PRD_000793
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 | 1.47Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.26Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | doub | 1.21Å | 1.26Å | |
| C10 | O5 | sing | 1.34Å | 1.26Å | |
| O5 | H15 | sing | 0.97Å | 0.95Å | |
| N3 | C11 | sing | 1.46Å | 1.47Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | C13 | sing | 1.53Å | 1.56Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | O6 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | C16 | sing | 1.53Å | 1.58Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.49Å | |
| C17 | O7 | sing | 1.43Å | 1.29Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| N4 | C18 | sing | 1.46Å | 1.44Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| O7 | H30 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | N5 | sing | 1.47Å | 1.44Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| N5 | H40 | sing | 1.01Å | 1.00Å | |
| N5 | H41 | sing | 1.01Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | N3 | sing | 1.35Å | 1.33Å | |
| C12 | N4 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.7° | 120.0° |
| O1 | C1 | N1 | 121.8° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 115.2° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.4° | 120.0° |
| N1 | C3 | C4 | 108.8° | 109.4° |
| N1 | C3 | C5 | 112.1° | 109.5° |
| N1 | C3 | H5 | 109.1° | 109.5° |
| C3 | N1 | C1 | 123.2° | 120.0° |
| H4 | N1 | C1 | 118.4° | 120.0° |
| C4 | C3 | C5 | 110.2° | 109.4° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | O2 | 121.3° | 120.0° |
| C3 | C4 | N2 | 115.3° | 120.0° |
| C5 | C3 | H5 | 107.9° | 109.5° |
| C3 | C5 | H6 | 109.5° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.5° |
| O2 | C4 | N2 | 123.4° | 120.1° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| C6 | N2 | H9 | 119.8° | 120.0° |
| N2 | C6 | C7 | 114.1° | 109.5° |
| N2 | C6 | C8 | 111.6° | 109.5° |
| N2 | C6 | H10 | 107.2° | 109.4° |
| C6 | N2 | C4 | 120.4° | 120.0° |
| H9 | N2 | C4 | 119.8° | 120.1° |
| C7 | C6 | C8 | 110.4° | 109.5° |
| C7 | C6 | H10 | 106.7° | 109.5° |
| C6 | C7 | O3 | 120.6° | 120.0° |
| C6 | C7 | N3 | 117.0° | 120.0° |
| C8 | C6 | H10 | 106.4° | 109.5° |
| C6 | C8 | C9 | 113.9° | 109.5° |
| C6 | C8 | H11 | 108.4° | 109.5° |
| C6 | C8 | H12 | 108.4° | 109.5° |
| O3 | C7 | N3 | 122.4° | 120.0° |
| C9 | C8 | H11 | 108.4° | 109.5° |
