PRD_000924
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| 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 | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.25Å | |
| C6 | O4 | sing | 1.34Å | 1.24Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| N2 | C7 | sing | 1.46Å | 1.46Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | O5 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | O6 | doub | 1.21Å | 1.25Å | |
| C11 | O7 | sing | 1.34Å | 1.26Å | |
| O7 | H15 | sing | 0.97Å | 0.95Å | |
| N3 | C12 | sing | 1.46Å | 1.46Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | O8 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | O9 | sing | 1.43Å | 1.27Å | |
| N4 | C18 | sing | 1.46Å | 1.45Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C20 | O11 | sing | 1.34Å | 1.24Å | |
| O10 | C20 | doub | 1.21Å | 1.23Å | |
| O11 | H29 | sing | 0.97Å | 0.95Å | |
| O9 | H30 | sing | 0.97Å | 0.95Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | CL1 | sing | 1.80Å | 31.14Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å | |
| C8 | N3 | sing | 1.35Å | 1.33Å | |
| C13 | N4 | sing | 1.35Å | 1.32Å | |
| C17 | C21 | sing | 1.53Å | 1.59Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.4° | 120.0° |
| O1 | C1 | N1 | 123.6° | 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 | 117.2° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.4° |
| C3 | N1 | H4 | 118.6° | 120.0° |
| N1 | C3 | C4 | 112.4° | 109.5° |
| N1 | C3 | C5 | 111.2° | 109.4° |
| N1 | C3 | H5 | 108.6° | 109.4° |
| C3 | N1 | C1 | 122.8° | 120.0° |
| H4 | N1 | C1 | 118.6° | 120.0° |
| C4 | C3 | C5 | 108.7° | 109.5° |
| C4 | C3 | H5 | 107.9° | 109.5° |
| C3 | C4 | O2 | 121.1° | 120.0° |
| C3 | C4 | N2 | 115.4° | 120.0° |
| C5 | C3 | H5 | 107.9° | 109.5° |
| C3 | C5 | C6 | 112.5° | 109.5° |
| C3 | C5 | H6 | 108.7° | 109.5° |
| C3 | C5 | H7 | 108.7° | 109.4° |
| O2 | C4 | N2 | 123.4° | 120.0° |
| C6 | C5 | H6 | 108.7° | 109.5° |
| C6 | C5 | H7 | 108.7° | 109.5° |
| C5 | C6 | O3 | 118.9° | 120.0° |
| C5 | C6 | O4 | 117.3° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| O3 | C6 | O4 | 123.8° | 120.0° |
| C6 | O4 | H8 | 109.5° | 116.9° |
| C7 | N2 | H9 | 118.7° | 120.0° |
| N2 | C7 | C8 | 107.6° | 109.5° |
| N2 | C7 | C9 | 110.2° | 109.4° |
| N2 | C7 | H10 | 110.1° | 109.5° |
| C7 | N2 | C4 | 122.6° | 120.0° |
| H9 | N2 | C4 | 118.7° | 120.0° |
| C8 | C7 | C9 | 110.7° | 109.5° |
| C8 | C7 | H10 | 109.2° | 109.5° |
| C7 | C8 | O5 | 120.3° | 120.0° |
| C7 | C8 | N3 | 116.6° | 120.0° |
