PRD_000415
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.46Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| C6 | O1 | sing | 1.43Å | 1.40Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| C7 | O2 | doub | 1.21Å | 1.20Å | |
| N2 | C8 | sing | 1.47Å | 1.42Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.55Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C13 | sing | 1.46Å | 1.46Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | O4 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | C18 | sing | 1.47Å | 1.45Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| C19 | O8 | sing | 1.34Å | 1.23Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | O6 | doub | 1.21Å | 1.25Å | |
| C21 | O7 | sing | 1.34Å | 1.25Å | |
| O7 | H37 | sing | 0.97Å | 0.95Å | |
| O8 | H38 | sing | 0.97Å | 0.95Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| C9 | N3 | sing | 1.35Å | 1.34Å | |
| C14 | N4 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.4° | 111.0° |
| N1 | C1 | C2 | 102.9° | 109.4° |
| N1 | C1 | C6 | 110.1° | 109.5° |
| N1 | C1 | H3 | 110.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C6 | 113.1° | 109.5° |
| C2 | C1 | H3 | 110.4° | 109.5° |
| C1 | C2 | C3 | 115.9° | 109.5° |
| C1 | C2 | H4 | 107.8° | 109.5° |
| C1 | C2 | H5 | 107.8° | 109.5° |
| C6 | C1 | H3 | 109.5° | 109.5° |
| C1 | C6 | C7 | 109.3° | 109.5° |
| C1 | C6 | O1 | 111.1° | 109.5° |
| C1 | C6 | H14 | 107.9° | 109.4° |
| C3 | C2 | H4 | 107.8° | 109.4° |
| C3 | C2 | H5 | 107.9° | 109.5° |
| C2 | C3 | C4 | 107.1° | 109.5° |
| C2 | C3 | C5 | 109.6° | 109.5° |
| C2 | C3 | H6 | 110.7° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| C4 | C3 | C5 | 109.0° | 109.5° |
| C4 | C3 | H6 | 110.2° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C4 | H9 | 109.4° | 109.5° |
| C5 | C3 | H6 | 110.2° | 109.4° |
| C3 | C5 | H10 | 109.5° | 109.5° |
| C3 | C5 | H11 | 109.5° | 109.5° |
| C3 | C5 | H12 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.4° | 109.4° |
| H7 | C4 | H9 | 109.4° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.4° | 109.5° |
| H10 | C5 | H12 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.4° |
| C7 | C6 | O1 | 111.2° | 109.5° |
| C7 | C6 | H14 | 107.7° | 109.5° |
| C6 | C7 | O2 | 127.9° | 120.0° |
| C6 | C7 | N2 | 110.7° | 120.0° |
| O1 | C6 | H14 | 109.6° | 109.5° |
| C6 | O1 | H13 | 109.5° | 114.0° |
| O2 | C7 | N2 | 121.5° | 120.0° |
| C8 | N2 | H15 | 118.4° | 120.0° |
| N2 | C8 | C9 | 112.6° | 109.4° |
| N2 | C8 | C10 | 112.7° | 109.5° |
| N2 | C8 | H16 | 108.9° | 109.5° |
| C8 | N2 | C7 | 123.1° | 120.0° |
| H15 | N2 | C7 | 118.5° | 120.1° |
| C9 | C8 | C10 | 107.9° | 109.5° |