| C9 | C8 | H12 | 108.3° | 109.5° |
| C8 | C9 | C10 | 113.1° | 109.5° |
| C8 | C9 | H13 | 108.6° | 109.5° |
| C8 | C9 | H14 | 108.5° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| C10 | C9 | H13 | 108.6° | 109.5° |
| C10 | C9 | H14 | 108.5° | 109.5° |
| C9 | C10 | O4 | 119.4° | 120.0° |
| C9 | C10 | O5 | 117.7° | 120.0° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| O4 | C10 | O5 | 122.9° | 120.0° |
| C10 | O5 | H15 | 109.5° | 117.0° |
| C11 | N3 | H16 | 119.9° | 120.1° |
| N3 | C11 | C12 | 106.4° | 109.4° |
| N3 | C11 | C13 | 111.3° | 109.5° |
| N3 | C11 | H17 | 109.6° | 109.5° |
| C11 | N3 | C7 | 120.3° | 120.0° |
| H16 | N3 | C7 | 119.8° | 119.9° |
| C12 | C11 | C13 | 112.1° | 109.5° |
| C12 | C11 | H17 | 109.1° | 109.5° |
| C11 | C12 | O6 | 119.6° | 120.0° |
| C11 | C12 | N4 | 117.6° | 120.0° |
| C13 | C11 | H17 | 108.3° | 109.5° |
| C11 | C13 | C14 | 112.3° | 109.5° |
| C11 | C13 | C15 | 110.8° | 109.5° |
| C11 | C13 | H18 | 107.3° | 109.4° |
| O6 | C12 | N4 | 122.8° | 120.0° |
| C14 | C13 | C15 | 111.1° | 109.5° |
| C14 | C13 | H18 | 107.5° | 109.5° |
| C13 | C14 | C16 | 113.6° | 109.5° |
| C13 | C14 | H19 | 108.4° | 109.5° |
| C13 | C14 | H20 | 108.4° | 109.4° |
| C15 | C13 | H18 | 107.6° | 109.5° |
| C13 | C15 | H21 | 109.5° | 109.5° |
| C13 | C15 | H22 | 109.4° | 109.5° |
| C13 | C15 | H23 | 109.5° | 109.4° |
| C16 | C14 | H19 | 108.4° | 109.5° |
| C16 | C14 | H20 | 108.4° | 109.5° |
| C14 | C16 | H24 | 109.5° | 109.5° |
| C14 | C16 | H25 | 109.5° | 109.5° |
| C14 | C16 | H26 | 109.5° | 109.4° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H21 | C15 | H23 | 109.5° | 109.4° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H26 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.4° | 109.4° |
| C18 | C17 | O7 | 114.2° | 109.5° |
| C18 | C17 | H27 | 108.3° | 109.5° |
| C18 | C17 | H28 | 108.3° | 109.4° |
| C17 | C18 | N4 | 116.5° | 109.5° |
| C17 | C18 | C19 | 105.1° | 109.4° |
| C17 | C18 | H31 | 108.7° | 109.5° |
| O7 | C17 | H27 | 108.3° | 109.5° |
| O7 | C17 | H28 | 108.3° | 109.5° |
| C17 | O7 | H30 | 109.5° | 114.0° |
| H27 | C17 | H28 | 109.5° | 109.4° |
| C18 | N4 | H29 | 119.8° | 120.1° |
| N4 | C18 | C19 | 108.8° | 109.4° |
| N4 | C18 | H31 | 109.4° | 109.5° |
| C18 | N4 | C12 | 120.4° | 120.0° |
| H29 | N4 | C12 | 119.8° | 120.0° |
| C19 | C18 | H31 | 108.0° | 109.5° |
| C18 | C19 | C22 | 113.2° | 109.5° |