| C9 | C7 | H10 | 109.0° | 109.5° |
| C7 | C9 | C10 | 112.3° | 109.5° |
| C7 | C9 | H11 | 108.7° | 109.5° |
| C7 | C9 | H12 | 108.7° | 109.5° |
| O5 | C8 | N3 | 123.1° | 120.0° |
| C10 | C9 | H11 | 108.8° | 109.4° |
| C10 | C9 | H12 | 108.8° | 109.5° |
| C9 | C10 | C11 | 114.2° | 109.5° |
| C9 | C10 | H13 | 108.3° | 109.4° |
| C9 | C10 | H14 | 108.3° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| C11 | C10 | H13 | 108.3° | 109.5° |
| C11 | C10 | H14 | 108.3° | 109.5° |
| C10 | C11 | O6 | 119.2° | 120.0° |
| C10 | C11 | O7 | 118.0° | 120.0° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| O6 | C11 | O7 | 122.8° | 120.0° |
| C11 | O7 | H15 | 109.5° | 117.0° |
| C12 | N3 | H16 | 120.1° | 120.1° |
| N3 | C12 | C13 | 111.7° | 109.5° |
| N3 | C12 | C14 | 113.9° | 109.5° |
| N3 | C12 | H17 | 108.3° | 109.5° |
| C12 | N3 | C8 | 119.8° | 120.0° |
| H16 | N3 | C8 | 120.1° | 120.0° |
| C13 | C12 | C14 | 107.9° | 109.4° |
| C13 | C12 | H17 | 107.7° | 109.5° |
| C12 | C13 | O8 | 121.7° | 120.0° |
| C12 | C13 | N4 | 114.0° | 120.0° |
| C14 | C12 | H17 | 107.2° | 109.5° |
| C12 | C14 | C15 | 110.8° | 109.5° |
| C12 | C14 | C16 | 111.9° | 109.5° |
| C12 | C14 | H18 | 107.1° | 109.5° |
| O8 | C13 | N4 | 124.3° | 120.0° |
| C15 | C14 | C16 | 112.0° | 109.5° |
| C15 | C14 | H18 | 107.6° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C15 | H20 | 109.4° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C16 | C14 | H18 | 107.2° | 109.5° |
| C14 | C16 | H22 | 109.5° | 109.5° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| C14 | C16 | H24 | 109.4° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H21 | 109.4° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.4° | 109.5° |
| H22 | C16 | H24 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.4° |
| O9 | C17 | C18 | 117.1° | 109.5° |
| C17 | O9 | H30 | 109.5° | 114.0° |
| O9 | C17 | H31 | 106.4° | 109.5° |
| O9 | C17 | C21 | 116.8° | 109.5° |
| C18 | N4 | H25 | 118.6° | 120.0° |
| N4 | C18 | C17 | 111.0° | 109.4° |
| N4 | C18 | C19 | 110.6° | 109.5° |
| N4 | C18 | H26 | 108.2° | 109.5° |
| C18 | N4 | C13 | 122.7° | 120.0° |
| H25 | N4 | C13 | 118.6° | 120.0° |
| C17 | C18 | C19 | 112.5° | 109.5° |
| C17 | C18 | H26 | 107.3° | 109.5° |
| C18 | C17 | H31 | 103.6° | 109.4° |
| C18 | C17 | C21 | 108.1° | 109.5° |
| C19 | C18 | H26 | 107.0° | 109.5° |
| C18 | C19 | H27 | 108.0° | 109.5° |
| C18 | C19 | H28 | 108.0° | 109.5° |
| C18 | C19 | C20 | 115.4° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | C20 | 108.0° | 109.5° |
