PRD_000977
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| 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 | 1.47Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.54Å | 1.53Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.55Å | 1.49Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.55Å | 1.50Å | |
| 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 | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | O4 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | O5 | doub | 1.21Å | 1.23Å | |
| C14 | O6 | sing | 1.43Å | 1.42Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| O6 | H22 | sing | 0.97Å | 0.95Å | |
| C15 | O7 | sing | 1.43Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N4 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| O8 | C19 | sing | 1.36Å | 1.38Å | |
| C19 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| O8 | H27 | sing | 0.97Å | 0.95Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | CL1 | sing | 1.80Å | 37.09Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| C13 | N4 | sing | 1.35Å | 1.33Å | |
| C15 | C24 | sing | 1.53Å | 1.25Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.1° | 120.0° |
| O1 | C1 | N1 | 130.1° | 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 | 110.6° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C3 | N1 | C7 | 112.1° | 108.7° |
| N1 | C3 | C4 | 111.8° | 109.9° |
| N1 | C3 | C5 | 103.0° | 107.3° |
| N1 | C3 | H4 | 111.1° | 109.9° |
| C3 | N1 | C1 | 134.4° | 125.6° |
| N1 | C7 | C6 | 103.2° | 104.7° |
| N1 | C7 | H9 | 111.0° | 110.4° |
| N1 | C7 | H10 | 111.0° | 110.4° |
| C7 | N1 | C1 | 112.9° | 125.7° |
| C4 | C3 | C5 | 110.1° | 109.9° |
| C4 | C3 | H4 | 110.3° | 109.8° |
| C3 | C4 | O2 | 120.0° | 120.0° |
| C3 | C4 | N2 | 116.7° | 120.0° |
| C5 | C3 | H4 | 110.3° | 110.1° |
| C3 | C5 | C6 | 104.4° | 103.0° |
| C3 | C5 | H5 | 110.7° | 110.7° |
| C3 | C5 | H6 | 110.7° | 110.7° |
| O2 | C4 | N2 | 123.3° | 120.0° |
| C6 | C5 | H5 | 110.7° | 110.7° |
| C6 | C5 | H6 | 110.7° | 110.8° |
| C5 | C6 | C7 | 105.9° | 101.5° |
| C5 | C6 | H7 | 110.4° | 111.0° |
| C5 | C6 | H8 | 110.3° | 111.0° |
| H5 | C5 | H6 | 109.5° | 110.7° |
| C7 | C6 | H7 | 110.3° | 111.2° |
| C7 | C6 | H8 | 110.3° | 110.9° |
| C6 | C7 | H9 | 111.0° | 110.5° |
| C6 | C7 | H10 | 111.0° | 110.3° |
| H7 | C6 | H8 | 109.5° | 110.9° |
| H9 | C7 | H10 | 109.5° | 110.4° |
| C8 | N2 | H11 | 119.2° | 120.0° |