| C9 | C8 | H16 | 107.4° | 109.5° |
| C8 | C9 | O3 | 121.3° | 120.0° |
| C8 | C9 | N3 | 115.3° | 120.0° |
| C10 | C8 | H16 | 107.2° | 109.5° |
| C8 | C10 | C11 | 108.9° | 109.5° |
| C8 | C10 | C12 | 112.2° | 109.5° |
| C8 | C10 | H17 | 108.8° | 109.4° |
| O3 | C9 | N3 | 123.4° | 120.0° |
| C11 | C10 | C12 | 108.9° | 109.4° |
| C11 | C10 | H17 | 109.0° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.4° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| C12 | C10 | H17 | 109.0° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C10 | C12 | H22 | 109.5° | 109.5° |
| C10 | C12 | H23 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.4° | 109.4° |
| H21 | C12 | H22 | 109.5° | 109.4° |
| H21 | C12 | H23 | 109.4° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| C13 | N3 | H24 | 118.6° | 120.0° |
| N3 | C13 | C14 | 112.7° | 109.5° |
| N3 | C13 | C15 | 106.0° | 109.5° |
| N3 | C13 | H25 | 112.7° | 109.5° |
| C13 | N3 | C9 | 122.7° | 120.0° |
| H24 | N3 | C9 | 118.6° | 120.0° |
| C14 | C13 | C15 | 100.6° | 109.4° |
| C14 | C13 | H25 | 112.2° | 109.5° |
| C13 | C14 | O4 | 116.0° | 120.0° |
| C13 | C14 | N4 | 120.4° | 120.0° |
| C15 | C13 | H25 | 111.7° | 109.4° |
| C13 | C15 | C16 | 111.1° | 109.4° |
| C13 | C15 | C17 | 102.8° | 109.4° |
| C13 | C15 | H26 | 111.3° | 109.5° |
| O4 | C14 | N4 | 123.6° | 120.0° |
| C16 | C15 | C17 | 108.9° | 109.5° |
| C16 | C15 | H26 | 111.3° | 109.5° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C15 | C16 | H28 | 109.5° | 109.4° |
| C15 | C16 | H29 | 109.5° | 109.4° |
| C17 | C15 | H26 | 111.2° | 109.5° |
| C15 | C17 | H30 | 109.5° | 109.5° |
| C15 | C17 | H31 | 109.4° | 109.4° |
| C15 | C17 | H32 | 109.5° | 109.4° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H29 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.4° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| H30 | C17 | H32 | 109.5° | 109.5° |
| H31 | C17 | H32 | 109.5° | 109.5° |
| C18 | N4 | H33 | 117.7° | 120.0° |
| N4 | C18 | C19 | 109.4° | 109.5° |
| N4 | C18 | C20 | 108.9° | 109.5° |
| N4 | C18 | H34 | 108.8° | 109.5° |
| C18 | N4 | C14 | 124.6° | 120.0° |
| H33 | N4 | C14 | 117.7° | 120.0° |
| C19 | C18 | C20 | 114.2° | 109.5° |
| C19 | C18 | H34 | 107.7° | 109.5° |
| C18 | C19 | O5 | 121.8° | 120.0° |
| C18 | C19 | O8 | 121.9° | 120.0° |
| C20 | C18 | H34 | 107.7° | 109.4° |
| C18 | C20 | C21 | 116.1° | 109.5° |
| C18 | C20 | H35 | 107.8° | 109.4° |
| C18 | C20 | H36 | 107.8° | 109.5° |
| O5 | C19 | O8 | 116.3° | 120.0° |
| C19 | O8 | H38 | 109.5° | 117.0° |
| C21 | C20 | H35 | 107.8° | 109.5° |
| C21 | C20 | H36 | 107.8° | 109.5° |
| C20 | C21 | O6 | 117.3° | 120.0° |