| H28 | C19 | C20 | 108.0° | 109.5° |
| C19 | C20 | O11 | 116.6° | 120.0° |
| C19 | C20 | O10 | 121.6° | 120.0° |
| O11 | C20 | O10 | 121.8° | 119.9° |
| C20 | O11 | H29 | 109.5° | 117.0° |
| H31 | C17 | C21 | 103.1° | 109.5° |
| CL1 | C21 | H32 | 122.2° | 109.5° |
| CL1 | C21 | H33 | 122.3° | 109.5° |
| CL1 | C21 | C17 | 44.8° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H32 | C21 | C17 | 122.3° | 109.5° |
| H33 | C21 | C17 | 122.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 170.6° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 7.2° | 5.2° |
| O1 | C1 | N1 | H4 | 172.8° | 174.9° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 177.2° | 174.6° |
| C2 | C1 | N1 | H4 | 2.8° | 5.3° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | N1 | 170.6° | 89.8° |
| H2 | C2 | C1 | N1 | 50.6° | 30.2° |
| H3 | C2 | C1 | N1 | 69.4° | 150.2° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 123.5° | 120.0° |
| N1 | C3 | C4 | H5 | 119.8° | 120.0° |
| N1 | C3 | C5 | H5 | 119.0° | 120.0° |
| N1 | C3 | C4 | O2 | 42.9° | 0.0° |
| N1 | C3 | C5 | C6 | 64.3° | 65.8° |
| N1 | C3 | C5 | H6 | 56.2° | 54.3° |
| N1 | C3 | C5 | H7 | 175.3° | 174.2° |
| N1 | C3 | C4 | N2 | 136.4° | 180.0° |
| H4 | N1 | C3 | C4 | 93.9° | 93.5° |
| H4 | N1 | C3 | C5 | 28.2° | 26.6° |
| H4 | N1 | C3 | H5 | 146.8° | 146.6° |
| C4 | C3 | C5 | H5 | 116.8° | 120.0° |
| C3 | C4 | O2 | N2 | 179.3° | 180.0° |
| C4 | C3 | C5 | C6 | 171.5° | 174.2° |
| C4 | C3 | C5 | H6 | 68.0° | 65.7° |
| C4 | C3 | C5 | H7 | 51.1° | 54.2° |
| C3 | C4 | N2 | C7 | 179.6° | 180.0° |
| C3 | C4 | N2 | H9 | 0.4° | 0.0° |
| C4 | C3 | N1 | C1 | 86.1° | 86.5° |
| C5 | C3 | C4 | O2 | 80.6° | 120.0° |
| C3 | C5 | C6 | H6 | 120.4° | 120.0° |
| C3 | C5 | C6 | H7 | 120.5° | 120.0° |
| C3 | C5 | H6 | H7 | 118.6° | 119.9° |
| C3 | C5 | C6 | O3 | 28.6° | 5.9° |
| C3 | C5 | C6 | O4 | 152.1° | 174.1° |
| C5 | C3 | N1 | C1 | 151.8° | 153.5° |
| C5 | C3 | C4 | N2 | 100.1° | 60.0° |
| H5 | C3 | C4 | O2 | 162.7° | 120.0° |
| H5 | C3 | C5 | C6 | 54.8° | 54.2° |
| H5 | C3 | C5 | H6 | 175.2° | 174.2° |
| H5 | C3 | C5 | H7 | 65.7° | 65.9° |
| H5 | C3 | N1 | C1 | 33.2° | 33.5° |
| H5 | C3 | C4 | N2 | 16.7° | 60.0° |
| O2 | C4 | N2 | C7 | 1.0° | 0.1° |
| O2 | C4 | N2 | H9 | 179.0° | 180.0° |
| C6 | C5 | H6 | H7 | 118.6° | 120.0° |
| C5 | C6 | O3 | O4 | 179.3° | 180.0° |
| C5 | C6 | O4 | H8 | 179.3° | 180.0° |
| H6 | C5 | C6 | O3 | 149.0° | 125.9° |
| H6 | C5 | C6 | O4 | 31.7° | 54.1° |
| H7 | C5 | C6 | O3 | 91.9° | 114.1° |
| H7 | C5 | C6 | O4 | 87.4° | 65.9° |
