° |
| H17 | C11 | C12 | O5 | 9.8° | 54.4° |
| H18 | C11 | C12 | O4 | 69.2° | 114.5° |
| H18 | C11 | C12 | O5 | 109.4° | 65.6° |
| O4 | C12 | O5 | H19 | 0.0° | 0.0° |
| C13 | N3 | H20 | C10 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 123.4° | 120.0° |
| N3 | C13 | C14 | H21 | 118.7° | 120.0° |
| N3 | C13 | C15 | H21 | 121.9° | 120.0° |
| N3 | C13 | C14 | O6 | 13.6° | 0.0° |
| N3 | C13 | C15 | C16 | 14.8° | 64.9° |
| N3 | C13 | C15 | H22 | 106.4° | 55.0° |
| N3 | C13 | C15 | H23 | 136.0° | 175.0° |
| N3 | C13 | C14 | N4 | 166.4° | 180.0° |
| H20 | N3 | C13 | C14 | 48.1° | 25.0° |
| H20 | N3 | C13 | C15 | 72.2° | 95.0° |
| H20 | N3 | C13 | H21 | 166.4° | 145.0° |
| C14 | C13 | C15 | H21 | 118.0° | 120.0° |
| C13 | C14 | O6 | N4 | 179.9° | 179.9° |
| C14 | C13 | C15 | C16 | 134.8° | 175.1° |
| C14 | C13 | C15 | H22 | 13.7° | 65.0° |
| C14 | C13 | C15 | H23 | 104.0° | 55.0° |
| C13 | C14 | N4 | C18 | 179.9° | 180.0° |
| C13 | C14 | N4 | H27 | 0.0° | 0.0° |
| C14 | C13 | N3 | C10 | 131.8° | 155.0° |
| C15 | C13 | C14 | O6 | 109.7° | 120.1° |
| C13 | C15 | C16 | H22 | 121.2° | 119.9° |
| C13 | C15 | C16 | H23 | 121.1° | 120.0° |
| C13 | C15 | H22 | H23 | 116.3° | 120.0° |
| C13 | C15 | C16 | C17 | 179.7° | 180.0° |
| C13 | C15 | C16 | H24 | 59.2° | 60.1° |
| C13 | C15 | C16 | H25 | 59.8° | 60.0° |
| C15 | C13 | N3 | C10 | 107.8° | 85.0° |
| C15 | C13 | C14 | N4 | 70.2° | 60.0° |
| H21 | C13 | C14 | O6 | 132.4° | 120.0° |
| H21 | C13 | C15 | C16 | 107.1° | 55.0° |
| H21 | C13 | C15 | H22 | 131.7° | 175.0° |
| H21 | C13 | C15 | H23 | 14.0° | 65.0° |
| H21 | C13 | N3 | C10 | 13.6° | 35.0° |
| H21 | C13 | C14 | N4 | 47.7° | 60.0° |
| O6 | C14 | N4 | C18 | 0.1° | 0.1° |
| O6 | C14 | N4 | H27 | 179.9° | 180.0° |
| C16 | C15 | H22 | H23 | 116.4° | 120.1° |
| C15 | C16 | C17 | H24 | 120.5° | 119.9° |
| C15 | C16 | C17 | H25 | 120.5° | 120.1° |
| C15 | C16 | H24 | H25 | 118.5° | 120.1° |
| C15 | C16 | C17 | O7 | 68.1° | 0.0° |
| C15 | C16 | C17 | O8 | 112.1° | 180.0° |
| H22 | C15 | C16 | C17 | 59.1° | 60.1° |
| H22 | C15 | C16 | H24 | 179.6° | 180.0° |
| H22 | C15 | C16 | H25 | 61.4° | 59.9° |
| H23 | C15 | C16 | C17 | 58.5° | 60.0° |
| H23 | C15 | C16 | H24 | 61.9° | 59.9° |
| H23 | C15 | C16 | H25 | 179.0° | 180.0° |
| C17 | C16 | H24 | H25 | 118.6° | 120.0° |
| C16 | C17 | O7 | O8 | 179.8° | 180.0° |
| C16 | C17 | O8 | H26 | 179.9° | 180.0° |
| H24 | C16 | C17 | O7 | 171.4° | 119.9° |
| H24 | C16 | C17 | O8 | 8.4° | 60.1° |
| H25 | C16 | C17 | O7 | 52.4° | 120.0° |
| H25 | C16 | C17 | O8 | 127.4° | 60.0° |
| O7 | C17 | O8 | H26 | 0.0° | 0.0° |
| C18 | N4 | H27 | C14 | 180.0° | 180.0° |
| N4 | C18 | C19 | C20 | 122.0° | 120.0° |
| N4 | C18 | C19 | H28 | 120.5° | 120.0° |
| N4 | C18 | C20 | H28 | 119.1° | 120.0° |
| N4 | C18 | C19 | O9 | 25.4° | 0.0° |
| N4 | C18 | C20 | O10 | 69.3° | 65.0° |
| N4 | C18 | C20 | H29 | 170.3° | 175.0° |
| N4 | C18 | C20 | H30 | 51.0° | 55.0° |
| N4 | C18 | C19 | N5 | 155.8° | 180.0° |
| H27 | N4 | C18 | C19 | 76.9° | 24.9° |
| H27 | N4 | C18 | C20 | 44.3° | 95.0° |
| H27 | N4 | C18 | H28 | 162.9° | 145.0° |
| C19 | C18 | C20 | H28 | 117.5° | 120.0° |