| C20 | C21 | O7 | 116.9° | 120.0° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| O6 | C21 | O7 | 125.8° | 120.0° |
| C21 | O7 | H37 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C6 | 118.8° | 120.0° |
| N1 | C1 | C2 | H3 | 118.0° | 120.0° |
| N1 | C1 | C6 | H3 | 121.7° | 120.0° |
| N1 | C1 | C2 | C3 | 122.6° | 65.0° |
| N1 | C1 | C2 | H4 | 116.5° | 175.0° |
| N1 | C1 | C2 | H5 | 1.6° | 55.0° |
| N1 | C1 | C6 | C7 | 154.8° | 55.0° |
| N1 | C1 | C6 | O1 | 31.7° | 65.0° |
| N1 | C1 | C6 | H14 | 88.4° | 175.0° |
| H1 | N1 | C1 | C2 | 180.0° | 64.0° |
| H1 | N1 | C1 | C6 | 59.1° | 176.0° |
| H1 | N1 | C1 | H3 | 62.1° | 56.0° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C6 | 179.1° | 59.9° |
| H2 | N1 | C1 | H3 | 57.9° | 180.0° |
| C2 | C1 | C6 | H3 | 123.7° | 120.0° |
| C1 | C2 | C3 | H4 | 120.9° | 120.0° |
| C1 | C2 | C3 | H5 | 120.9° | 120.0° |
| C1 | C2 | H4 | H5 | 117.0° | 120.1° |
| C1 | C2 | C3 | C4 | 23.4° | 65.0° |
| C1 | C2 | C3 | C5 | 94.7° | 175.0° |
| C1 | C2 | C3 | H6 | 143.5° | 55.0° |
| C2 | C1 | C6 | C7 | 90.6° | 175.0° |
| C2 | C1 | C6 | O1 | 146.3° | 55.0° |
| C2 | C1 | C6 | H14 | 26.2° | 65.0° |
| C6 | C1 | C2 | C3 | 118.6° | 175.0° |
| C6 | C1 | C2 | H4 | 2.3° | 55.0° |
| C6 | C1 | C2 | H5 | 120.4° | 65.0° |
| C1 | C6 | C7 | O1 | 123.0° | 120.0° |
| C1 | C6 | C7 | H14 | 116.9° | 120.0° |
| C1 | C6 | O1 | H14 | 119.1° | 120.0° |
| C1 | C6 | O1 | H13 | 180.0° | 60.0° |
| C1 | C6 | C7 | O2 | 34.1° | 115.0° |
| C1 | C6 | C7 | N2 | 145.1° | 65.0° |
| H3 | C1 | C2 | C3 | 4.6° | 55.0° |
| H3 | C1 | C2 | H4 | 125.5° | 65.0° |
| H3 | C1 | C2 | H5 | 116.4° | 175.0° |
| H3 | C1 | C6 | C7 | 33.1° | 65.0° |
| H3 | C1 | C6 | O1 | 90.0° | 175.0° |
| H3 | C1 | C6 | H14 | 149.9° | 55.0° |
| C3 | C2 | H4 | H5 | 117.1° | 120.0° |
| C2 | C3 | C4 | C5 | 118.5° | 120.0° |
| C2 | C3 | C4 | H6 | 120.5° | 120.0° |
| C2 | C3 | C5 | H6 | 122.1° | 120.0° |
| C2 | C3 | C4 | H7 | 180.0° | 60.0° |
| C2 | C3 | C4 | H8 | 60.0° | 180.0° |
| C2 | C3 | C4 | H9 | 60.0° | 60.0° |
| C2 | C3 | C5 | H10 | 180.0° | 60.0° |
| C2 | C3 | C5 | H11 | 60.0° | 180.0° |
| C2 | C3 | C5 | H12 | 60.0° | 60.0° |
| H4 | C2 | C3 | C4 | 97.5° | 55.0° |
| H4 | C2 | C3 | C5 | 144.4° | 65.0° |
| H4 | C2 | C3 | H6 | 22.6° | 175.0° |
| H5 | C2 | C3 | C4 | 144.3° | 175.0° |
| H5 | C2 | C3 | C5 | 26.2° | 55.0° |
| H5 | C2 | C3 | H6 | 95.5° | 65.0° |
| C4 | C3 | C5 | H6 | 121.0° | 120.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H9 | 120.0° | 120.0° |
| C3 | C4 | H8 | H9 | 120.0° | 120.1° |
| C4 | C3 | C5 | H10 | 63.1° | 180.0° |
| C4 | C3 | C5 | H11 | 176.9° | 60.0° |
| C4 | C3 | C5 | H12 | 56.9° | 60.0° |