| O3 | C6 | O4 | H8 | 0.0° | 0.0° |
| C7 | N2 | H9 | C4 | 180.0° | 179.9° |
| N2 | C7 | C8 | C9 | 120.5° | 120.0° |
| N2 | C7 | C8 | H10 | 119.5° | 120.0° |
| N2 | C7 | C9 | H10 | 121.0° | 120.0° |
| N2 | C7 | C8 | O5 | 21.5° | 0.0° |
| N2 | C7 | C9 | C10 | 60.8° | 65.0° |
| N2 | C7 | C9 | H11 | 59.6° | 55.0° |
| N2 | C7 | C9 | H12 | 178.7° | 175.0° |
| N2 | C7 | C8 | N3 | 157.1° | 180.0° |
| H9 | N2 | C7 | C8 | 41.2° | 25.0° |
| H9 | N2 | C7 | C9 | 79.6° | 95.0° |
| H9 | N2 | C7 | H10 | 160.1° | 145.0° |
| C8 | C7 | C9 | H10 | 120.1° | 120.0° |
| C7 | C8 | O5 | N3 | 178.6° | 180.0° |
| C8 | C7 | C9 | C10 | 179.8° | 175.0° |
| C8 | C7 | C9 | H11 | 59.3° | 65.0° |
| C8 | C7 | C9 | H12 | 59.8° | 55.0° |
| C7 | C8 | N3 | C12 | 176.6° | 180.0° |
| C7 | C8 | N3 | H16 | 3.4° | 0.0° |
| C8 | C7 | N2 | C4 | 138.8° | 155.0° |
| C9 | C7 | C8 | O5 | 98.9° | 120.0° |
| C7 | C9 | C10 | H11 | 120.4° | 120.0° |
| C7 | C9 | C10 | H12 | 120.4° | 120.0° |
| C7 | C9 | H11 | H12 | 118.7° | 120.0° |
| C7 | C9 | C10 | C11 | 173.9° | 180.0° |
| C7 | C9 | C10 | H13 | 65.4° | 60.0° |
| C7 | C9 | C10 | H14 | 53.2° | 60.0° |
| C9 | C7 | N2 | C4 | 100.4° | 85.0° |
| C9 | C7 | C8 | N3 | 82.4° | 60.0° |
| H10 | C7 | C8 | O5 | 141.1° | 120.0° |
| H10 | C7 | C9 | C10 | 60.1° | 55.0° |
| H10 | C7 | C9 | H11 | 179.4° | 175.0° |
| H10 | C7 | C9 | H12 | 60.3° | 65.0° |
| H10 | C7 | N2 | C4 | 19.9° | 34.9° |
| H10 | C7 | C8 | N3 | 37.6° | 60.0° |
| O5 | C8 | N3 | C12 | 4.8° | 0.0° |
| O5 | C8 | N3 | H16 | 175.2° | 180.0° |
| C10 | C9 | H11 | H12 | 118.7° | 120.0° |
| C9 | C10 | C11 | H13 | 120.7° | 120.0° |
| C9 | C10 | C11 | H14 | 120.7° | 120.0° |
| C9 | C10 | H13 | H14 | 117.8° | 120.0° |
| C9 | C10 | C11 | O6 | 3.9° | 0.0° |
| C9 | C10 | C11 | O7 | 176.0° | 180.0° |
| H11 | C9 | C10 | C11 | 53.5° | 60.0° |
| H11 | C9 | C10 | H13 | 174.2° | 180.0° |
| H11 | C9 | C10 | H14 | 67.2° | 60.1° |
| H12 | C9 | C10 | C11 | 65.7° | 60.0° |
| H12 | C9 | C10 | H13 | 55.0° | 60.1° |
| H12 | C9 | C10 | H14 | 173.6° | NaN° |
| C11 | C10 | H13 | H14 | 117.8° | 120.0° |
| C10 | C11 | O6 | O7 | 179.8° | 180.0° |
| C10 | C11 | O7 | H15 | 179.8° | 180.0° |
| H13 | C10 | C11 | O6 | 116.9° | 120.0° |
| H13 | C10 | C11 | O7 | 63.3° | 60.0° |
| H14 | C10 | C11 | O6 | 124.6° | 120.0° |
| H14 | C10 | C11 | O7 | 55.3° | 60.0° |
| O6 | C11 | O7 | H15 | 0.0° | 0.0° |
| C12 | N3 | H16 | C8 | 180.0° | 180.0° |
| N3 | C12 | C13 | C14 | 125.9° | 120.0° |
| N3 | C12 | C13 | H17 | 118.8° | 120.0° |
| N3 | C12 | C14 | H17 | 119.8° | 120.0° |