| C18 | C19 | H32 | 108.5° | 109.5° |
| C18 | C19 | H33 | 108.5° | 109.5° |
| C22 | C19 | H32 | 108.5° | 109.5° |
| C22 | C19 | H33 | 108.5° | 109.4° |
| C19 | C22 | C20 | 116.8° | 109.5° |
| C19 | C22 | H38 | 107.6° | 109.5° |
| C19 | C22 | H39 | 107.6° | 109.4° |
| H32 | C19 | H33 | 109.4° | 109.5° |
| C21 | C20 | C22 | 115.7° | 109.5° |
| C21 | C20 | H34 | 107.9° | 109.5° |
| C21 | C20 | H35 | 107.9° | 109.4° |
| C20 | C21 | N5 | 116.4° | 109.5° |
| C20 | C21 | H36 | 107.7° | 109.4° |
| C20 | C21 | H37 | 107.7° | 109.5° |
| C22 | C20 | H34 | 107.9° | 109.5° |
| C22 | C20 | H35 | 107.9° | 109.5° |
| C20 | C22 | H38 | 107.6° | 109.5° |
| C20 | C22 | H39 | 107.6° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.5° |
| N5 | C21 | H36 | 107.7° | 109.5° |
| N5 | C21 | H37 | 107.7° | 109.5° |
| C21 | N5 | H40 | 109.5° | 111.0° |
| C21 | N5 | H41 | 109.5° | 111.0° |
| H36 | C21 | H37 | 109.4° | 109.4° |
| H38 | C22 | H39 | 109.5° | 109.5° |
| H40 | N5 | H41 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 163.2° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.1° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 23.4° | 0.0° |
| O1 | C1 | N1 | H4 | 156.7° | 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 | 173.7° | 179.7° |
| C2 | C1 | N1 | H4 | 6.3° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 163.2° | 89.7° |
| H2 | C2 | C1 | N1 | 76.8° | 30.3° |
| H3 | C2 | C1 | N1 | 43.2° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 123.3° | 120.0° |
| N1 | C3 | C4 | H5 | 118.7° | 120.0° |
| N1 | C3 | C5 | H5 | 120.2° | 120.0° |
| N1 | C3 | C4 | O2 | 118.7° | 0.0° |
| N1 | C3 | C5 | H6 | 180.0° | 60.0° |
| N1 | C3 | C5 | H7 | 60.0° | 180.0° |
| N1 | C3 | C5 | H8 | 60.0° | 60.1° |
| N1 | C3 | C4 | N2 | 62.6° | 180.0° |
| H4 | N1 | C3 | C4 | 57.5° | 25.0° |
| H4 | N1 | C3 | C5 | 64.7° | 94.9° |
| H4 | N1 | C3 | H5 | 175.8° | 145.0° |
| C4 | C3 | C5 | H5 | 118.5° | 120.0° |
| C3 | C4 | O2 | N2 | 178.7° | 179.9° |
| C4 | C3 | C5 | H6 | 58.7° | 60.0° |
| C4 | C3 | C5 | H7 | 178.7° | 60.1° |
| C4 | C3 | C5 | H8 | 61.3° | 180.0° |
| C3 | C4 | N2 | C6 | 166.6° | 180.0° |
| C3 | C4 | N2 | H9 | 13.4° | 0.0° |
| C4 | C3 | N1 | C1 | 122.5° | 155.0° |
| C5 | C3 | C4 | O2 | 4.6° | 120.0° |
| C3 | C5 | H6 | H7 | 120.0° | 120.0° |
| C3 | C5 | H6 | H8 | 120.0° | 120.0° |
| C3 | C5 | H7 | H8 | 120.0° | 119.9° |
| C5 | C3 | N1 | C1 | 115.3° | 85.0° |