| C18 | C19 | O9 | N5 | 178.9° | 179.9° |
| C19 | C18 | C20 | O10 | 54.1° | 55.0° |
| C19 | C18 | C20 | H29 | 66.2° | 65.0° |
| C19 | C18 | C20 | H30 | 174.4° | 175.0° |
| C18 | C19 | N5 | C22 | 173.3° | 180.0° |
| C18 | C19 | N5 | H34 | 6.7° | 0.1° |
| C19 | C18 | N4 | C14 | 103.1° | 155.0° |
| C20 | C18 | C19 | O9 | 96.6° | 120.0° |
| C18 | C20 | O10 | H29 | 120.3° | 120.0° |
| C18 | C20 | O10 | H30 | 120.3° | 120.0° |
| C18 | C20 | H29 | H30 | 119.1° | 120.0° |
| C18 | C20 | O10 | H31 | 180.0° | 180.0° |
| C20 | C18 | C19 | N5 | 82.2° | 60.1° |
| C20 | C18 | N4 | C14 | 135.7° | 85.1° |
| H28 | C18 | C19 | O9 | 146.0° | 120.0° |
| H28 | C18 | C20 | O10 | 171.6° | 175.0° |
| H28 | C18 | C20 | H29 | 51.2° | 55.0° |
| H28 | C18 | C20 | H30 | 68.1° | 65.0° |
| H28 | C18 | C19 | N5 | 35.3° | 59.9° |
| H28 | C18 | N4 | C14 | 17.0° | 35.0° |
| O9 | C19 | N5 | C22 | 5.6° | 0.1° |
| O9 | C19 | N5 | H34 | 174.4° | 179.9° |
| O10 | C20 | H29 | H30 | 119.1° | 120.0° |
| H29 | C20 | O10 | H31 | 59.7° | 60.0° |
| H30 | C20 | O10 | H31 | 59.7° | 60.0° |
| O11 | C21 | C22 | H32 | 120.8° | 120.0° |
| O11 | C21 | C22 | H33 | 120.8° | 120.1° |
| O11 | C21 | H32 | H33 | 117.5° | 120.0° |
| O11 | C21 | C22 | N5 | 157.0° | 65.0° |
| O11 | C21 | C22 | C23 | 85.6° | 55.0° |
| O11 | C21 | C22 | H36 | 34.3° | 175.0° |
| C22 | C21 | H32 | H33 | 117.6° | 120.0° |
| C21 | C22 | N5 | C23 | 118.8° | 119.9° |
| C21 | C22 | N5 | H36 | 122.4° | 120.0° |
| C21 | C22 | N5 | H34 | 77.2° | 94.9° |
| C22 | C21 | O11 | H35 | 180.0° | 180.0° |
| C21 | C22 | C23 | H36 | 120.3° | 120.1° |
| C21 | C22 | C23 | C24 | 159.1° | 175.0° |
| C21 | C22 | C23 | H37 | 80.3° | 65.0° |
| C21 | C22 | C23 | H38 | 38.5° | 55.1° |
| C21 | C22 | N5 | C19 | 102.8° | 85.0° |
| H32 | C21 | C22 | N5 | 36.2° | 175.0° |
| H32 | C21 | O11 | H35 | 59.2° | 60.0° |
| H32 | C21 | C22 | C23 | 153.6° | 65.1° |
| H32 | C21 | C22 | H36 | 86.5° | 55.0° |
| H33 | C21 | C22 | N5 | 82.2° | 55.1° |
| H33 | C21 | O11 | H35 | 59.2° | 60.0° |
| H33 | C21 | C22 | C23 | 35.2° | 175.0° |
| H33 | C21 | C22 | H36 | 155.1° | 64.9° |
| C22 | N5 | H34 | C19 | 180.0° | 179.9° |
| N5 | C22 | C23 | H36 | 119.5° | 120.0° |
| N5 | C22 | C23 | C24 | 80.7° | 65.0° |
| N5 | C22 | C23 | H37 | 39.9° | 55.0° |
| N5 | C22 | C23 | H38 | 158.8° | 175.0° |
| H34 | N5 | C22 | C23 | 41.6° | 25.0° |
| H34 | N5 | C22 | H36 | 160.4° | 145.1° |
| C22 | C23 | C24 | H37 | 120.6° | 120.1° |
| C22 | C23 | C24 | H38 | 120.6° | 119.9° |
| C22 | C23 | H37 | H38 | 118.3° | 120.0° |
| C22 | C23 | C24 | O13 | 12.3° | 0.0° |
| C22 | C23 | C24 | O12 | 167.9° | 180.0° |
| C23 | C22 | N5 | C19 | 138.4° | 155.1° |
| H36 | C22 | C23 | C24 | 38.8° | 54.9° |
| H36 | C22 | C23 | H37 | 159.4° | 175.0° |
| H36 | C22 | C23 | H38 | 81.8° | 65.0° |
| H36 | C22 | N5 | C19 | 19.6° | 35.1° |
| C24 | C23 | H37 | H38 | 118.3° | 120.0° |
| C23 | C24 | O13 | O12 | 179.9° | 180.0° |
| C23 | C24 | O12 | H39 | 179.8° | 180.0° |
| H37 | C23 | C24 | O13 | 132.8° | 120.0° |
| H37 | C23 | C24 | O12 | 47.3° | 60.0° |
| H38 | C23 | C24 | O13 | 108.3° | 120.0° |
| H38 | C23 | C24 | O12 | 71.6° | 60.1° |
| O13 | C24 | O12 | H39 | 0.0° | 0.0° |