| N3 | C12 | C13 | O8 | 24.3° | 19.7° |
| N3 | C12 | C14 | C15 | 69.9° | 64.8° |
| N3 | C12 | C14 | C16 | 55.8° | 55.2° |
| N3 | C12 | C14 | H18 | 173.0° | 175.2° |
| N3 | C12 | C13 | N4 | 155.9° | 160.3° |
| H16 | N3 | C12 | C13 | 80.0° | 25.0° |
| H16 | N3 | C12 | C14 | 42.5° | 95.0° |
| H16 | N3 | C12 | H17 | 161.6° | 145.0° |
| C13 | C12 | C14 | H17 | 115.7° | 120.0° |
| C12 | C13 | O8 | N4 | 179.8° | 180.0° |
| C13 | C12 | C14 | C15 | 165.6° | 175.2° |
| C13 | C12 | C14 | C16 | 68.7° | 64.8° |
| C13 | C12 | C14 | H18 | 48.5° | 55.2° |
| C12 | C13 | N4 | C18 | 172.9° | 175.0° |
| C12 | C13 | N4 | H25 | 7.1° | 5.1° |
| C13 | C12 | N3 | C8 | 100.0° | 155.0° |
| C14 | C12 | C13 | O8 | 101.6° | 100.3° |
| C12 | C14 | C15 | C16 | 125.7° | 120.0° |
| C12 | C14 | C15 | H18 | 116.7° | 120.0° |
| C12 | C14 | C16 | H18 | 117.1° | 120.0° |
| C12 | C14 | C15 | H19 | 180.0° | 67.8° |
| C12 | C14 | C15 | H20 | 60.0° | 172.2° |
| C12 | C14 | C15 | H21 | 60.0° | 52.3° |
| C12 | C14 | C16 | H22 | 180.0° | 66.0° |
| C12 | C14 | C16 | H23 | 60.0° | 173.9° |
| C12 | C14 | C16 | H24 | 60.0° | 54.0° |
| C14 | C12 | N3 | C8 | 137.6° | 85.0° |
| C14 | C12 | C13 | N4 | 78.2° | 79.7° |
| H17 | C12 | C13 | O8 | 143.1° | 139.7° |
| H17 | C12 | C14 | C15 | 49.9° | 55.2° |
| H17 | C12 | C14 | C16 | 175.6° | 175.2° |
| H17 | C12 | C14 | H18 | 67.2° | 64.8° |
| H17 | C12 | N3 | C8 | 18.4° | 35.0° |
| H17 | C12 | C13 | N4 | 37.1° | 40.2° |
| O8 | C13 | N4 | C18 | 6.9° | 5.0° |
| O8 | C13 | N4 | H25 | 173.1° | 175.0° |
| C15 | C14 | C16 | H18 | 117.8° | 120.0° |
| C14 | C15 | H19 | H20 | 120.0° | 120.0° |
| C14 | C15 | H19 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C15 | C14 | C16 | H22 | 55.0° | 174.0° |
| C15 | C14 | C16 | H23 | 65.0° | 53.9° |
| C15 | C14 | C16 | H24 | 174.9° | 66.0° |
| C16 | C14 | C15 | H19 | 54.3° | 52.2° |
| C16 | C14 | C15 | H20 | 174.3° | 67.8° |
| C16 | C14 | C15 | H21 | 65.7° | 172.3° |
| C14 | C16 | H22 | H23 | 120.0° | 120.1° |
| C14 | C16 | H22 | H24 | 120.0° | 120.0° |
| C14 | C16 | H23 | H24 | 120.0° | 120.0° |
| H18 | C14 | C15 | H19 | 63.3° | 172.2° |
| H18 | C14 | C15 | H20 | 56.8° | 52.2° |
| H18 | C14 | C15 | H21 | 176.8° | 67.8° |
| H18 | C14 | C16 | H22 | 62.9° | 54.0° |
| H18 | C14 | C16 | H23 | 177.1° | 66.0° |
| H18 | C14 | C16 | H24 | 57.1° | 174.0° |
| H19 | C15 | H20 | H21 | 120.0° | 120.0° |
| H22 | C16 | H23 | H24 | 120.0° | 120.0° |
| O9 | C17 | C18 | N4 | 155.0° | 176.7° |
| O9 | C17 | C18 | H31 | 116.8° | 120.0° |
| O9 | C17 | C18 | C21 | 134.4° | 120.0° |