| C5 | C3 | C4 | N2 | 174.2° | 60.1° |
| H5 | C3 | C4 | O2 | 122.7° | 120.0° |
| H5 | C3 | C5 | H6 | 59.8° | 180.0° |
| H5 | C3 | C5 | H7 | 60.2° | 59.9° |
| H5 | C3 | C5 | H8 | 179.8° | 60.0° |
| H5 | C3 | N1 | C1 | 4.2° | 35.0° |
| H5 | C3 | C4 | N2 | 56.1° | 60.0° |
| O2 | C4 | N2 | C6 | 14.7° | 0.0° |
| O2 | C4 | N2 | H9 | 165.4° | 180.0° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| C6 | N2 | H9 | C4 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 126.6° | 120.0° |
| N2 | C6 | C7 | H10 | 118.2° | 120.0° |
| N2 | C6 | C8 | H10 | 116.6° | 120.0° |
| N2 | C6 | C7 | O3 | 175.1° | 0.1° |
| N2 | C6 | C8 | C9 | 54.7° | 65.0° |
| N2 | C6 | C8 | H11 | 65.9° | 55.0° |
| N2 | C6 | C8 | H12 | 175.4° | 175.0° |
| N2 | C6 | C7 | N3 | 7.0° | 180.0° |
| H9 | N2 | C6 | C7 | 69.2° | 25.0° |
| H9 | N2 | C6 | C8 | 56.8° | 95.0° |
| H9 | N2 | C6 | H10 | 172.9° | 145.0° |
| C7 | C6 | C8 | H10 | 115.5° | 120.0° |
| C6 | C7 | O3 | N3 | 177.7° | 179.9° |
| C7 | C6 | C8 | C9 | 177.3° | 174.9° |
| C7 | C6 | C8 | H11 | 62.0° | 65.0° |
| C7 | C6 | C8 | H12 | 56.7° | 54.9° |
| C6 | C7 | N3 | C11 | 176.5° | 175.2° |
| C6 | C7 | N3 | H16 | 3.5° | 4.9° |
| C7 | C6 | N2 | C4 | 110.8° | 155.0° |
| C8 | C6 | C7 | O3 | 48.6° | 120.0° |
| C6 | C8 | C9 | H11 | 120.7° | 120.0° |
| C6 | C8 | C9 | H12 | 120.6° | 120.0° |
| C6 | C8 | H11 | H12 | 118.0° | 120.0° |
| C6 | C8 | C9 | C10 | 62.4° | 180.0° |
| C6 | C8 | C9 | H13 | 58.1° | 60.0° |
| C6 | C8 | C9 | H14 | 177.1° | 60.0° |
| C8 | C6 | N2 | C4 | 123.2° | 85.0° |
| C8 | C6 | C7 | N3 | 133.6° | 59.9° |
| H10 | C6 | C7 | O3 | 66.7° | 120.0° |
| H10 | C6 | C8 | C9 | 61.9° | 55.0° |
| H10 | C6 | C8 | H11 | 177.5° | 175.0° |
| H10 | C6 | C8 | H12 | 58.8° | 65.0° |
| H10 | C6 | N2 | C4 | 7.0° | 35.0° |
| H10 | C6 | C7 | N3 | 111.1° | 60.0° |
| O3 | C7 | N3 | C11 | 1.3° | 4.7° |
| O3 | C7 | N3 | H16 | 178.7° | 175.2° |
| C9 | C8 | H11 | H12 | 118.0° | 120.0° |
| C8 | C9 | C10 | H13 | 120.6° | 120.0° |
| C8 | C9 | C10 | H14 | 120.5° | 119.9° |
| C8 | C9 | H13 | H14 | 118.3° | 119.9° |
| C8 | C9 | C10 | O4 | 22.6° | 0.1° |
| C8 | C9 | C10 | O5 | 156.6° | 180.0° |
| H11 | C8 | C9 | C10 | 176.9° | 59.9° |
| H11 | C8 | C9 | H13 | 62.5° | 180.0° |
| H11 | C8 | C9 | H14 | 56.4° | 60.0° |
| H12 | C8 | C9 | C10 | 58.2° | 60.0° |
| H12 | C8 | C9 | H13 | 178.8° | 60.0° |
| H12 | C8 | C9 | H14 | 62.3° | 180.0° |