| C5 | C3 | C4 | H7 | 61.5° | 60.0° |
| C5 | C3 | C4 | H8 | 58.5° | 59.9° |
| C5 | C3 | C4 | H9 | 178.5° | 180.0° |
| C3 | C5 | H10 | H11 | 120.0° | 120.1° |
| C3 | C5 | H10 | H12 | 120.0° | 120.0° |
| C3 | C5 | H11 | H12 | 120.0° | 120.0° |
| H6 | C3 | C4 | H7 | 59.5° | 180.0° |
| H6 | C3 | C4 | H8 | 179.5° | 60.1° |
| H6 | C3 | C4 | H9 | 60.5° | 60.0° |
| H6 | C3 | C5 | H10 | 57.9° | 60.0° |
| H6 | C3 | C5 | H11 | 62.1° | 60.0° |
| H6 | C3 | C5 | H12 | 177.9° | 180.0° |
| H7 | C4 | H8 | H9 | 120.0° | 119.9° |
| H10 | C5 | H11 | H12 | 120.0° | 120.0° |
| C7 | C6 | O1 | H14 | 118.9° | 120.0° |
| C7 | C6 | O1 | H13 | 58.0° | 60.0° |
| C6 | C7 | O2 | N2 | 179.1° | 180.0° |
| C6 | C7 | N2 | C8 | 178.8° | 180.0° |
| C6 | C7 | N2 | H15 | 1.2° | 0.0° |
| O1 | C6 | C7 | O2 | 88.9° | 5.0° |
| O1 | C6 | C7 | N2 | 91.9° | 175.0° |
| H14 | C6 | O1 | H13 | 60.9° | 180.0° |
| H14 | C6 | C7 | O2 | 151.0° | 125.0° |
| H14 | C6 | C7 | N2 | 28.2° | 54.9° |
| O2 | C7 | N2 | C8 | 1.9° | 0.0° |
| O2 | C7 | N2 | H15 | 178.1° | 180.0° |
| C8 | N2 | H15 | C7 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 124.9° | 120.0° |
| N2 | C8 | C9 | H16 | 119.9° | 120.0° |
| N2 | C8 | C10 | H16 | 119.8° | 120.0° |
| N2 | C8 | C9 | O3 | 19.6° | 0.1° |
| N2 | C8 | C10 | C11 | 74.6° | 60.0° |
| N2 | C8 | C10 | C12 | 164.8° | 60.0° |
| N2 | C8 | C10 | H17 | 44.1° | 180.0° |
| N2 | C8 | C9 | N3 | 160.2° | 180.0° |
| H15 | N2 | C8 | C9 | 100.7° | 25.0° |
| H15 | N2 | C8 | C10 | 21.5° | 95.0° |
| H15 | N2 | C8 | H16 | 140.3° | 145.0° |
| C9 | C8 | C10 | H16 | 115.4° | 120.0° |
| C8 | C9 | O3 | N3 | 179.8° | 179.9° |
| C9 | C8 | C10 | C11 | 50.3° | 180.0° |
| C9 | C8 | C10 | C12 | 70.4° | 60.0° |
| C9 | C8 | C10 | H17 | 169.0° | 60.0° |
| C8 | C9 | N3 | C13 | 167.1° | 180.0° |
| C8 | C9 | N3 | H24 | 12.9° | 0.0° |
| C9 | C8 | N2 | C7 | 79.3° | 155.0° |
| C10 | C8 | C9 | O3 | 105.3° | 119.9° |
| C8 | C10 | C11 | C12 | 122.6° | 120.0° |
| C8 | C10 | C11 | H17 | 118.5° | 120.0° |
| C8 | C10 | C12 | H17 | 120.5° | 120.0° |
| C8 | C10 | C11 | H18 | 180.0° | 180.0° |
| C8 | C10 | C11 | H19 | 60.0° | 60.0° |
| C8 | C10 | C11 | H20 | 60.0° | 59.9° |
| C8 | C10 | C12 | H21 | 180.0° | 60.0° |
| C8 | C10 | C12 | H22 | 60.0° | 180.0° |
| C8 | C10 | C12 | H23 | 60.0° | 60.0° |
| C10 | C8 | N2 | C7 | 158.5° | 85.0° |
| C10 | C8 | C9 | N3 | 74.9° | 60.0° |
| H16 | C8 | C9 | O3 | 139.5° | 120.0° |
| H16 | C8 | C10 | C11 | 165.6° | 60.0° |
| H16 | C8 | C10 | C12 | 45.0° | 180.0° |
| H16 | C8 | C10 | H17 | 75.7° | 60.0° |
| H16 | C8 | N2 | C7 | 39.7° | 35.0° |
| H16 | C8 | C9 | N3 | 40.4° | 60.0° |
| O3 | C9 | N3 | C13 | 12.7° | 0.0° |