| N2 | C8 | C9 | 111.2° | 109.5° |
| N2 | C8 | C10 | 111.5° | 109.5° |
| N2 | C8 | H12 | 108.9° | 109.5° |
| C8 | N2 | C4 | 121.7° | 120.0° |
| H11 | N2 | C4 | 119.1° | 119.9° |
| C9 | C8 | C10 | 109.1° | 109.5° |
| C9 | C8 | H12 | 108.1° | 109.4° |
| C8 | C9 | O3 | 120.8° | 120.0° |
| C8 | C9 | N3 | 116.2° | 120.0° |
| C10 | C8 | H12 | 107.9° | 109.5° |
| C8 | C10 | O4 | 109.6° | 109.5° |
| C8 | C10 | C11 | 110.5° | 109.5° |
| C8 | C10 | H13 | 108.6° | 109.5° |
| O3 | C9 | N3 | 123.0° | 120.0° |
| O4 | C10 | C11 | 109.3° | 109.5° |
| O4 | C10 | H13 | 110.0° | 109.4° |
| C10 | O4 | H14 | 109.5° | 113.9° |
| C11 | C10 | H13 | 108.9° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.4° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| C12 | N3 | H18 | 119.2° | 120.1° |
| N3 | C12 | C13 | 111.2° | 109.4° |
| N3 | C12 | C14 | 110.5° | 109.5° |
| N3 | C12 | H19 | 108.9° | 109.5° |
| C12 | N3 | C9 | 121.7° | 120.0° |
| H18 | N3 | C9 | 119.1° | 120.0° |
| C13 | C12 | C14 | 110.1° | 109.5° |
| C13 | C12 | H19 | 108.1° | 109.5° |
| C12 | C13 | O5 | 120.8° | 120.0° |
| C12 | C13 | N4 | 116.2° | 120.0° |
| C14 | C12 | H19 | 108.0° | 109.5° |
| C12 | C14 | O6 | 111.1° | 109.4° |
| C12 | C14 | H20 | 109.1° | 109.5° |
| C12 | C14 | H21 | 109.1° | 109.5° |
| O5 | C13 | N4 | 123.0° | 120.0° |
| O6 | C14 | H20 | 109.0° | 109.5° |
| O6 | C14 | H21 | 109.1° | 109.5° |
| C14 | O6 | H22 | 109.5° | 114.0° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| O7 | C15 | C16 | 120.8° | 109.4° |
| C15 | O7 | H32 | 109.5° | 114.0° |
| O7 | C15 | H33 | 103.7° | 109.5° |
| O7 | C15 | C24 | 103.3° | 109.5° |
| C15 | C16 | N4 | 111.2° | 109.5° |
| C15 | C16 | C17 | 110.1° | 109.5° |
| C15 | C16 | H24 | 108.0° | 109.5° |
| C16 | C15 | H33 | 101.1° | 109.5° |
| C16 | C15 | C24 | 121.6° | 109.5° |
| N4 | C16 | C17 | 110.5° | 109.5° |
| C16 | N4 | H23 | 119.2° | 120.0° |
| N4 | C16 | H24 | 108.9° | 109.5° |
| C16 | N4 | C13 | 121.7° | 120.0° |
| C16 | C17 | C18 | 113.9° | 109.5° |
| C17 | C16 | H24 | 108.0° | 109.4° |
| C16 | C17 | H25 | 108.3° | 109.4° |
| C16 | C17 | H26 | 108.3° | 109.5° |
| C17 | C18 | C20 | 120.9° | 119.9° |
| C17 | C18 | C21 | 121.0° | 119.9° |
| C18 | C17 | H25 | 108.4° | 109.5° |
| C18 | C17 | H26 | 108.4° | 109.5° |
| C20 | C18 | C21 | 118.1° | 120.1° |
| C18 | C20 | C22 | 121.1° | 120.0° |
| C18 | C20 | H28 | 119.4° | 120.0° |
| C18 | C21 | C23 | 121.2° | 120.1° |