| C10 | C9 | H13 | H14 | 118.3° | 120.0° |
| C9 | C10 | O4 | O5 | 179.1° | 179.9° |
| C9 | C10 | O5 | H15 | 179.1° | 180.0° |
| H13 | C9 | C10 | O4 | 143.2° | 119.9° |
| H13 | C9 | C10 | O5 | 36.0° | 60.0° |
| H14 | C9 | C10 | O4 | 97.9° | 120.0° |
| H14 | C9 | C10 | O5 | 82.9° | 60.1° |
| O4 | C10 | O5 | H15 | 0.0° | 0.1° |
| C11 | N3 | H16 | C7 | 180.0° | 179.9° |
| N3 | C11 | C12 | C13 | 121.9° | 120.0° |
| N3 | C11 | C12 | H17 | 118.1° | 120.0° |
| N3 | C11 | C13 | H17 | 120.5° | 120.0° |
| N3 | C11 | C12 | O6 | 66.6° | 2.0° |
| N3 | C11 | C13 | C14 | 50.2° | 53.6° |
| N3 | C11 | C13 | C15 | 175.1° | 66.4° |
| N3 | C11 | C13 | H18 | 67.7° | 173.6° |
| N3 | C11 | C12 | N4 | 113.3° | 177.9° |
| H16 | N3 | C11 | C12 | 88.5° | 37.3° |
| H16 | N3 | C11 | C13 | 33.9° | 82.7° |
| H16 | N3 | C11 | H17 | 153.6° | 157.3° |
| C12 | C11 | C13 | H17 | 120.5° | 120.0° |
| C11 | C12 | O6 | N4 | 179.9° | 180.0° |
| C12 | C11 | C13 | C14 | 169.2° | 66.4° |
| C12 | C11 | C13 | C15 | 65.8° | 173.6° |
| C12 | C11 | C13 | H18 | 51.3° | 53.6° |
| C11 | C12 | N4 | C18 | 172.8° | 175.3° |
| C11 | C12 | N4 | H29 | 7.2° | 4.7° |
| C12 | C11 | N3 | C7 | 91.5° | 142.8° |
| C13 | C11 | C12 | O6 | 55.3° | 118.0° |
| C11 | C13 | C14 | C15 | 124.7° | 120.0° |
| C11 | C13 | C14 | H18 | 117.8° | 120.0° |
| C11 | C13 | C15 | H18 | 117.0° | 120.0° |
| C11 | C13 | C14 | C16 | 57.8° | 68.3° |
| C11 | C13 | C14 | H19 | 62.8° | 171.6° |
| C11 | C13 | C14 | H20 | 178.4° | 51.7° |
| C11 | C13 | C15 | H21 | 180.0° | 66.0° |
| C11 | C13 | C15 | H22 | 60.0° | 173.9° |
| C11 | C13 | C15 | H23 | 60.0° | 53.9° |
| C13 | C11 | N3 | C7 | 146.1° | 97.2° |
| C13 | C11 | C12 | N4 | 124.8° | 62.1° |
| H17 | C11 | C12 | O6 | 175.3° | 122.0° |
| H17 | C11 | C13 | C14 | 70.3° | 173.6° |
| H17 | C11 | C13 | C15 | 54.6° | 53.6° |
| H17 | C11 | C13 | H18 | 171.8° | 66.4° |
| H17 | C11 | N3 | C7 | 26.4° | 22.8° |
| H17 | C11 | C12 | N4 | 4.8° | 58.0° |
| O6 | C12 | N4 | C18 | 7.1° | 4.7° |
| O6 | C12 | N4 | H29 | 172.9° | 175.4° |
| C14 | C13 | C15 | H18 | 117.4° | 120.0° |
| C13 | C14 | C16 | H19 | 120.6° | 120.0° |
| C13 | C14 | C16 | H20 | 120.6° | 119.9° |
| C13 | C14 | H19 | H20 | 118.1° | 119.9° |
| C14 | C13 | C15 | H21 | 54.4° | 54.0° |
| C14 | C13 | C15 | H22 | 174.4° | 66.0° |
| C14 | C13 | C15 | H23 | 65.6° | 174.0° |
| C13 | C14 | C16 | H24 | 180.0° | 74.6° |
| C13 | C14 | C16 | H25 | 60.0° | 45.5° |