| O3 | C9 | N3 | H24 | 167.3° | 179.9° |
| C11 | C10 | C12 | H17 | 118.8° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H20 | 120.0° | 120.0° |
| C10 | C11 | H19 | H20 | 120.0° | 119.9° |
| C11 | C10 | C12 | H21 | 59.4° | 180.0° |
| C11 | C10 | C12 | H22 | 60.6° | 60.0° |
| C11 | C10 | C12 | H23 | 179.4° | 60.0° |
| C12 | C10 | C11 | H18 | 57.4° | 60.0° |
| C12 | C10 | C11 | H19 | 177.4° | 179.9° |
| C12 | C10 | C11 | H20 | 62.6° | 60.0° |
| C10 | C12 | H21 | H22 | 120.0° | 120.0° |
| C10 | C12 | H21 | H23 | 120.0° | 120.0° |
| C10 | C12 | H22 | H23 | 120.0° | 120.0° |
| H17 | C10 | C11 | H18 | 61.4° | 60.0° |
| H17 | C10 | C11 | H19 | 58.5° | 60.0° |
| H17 | C10 | C11 | H20 | 178.5° | 179.9° |
| H17 | C10 | C12 | H21 | 59.5° | 59.9° |
| H17 | C10 | C12 | H22 | 179.5° | 60.0° |
| H17 | C10 | C12 | H23 | 60.5° | 180.0° |
| H18 | C11 | H19 | H20 | 120.0° | 120.1° |
| H21 | C12 | H22 | H23 | 120.0° | 119.9° |
| C13 | N3 | H24 | C9 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 112.5° | 120.0° |
| N3 | C13 | C14 | H25 | 128.6° | 120.1° |
| N3 | C13 | C15 | H25 | 123.2° | 120.0° |
| N3 | C13 | C14 | O4 | 17.7° | 9.9° |
| N3 | C13 | C15 | C16 | 49.1° | 66.1° |
| N3 | C13 | C15 | C17 | 67.2° | 53.9° |
| N3 | C13 | C15 | H26 | 173.7° | 173.9° |
| N3 | C13 | C14 | N4 | 161.6° | 170.0° |
| H24 | N3 | C13 | C14 | 80.8° | 24.9° |
| H24 | N3 | C13 | C15 | 28.4° | 95.0° |
| H24 | N3 | C13 | H25 | 150.9° | 145.0° |
| C14 | C13 | C15 | H25 | 119.3° | 119.9° |
| C13 | C14 | O4 | N4 | 179.2° | 179.9° |
| C14 | C13 | C15 | C16 | 166.7° | 173.9° |
| C14 | C13 | C15 | C17 | 50.4° | 66.1° |
| C14 | C13 | C15 | H26 | 68.7° | 53.8° |
| C13 | C14 | N4 | C18 | 179.6° | 175.3° |
| C13 | C14 | N4 | H33 | 0.5° | 4.7° |
| C14 | C13 | N3 | C9 | 99.2° | 155.0° |
| C15 | C13 | C14 | O4 | 94.8° | 110.1° |
| C13 | C15 | C16 | C17 | 112.5° | 119.9° |
| C13 | C15 | C16 | H26 | 124.6° | 120.0° |
| C13 | C15 | C17 | H26 | 119.2° | 120.0° |
| C13 | C15 | C16 | H27 | 180.0° | 58.4° |
| C13 | C15 | C16 | H28 | 60.0° | 178.4° |
| C13 | C15 | C16 | H29 | 60.0° | 61.6° |
| C13 | C15 | C17 | H30 | 180.0° | 60.0° |
| C13 | C15 | C17 | H31 | 60.0° | 180.0° |
| C13 | C15 | C17 | H32 | 60.0° | 60.0° |
| C15 | C13 | N3 | C9 | 151.7° | 85.0° |
| C15 | C13 | C14 | N4 | 86.0° | 70.0° |
| H25 | C13 | C14 | O4 | 146.3° | 130.0° |
| H25 | C13 | C15 | C16 | 74.0° | 53.9° |
| H25 | C13 | C15 | C17 | 169.7° | 173.9° |
| H25 | C13 | C15 | H26 | 50.6° | 66.1° |
| H25 | C13 | N3 | C9 | 29.1° | 35.0° |
| H25 | C13 | C14 | N4 | 33.0° | 49.9° |
| O4 | C14 | N4 | C18 | 1.3° | 4.6° |
| O4 | C14 | N4 | H33 | 178.7° | 175.3° |
| C16 | C15 | C17 | H26 | 122.9° | 120.1° |