| O9 | C17 | C18 | C19 | 30.4° | 56.7° |
| O9 | C17 | C18 | H26 | 87.0° | 63.3° |
| O9 | C17 | H31 | C21 | 123.4° | 120.0° |
| O9 | C17 | C21 | CL1 | 71.3° | 66.4° |
| O9 | C17 | C21 | H32 | 33.7° | 173.6° |
| O9 | C17 | C21 | H33 | 176.4° | 53.6° |
| C18 | N4 | H25 | C13 | 180.0° | 180.0° |
| N4 | C18 | C17 | C19 | 124.5° | 120.0° |
| N4 | C18 | C17 | H26 | 118.0° | 120.0° |
| N4 | C18 | C19 | H26 | 117.7° | 120.0° |
| N4 | C18 | C19 | H27 | 45.4° | 55.0° |
| N4 | C18 | C19 | H28 | 163.6° | 175.0° |
| N4 | C18 | C19 | C20 | 75.5° | 65.0° |
| N4 | C18 | C17 | H31 | 38.2° | 56.7° |
| N4 | C18 | C17 | C21 | 70.7° | 63.3° |
| H25 | N4 | C18 | C17 | 77.1° | 75.6° |
| H25 | N4 | C18 | C19 | 48.5° | 44.4° |
| H25 | N4 | C18 | H26 | 165.5° | 164.4° |
| C17 | C18 | C19 | H26 | 117.6° | 120.0° |
| C17 | C18 | C19 | H27 | 79.4° | 65.0° |
| C17 | C18 | C19 | H28 | 38.9° | 55.0° |
| C17 | C18 | C19 | C20 | 159.8° | 175.0° |
| C18 | C17 | O9 | H30 | 180.0° | 60.0° |
| C18 | C17 | H31 | C21 | 112.6° | 120.0° |
| C18 | C17 | C21 | CL1 | 154.1° | 173.6° |
| C18 | C17 | C21 | H32 | 100.8° | 53.6° |
| C18 | C17 | C21 | H33 | 49.0° | 66.3° |
| C17 | C18 | N4 | C13 | 102.9° | 104.4° |
| C18 | C19 | H27 | H28 | 117.3° | 120.0° |
| C18 | C19 | H27 | C20 | 125.4° | 120.0° |
| C18 | C19 | H28 | C20 | 125.4° | 120.0° |
| C18 | C19 | C20 | O11 | 28.6° | 180.0° |
| C18 | C19 | C20 | O10 | 150.4° | 0.0° |
| C19 | C18 | C17 | H31 | 86.3° | 63.3° |
| C19 | C18 | N4 | C13 | 131.5° | 135.6° |
| C19 | C18 | C17 | C21 | 164.8° | 176.7° |
| H26 | C18 | C19 | H27 | 163.1° | 175.0° |
| H26 | C18 | C19 | H28 | 78.7° | 65.0° |
| H26 | C18 | C19 | C20 | 42.2° | 55.0° |
| H26 | C18 | C17 | H31 | 156.2° | 176.7° |
| H26 | C18 | N4 | C13 | 14.5° | 15.6° |
| H26 | C18 | C17 | C21 | 47.3° | 56.7° |
| H27 | C19 | H28 | C20 | 117.3° | 120.0° |
| H27 | C19 | C20 | O11 | 149.4° | 60.0° |
| H27 | C19 | C20 | O10 | 29.6° | 120.0° |
| H28 | C19 | C20 | O11 | 92.3° | 60.0° |
| H28 | C19 | C20 | O10 | 88.7° | 120.0° |
| C19 | C20 | O11 | O10 | 179.0° | 180.0° |
| C19 | C20 | O11 | H29 | 179.1° | 180.0° |
| O10 | C20 | O11 | H29 | 0.0° | 0.0° |
| H30 | O9 | C17 | H31 | 64.8° | 180.0° |
| H30 | O9 | C17 | C21 | 49.6° | 60.0° |
| H31 | C17 | C21 | CL1 | 44.9° | 53.7° |
| H31 | C17 | C21 | H32 | 150.0° | 66.4° |
| H31 | C17 | C21 | H33 | 60.2° | 173.7° |
| CL1 | C21 | H32 | H33 | 153.2° | 120.0° |
| CL1 | C21 | H32 | C17 | 53.6° | 120.0° |
| CL1 | C21 | H33 | C17 | 53.6° | 120.0° |
| H32 | C21 | H33 | C17 | 153.2° | 120.0° |