| C13 | C14 | C16 | H26 | 60.0° | 165.4° |
| C15 | C13 | C14 | C16 | 67.0° | 171.6° |
| C15 | C13 | C14 | H19 | 172.4° | 51.6° |
| C15 | C13 | C14 | H20 | 53.7° | 68.4° |
| C13 | C15 | H21 | H22 | 120.0° | 120.1° |
| C13 | C15 | H21 | H23 | 120.0° | 119.9° |
| C13 | C15 | H22 | H23 | 120.0° | 120.0° |
| H18 | C13 | C14 | C16 | 175.6° | 51.6° |
| H18 | C13 | C14 | H19 | 55.0° | 68.4° |
| H18 | C13 | C14 | H20 | 63.8° | 171.6° |
| H18 | C13 | C15 | H21 | 63.0° | 174.0° |
| H18 | C13 | C15 | H22 | 57.0° | 54.0° |
| H18 | C13 | C15 | H23 | 177.0° | 66.0° |
| C16 | C14 | H19 | H20 | 118.1° | 120.1° |
| C14 | C16 | H24 | H25 | 120.0° | 120.1° |
| C14 | C16 | H24 | H26 | 120.0° | 119.9° |
| C14 | C16 | H25 | H26 | 120.0° | 119.9° |
| H19 | C14 | C16 | H24 | 59.4° | 165.3° |
| H19 | C14 | C16 | H25 | 179.5° | 74.6° |
| H19 | C14 | C16 | H26 | 60.6° | 45.4° |
| H20 | C14 | C16 | H24 | 59.4° | 45.3° |
| H20 | C14 | C16 | H25 | 60.7° | 165.4° |
| H20 | C14 | C16 | H26 | 179.4° | 74.6° |
| H21 | C15 | H22 | H23 | 120.0° | 120.0° |
| H24 | C16 | H25 | H26 | 120.0° | 120.0° |
| C18 | C17 | O7 | H27 | 120.7° | 120.0° |
| C18 | C17 | O7 | H28 | 120.7° | 120.0° |
| C18 | C17 | H27 | H28 | 117.9° | 119.9° |
| C17 | C18 | N4 | C19 | 118.5° | 119.9° |
| C17 | C18 | N4 | H31 | 123.7° | 120.1° |
| C17 | C18 | N4 | H29 | 59.2° | 95.0° |
| C18 | C17 | O7 | H30 | 180.0° | 180.0° |
| C17 | C18 | C19 | H31 | 115.9° | 120.0° |
| C17 | C18 | C19 | C22 | 177.2° | 175.0° |
| C17 | C18 | C19 | H32 | 62.2° | 65.0° |
| C17 | C18 | C19 | H33 | 56.6° | 55.0° |
| C17 | C18 | N4 | C12 | 120.8° | 85.0° |
| O7 | C17 | H27 | H28 | 117.9° | 120.0° |
| O7 | C17 | C18 | N4 | 177.9° | 64.9° |
| O7 | C17 | C18 | C19 | 61.5° | 55.0° |
| O7 | C17 | C18 | H31 | 53.9° | 175.0° |
| H27 | C17 | C18 | N4 | 61.4° | 175.0° |
| H27 | C17 | O7 | H30 | 59.3° | 59.9° |
| H27 | C17 | C18 | C19 | 59.2° | 65.0° |
| H27 | C17 | C18 | H31 | 174.6° | 54.9° |
| H28 | C17 | C18 | N4 | 57.2° | 55.1° |
| H28 | C17 | O7 | H30 | 59.3° | 60.1° |
| H28 | C17 | C18 | C19 | 177.8° | 175.0° |
| H28 | C17 | C18 | H31 | 66.8° | 65.0° |
| C18 | N4 | H29 | C12 | 180.0° | 180.0° |
| N4 | C18 | C19 | H31 | 118.7° | 120.0° |
| N4 | C18 | C19 | C22 | 57.3° | 65.1° |
| N4 | C18 | C19 | H32 | 63.2° | 55.0° |
| N4 | C18 | C19 | H33 | 177.9° | 175.0° |
| H29 | N4 | C18 | C19 | 59.3° | 25.0° |