| C18 | C21 | H29 | 119.4° | 119.9° |
| O8 | C19 | C22 | 119.9° | 120.1° |
| O8 | C19 | C23 | 119.8° | 120.1° |
| C19 | O8 | H27 | 109.5° | 114.0° |
| C22 | C19 | C23 | 120.3° | 119.9° |
| C19 | C22 | C20 | 119.7° | 120.0° |
| C19 | C22 | H30 | 120.2° | 120.0° |
| C19 | C23 | C21 | 119.6° | 119.9° |
| C19 | C23 | H31 | 120.2° | 120.0° |
| C22 | C20 | H28 | 119.4° | 120.0° |
| C20 | C22 | H30 | 120.2° | 120.0° |
| C23 | C21 | H29 | 119.4° | 120.0° |
| C21 | C23 | H31 | 120.2° | 120.1° |
| H23 | N4 | C13 | 119.1° | 120.0° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H33 | C15 | C24 | 103.5° | 109.5° |
| CL1 | C24 | H34 | 110.3° | 109.5° |
| CL1 | C24 | H35 | 110.3° | 109.5° |
| CL1 | C24 | C15 | 106.0° | 109.5° |
| H34 | C24 | H35 | 109.4° | 109.5° |
| H34 | C24 | C15 | 110.3° | 109.4° |
| H35 | C24 | C15 | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 168.5° | 179.8° |
| 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 | 17.0° | 0.1° |
| O1 | C1 | N1 | C7 | 172.4° | 179.7° |
| 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 | 176.3° | 179.7° |
| C2 | C1 | N1 | C7 | 5.7° | 0.5° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 168.5° | 179.8° |
| H2 | C2 | C1 | N1 | 48.5° | 59.7° |
| H3 | C2 | C1 | N1 | 71.5° | 60.2° |
| C3 | N1 | C7 | C1 | 172.7° | 179.8° |
| N1 | C3 | C4 | C5 | 113.9° | 117.8° |
| N1 | C3 | C4 | H4 | 124.2° | 121.0° |
| N1 | C3 | C5 | H4 | 118.7° | 119.5° |
| N1 | C3 | C4 | O2 | 81.7° | 18.6° |
| N1 | C3 | C5 | C6 | 27.7° | 22.2° |
| N1 | C3 | C5 | H5 | 91.5° | 140.6° |
| N1 | C3 | C5 | H6 | 146.9° | 96.2° |
| C3 | N1 | C7 | C6 | 9.3° | 24.4° |
| C3 | N1 | C7 | H9 | 128.3° | 94.5° |
| C3 | N1 | C7 | H10 | 109.7° | 143.2° |
| N1 | C3 | C4 | N2 | 98.3° | 161.4° |
| C7 | N1 | C3 | C4 | 129.5° | 120.7° |
| C7 | N1 | C3 | C5 | 11.3° | 1.3° |
| C7 | N1 | C3 | H4 | 106.7° | 118.3° |
| N1 | C7 | C6 | C5 | 27.0° | 37.3° |
| N1 | C7 | C6 | H9 | 119.0° | 118.8° |
| N1 | C7 | C6 | H10 | 119.0° | 118.7° |
| N1 | C7 | C6 | H7 | 146.5° | 80.9° |
| N1 | C7 | C6 | H8 | 92.4° | 155.3° |
| N1 | C7 | H9 | H10 | 122.9° | 122.3° |
| C4 | C3 | C5 | H4 | 122.0° | 121.1° |
| C3 | C4 | O2 | N2 | 180.0° | 180.0° |
| C4 | C3 | C5 | C6 | 147.1° | 97.2° |
| C4 | C3 | C5 | H5 | 27.9° | 21.2° |
| C4 | C3 | C5 | H6 | 93.7° | 144.4° |
| C3 | C4 | N2 | C8 | 180.0° | 180.0° |
| C3 | C4 | N2 | H11 | 0.1° | 0.0° |
| C4 | C3 | N1 | C1 | 59.9° | 59.5° |