| C15 | C16 | H27 | H28 | 120.0° | 119.9° |
| C15 | C16 | H27 | H29 | 120.0° | 120.0° |
| C15 | C16 | H28 | H29 | 120.0° | 120.0° |
| C16 | C15 | C17 | H30 | 62.1° | 180.0° |
| C16 | C15 | C17 | H31 | 57.9° | 60.0° |
| C16 | C15 | C17 | H32 | 177.9° | 60.0° |
| C17 | C15 | C16 | H27 | 67.5° | 61.5° |
| C17 | C15 | C16 | H28 | 172.5° | 58.4° |
| C17 | C15 | C16 | H29 | 52.5° | 178.5° |
| C15 | C17 | H30 | H31 | 120.0° | 119.9° |
| C15 | C17 | H30 | H32 | 120.0° | 120.0° |
| C15 | C17 | H31 | H32 | 120.0° | 119.9° |
| H26 | C15 | C16 | H27 | 55.4° | 178.4° |
| H26 | C15 | C16 | H28 | 64.6° | 61.6° |
| H26 | C15 | C16 | H29 | 175.4° | 58.4° |
| H26 | C15 | C17 | H30 | 60.8° | 60.0° |
| H26 | C15 | C17 | H31 | 179.2° | 60.0° |
| H26 | C15 | C17 | H32 | 59.2° | 180.0° |
| H27 | C16 | H28 | H29 | 120.0° | 120.1° |
| H30 | C17 | H31 | H32 | 120.0° | 120.1° |
| C18 | N4 | H33 | C14 | 180.0° | 180.0° |
| N4 | C18 | C19 | C20 | 122.4° | 120.0° |
| N4 | C18 | C19 | H34 | 118.1° | 120.0° |
| N4 | C18 | C20 | H34 | 117.8° | 120.0° |
| N4 | C18 | C19 | O5 | 41.1° | 0.0° |
| N4 | C18 | C19 | O8 | 137.8° | 180.0° |
| N4 | C18 | C20 | C21 | 153.2° | 65.0° |
| N4 | C18 | C20 | H35 | 85.9° | 55.0° |
| N4 | C18 | C20 | H36 | 32.2° | 175.0° |
| H33 | N4 | C18 | C19 | 30.5° | 95.0° |
| H33 | N4 | C18 | C20 | 155.9° | 25.0° |
| H33 | N4 | C18 | H34 | 87.0° | 145.0° |
| C19 | C18 | C20 | H34 | 119.6° | 120.0° |
| C18 | C19 | O5 | O8 | 178.9° | 180.0° |
| C19 | C18 | C20 | C21 | 30.6° | 175.0° |
| C19 | C18 | C20 | H35 | 151.5° | 65.0° |
| C19 | C18 | C20 | H36 | 90.4° | 55.0° |
| C18 | C19 | O8 | H38 | 179.0° | 180.0° |
| C19 | C18 | N4 | C14 | 149.5° | 85.0° |
| C20 | C18 | C19 | O5 | 81.3° | 120.0° |
| C20 | C18 | C19 | O8 | 99.8° | 60.0° |
| C18 | C20 | C21 | H35 | 120.9° | 120.0° |
| C18 | C20 | C21 | H36 | 121.0° | 120.0° |
| C18 | C20 | H35 | H36 | 117.0° | 120.0° |
| C18 | C20 | C21 | O6 | 24.0° | 0.0° |
| C18 | C20 | C21 | O7 | 154.0° | 180.0° |
| C20 | C18 | N4 | C14 | 24.1° | 155.0° |
| H34 | C18 | C19 | O5 | 159.1° | 120.0° |
| H34 | C18 | C19 | O8 | 19.7° | 60.0° |
| H34 | C18 | C20 | C21 | 89.0° | 55.0° |
| H34 | C18 | C20 | H35 | 31.9° | 175.0° |
| H34 | C18 | C20 | H36 | 150.0° | 65.0° |
| H34 | C18 | N4 | C14 | 93.0° | 35.0° |
| O5 | C19 | O8 | H38 | 0.0° | 0.0° |
| C21 | C20 | H35 | H36 | 117.0° | 120.0° |
| C20 | C21 | O6 | O7 | 177.8° | 180.0° |
| C20 | C21 | O7 | H37 | 177.8° | 180.0° |
| H35 | C20 | C21 | O6 | 97.0° | 120.0° |
| H35 | C20 | C21 | O7 | 85.0° | 60.0° |
| H36 | C20 | C21 | O6 | 145.0° | 120.0° |
| H36 | C20 | C21 | O7 | 33.1° | 60.0° |
| O6 | C21 | O7 | H37 | 0.0° | 0.0° |