| H29 | N4 | C18 | H31 | 177.1° | 145.0° |
| C18 | C19 | C22 | H32 | 120.6° | 120.1° |
| C18 | C19 | C22 | H33 | 120.6° | 120.0° |
| C18 | C19 | H32 | H33 | 118.3° | 120.0° |
| C18 | C19 | C22 | C20 | 172.7° | 180.0° |
| C18 | C19 | C22 | H38 | 51.7° | 59.9° |
| C18 | C19 | C22 | H39 | 66.2° | 60.0° |
| C19 | C18 | N4 | C12 | 120.7° | 155.0° |
| H31 | C18 | C19 | C22 | 61.3° | 55.0° |
| H31 | C18 | C19 | H32 | 178.1° | 175.0° |
| H31 | C18 | C19 | H33 | 59.2° | 65.0° |
| H31 | C18 | N4 | C12 | 2.9° | 35.0° |
| C22 | C19 | H32 | H33 | 118.3° | 119.9° |
| C19 | C22 | C20 | C21 | 178.6° | 180.0° |
| C19 | C22 | C20 | H38 | 121.0° | 120.0° |
| C19 | C22 | C20 | H39 | 121.1° | 120.0° |
| C19 | C22 | C20 | H34 | 57.7° | 60.0° |
| C19 | C22 | C20 | H35 | 60.4° | 60.0° |
| C19 | C22 | H38 | H39 | 116.7° | 119.9° |
| H32 | C19 | C22 | C20 | 66.7° | 59.9° |
| H32 | C19 | C22 | H38 | 172.2° | 180.0° |
| H32 | C19 | C22 | H39 | 54.4° | 60.0° |
| H33 | C19 | C22 | C20 | 52.1° | 60.0° |
| H33 | C19 | C22 | H38 | 68.9° | 60.0° |
| H33 | C19 | C22 | H39 | 173.2° | NaN° |
| C21 | C20 | C22 | H34 | 120.9° | 120.0° |
| C21 | C20 | C22 | H35 | 120.9° | 120.0° |
| C21 | C20 | H34 | H35 | 117.2° | 120.0° |
| C20 | C21 | N5 | H36 | 121.0° | 120.0° |
| C20 | C21 | N5 | H37 | 121.0° | 120.1° |
| C20 | C21 | H36 | H37 | 116.9° | 120.0° |
| C21 | C20 | C22 | H38 | 57.6° | 60.0° |
| C21 | C20 | C22 | H39 | 60.3° | 60.0° |
| C20 | C21 | N5 | H40 | 180.0° | 56.0° |
| C20 | C21 | N5 | H41 | 60.0° | 180.0° |
| C22 | C20 | H34 | H35 | 117.2° | 120.0° |
| C22 | C20 | C21 | N5 | 162.3° | 180.0° |
| C22 | C20 | C21 | H36 | 41.3° | 60.0° |
| C22 | C20 | C21 | H37 | 76.7° | 60.0° |
| C20 | C22 | H38 | H39 | 116.7° | 120.0° |
| H34 | C20 | C21 | N5 | 41.4° | 60.0° |
| H34 | C20 | C21 | H36 | 79.6° | 60.0° |
| H34 | C20 | C21 | H37 | 162.4° | 180.0° |
| H34 | C20 | C22 | H38 | 63.3° | 60.0° |
| H34 | C20 | C22 | H39 | 178.8° | 180.0° |
| H35 | C20 | C21 | N5 | 76.8° | 60.0° |
| H35 | C20 | C21 | H36 | 162.2° | 180.0° |
| H35 | C20 | C21 | H37 | 44.3° | 60.1° |
| H35 | C20 | C22 | H38 | 178.5° | 180.0° |
| H35 | C20 | C22 | H39 | 60.6° | 60.0° |
| N5 | C21 | H36 | H37 | 116.9° | 120.0° |
| C21 | N5 | H40 | H41 | 120.0° | 124.0° |
| H36 | C21 | N5 | H40 | 59.0° | 64.0° |
| H36 | C21 | N5 | H41 | 179.0° | 60.0° |
| H37 | C21 | N5 | H40 | 58.9° | 176.0° |
| H37 | C21 | N5 | H41 | 61.0° | 60.0° |