| C5 | C3 | C4 | O2 | 32.2° | 99.2° |
| C3 | C5 | C6 | H5 | 119.2° | 118.4° |
| C3 | C5 | C6 | H6 | 119.2° | 118.4° |
| C3 | C5 | H5 | H6 | 122.3° | 123.2° |
| C3 | C5 | C6 | C7 | 34.5° | 35.7° |
| C3 | C5 | C6 | H7 | 154.0° | 82.6° |
| C3 | C5 | C6 | H8 | 84.9° | 153.6° |
| C5 | C3 | N1 | C1 | 178.0° | 178.9° |
| C5 | C3 | C4 | N2 | 147.8° | 80.8° |
| H4 | C3 | C4 | O2 | 154.1° | 139.5° |
| H4 | C3 | C5 | C6 | 90.9° | 141.7° |
| H4 | C3 | C5 | H5 | 149.9° | 99.9° |
| H4 | C3 | C5 | H6 | 28.3° | 23.3° |
| H4 | C3 | N1 | C1 | 63.9° | 61.5° |
| H4 | C3 | C4 | N2 | 25.9° | 40.4° |
| O2 | C4 | N2 | C8 | 0.0° | 0.0° |
| O2 | C4 | N2 | H11 | 179.9° | 180.0° |
| C6 | C5 | H5 | H6 | 122.4° | 123.2° |
| C5 | C6 | C7 | H7 | 119.5° | 118.1° |
| C5 | C6 | C7 | H8 | 119.4° | 118.0° |
| C5 | C6 | H7 | H8 | 121.7° | 124.0° |
| C5 | C6 | C7 | H9 | 146.0° | 81.6° |
| C5 | C6 | C7 | H10 | 92.0° | 156.0° |
| H5 | C5 | C6 | C7 | 84.6° | 154.1° |
| H5 | C5 | C6 | H7 | 34.8° | 35.8° |
| H5 | C5 | C6 | H8 | 155.9° | 88.0° |
| H6 | C5 | C6 | C7 | 153.7° | 82.7° |
| H6 | C5 | C6 | H7 | 86.8° | 159.0° |
| H6 | C5 | C6 | H8 | 34.3° | 35.2° |
| C7 | C6 | H7 | H8 | 121.6° | 123.8° |
| C6 | C7 | H9 | H10 | 122.9° | 122.3° |
| C6 | C7 | N1 | C1 | 163.4° | 155.8° |
| H7 | C6 | C7 | H9 | 94.5° | 160.3° |
| H7 | C6 | C7 | H10 | 27.5° | 37.9° |
| H8 | C6 | C7 | H9 | 26.6° | 36.5° |
| H8 | C6 | C7 | H10 | 148.6° | 85.9° |
| H9 | C7 | N1 | C1 | 44.4° | 85.3° |
| H10 | C7 | N1 | C1 | 77.6° | 37.1° |
| C8 | N2 | H11 | C4 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 123.4° | 120.0° |
| N2 | C8 | C9 | H12 | 119.5° | 120.0° |
| N2 | C8 | C10 | H12 | 119.6° | 120.0° |
| N2 | C8 | C9 | O3 | 89.1° | 0.0° |
| N2 | C8 | C10 | O4 | 67.7° | 65.0° |
| N2 | C8 | C10 | C11 | 171.8° | 55.0° |
| N2 | C8 | C10 | H13 | 52.5° | 175.0° |
| N2 | C8 | C9 | N3 | 90.8° | 180.0° |
| H11 | N2 | C8 | C9 | 85.0° | 25.0° |
| H11 | N2 | C8 | C10 | 37.0° | 95.0° |
| H11 | N2 | C8 | H12 | 156.0° | 145.0° |
| C9 | C8 | C10 | H12 | 117.2° | 120.0° |
| C8 | C9 | O3 | N3 | 179.9° | 179.9° |
| C9 | C8 | C10 | O4 | 169.1° | 55.0° |
| C9 | C8 | C10 | C11 | 48.6° | 175.0° |
| C9 | C8 | C10 | H13 | 70.8° | 65.0° |
| C8 | C9 | N3 | C12 | 180.0° | 180.0° |
| C8 | C9 | N3 | H18 | 0.1° | 0.1° |
| C9 | C8 | N2 | C4 | 95.1° | 155.0° |
| C10 | C8 | C9 | O3 | 34.3° | 120.0° |
| C8 | C10 | O4 | C11 | 121.2° | 120.0° |
| C8 | C10 | O4 | H13 | 119.3° | 120.0° |
| C8 | C10 | C11 | H13 | 119.2° | 120.0° |
| C8 | C10 | O4 | H14 | 180.0° | 60.0° |
| C8 | C10 | C11 | H15 | 180.0° | 60.0° |
| C8 | C10 | C11 | H16 | 60.0° | 180.0° |
| C8 | C10 | C11 | H17 | 60.0° | 60.0° |
| C10 | C8 | N2 | C4 | 142.9° | 85.0° |
| C10 | C8 | C9 | N3 | 145.8° | 60.0° |
| H12 | C8 | C9 | O3 | 151.3° | 120.0° |
| H12 | C8 | C10 | O4 | 51.9° | 174.9° |
| H12 | C8 | C10 | C11 | 68.6° | 65.0° |
| H12 | C8 | C10 | H13 | 172.0° | 55.0° |
| H12 | C8 | N2 | C4 | 24.0° | 35.0° |
| H12 | C8 | C9 | N3 | 28.7° | 60.0° |
| O3 | C9 | N3 | C12 | 0.0° | 0.1° |
| O3 | C9 | N3 | H18 | 180.0° | 180.0° |
| O4 | C10 | C11 | H13 | 120.2° | 120.0° |
| O4 | C10 | C11 | H15 | 59.3° | 60.0° |
| O4 | C10 | C11 | H16 | 179.3° | 59.9° |
| O4 | C10 | C11 | H17 | 60.7° | 180.0° |
| C11 | C10 | O4 | H14 | 58.8° | 60.0° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H17 | 120.0° | 120.0° |
| C10 | C11 | H16 | H17 | 120.0° | 120.0° |
| H13 | C10 | O4 | H14 | 60.7° | 180.0° |
| H13 | C10 | C11 | H15 | 60.9° | 180.0° |
| H13 | C10 | C11 | H16 | 59.2° | 60.0° |
| H13 | C10 | C11 | H17 | 179.2° | 60.0° |
| H15 | C11 | H16 | H17 | 119.9° | 120.0° |
| C12 | N3 | H18 | C9 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 122.8° | 120.0° |
| N3 | C12 | C13 | H19 | 119.5° | 120.0° |
| N3 | C12 | C14 | H19 | 119.0° | 120.0° |
| N3 | C12 | C13 | O5 | 40.1° | 0.0° |
| N3 | C12 | C14 | O6 | 109.6° | 65.0° |
| N3 | C12 | C14 | H20 | 130.2° | 175.0° |
| N3 | C12 | C14 | H21 | 10.6° | 55.0° |
| N3 | C12 | C13 | N4 | 139.9° | 180.0° |
| H18 | N3 | C12 | C13 | 142.2° | 25.0° |
| H18 | N3 | C12 | C14 | 19.6° | 95.0° |
| H18 | N3 | C12 | H19 | 98.8° | 145.0° |
| C13 | C12 | C14 | H19 | 117.7° | 120.0° |
| C12 | C13 | O5 | N4 | 180.0° | 179.9° |
| C13 | C12 | C14 | O6 | 13.6° | 55.0° |
| C13 | C12 | C14 | H20 | 106.6° | 65.0° |
| C13 | C12 | C14 | H21 | 133.9° | 175.0° |
| C12 | C13 | N4 | C16 | 180.0° | 180.0° |
| C12 | C13 | N4 | H23 | 0.0° | 0.1° |
| C13 | C12 | N3 | C9 | 37.8° | 155.1° |
| C14 | C12 | C13 | O5 | 82.7° | 120.0° |
| C12 | C14 | O6 | H20 | 120.3° | 120.0° |
| C12 | C14 | O6 | H21 | 120.3° | 120.0° |
| C12 | C14 | H20 | H21 | 119.3° | 120.0° |
| C12 | C14 | O6 | H22 | 10.7° | 180.0° |
| C14 | C12 | N3 | C9 | 160.4° | 85.0° |
| C14 | C12 | C13 | N4 | 97.3° | 60.0° |
| H19 | C12 | C13 | O5 | 159.6° | 119.9° |
| H19 | C12 | C14 | O6 | 131.4° | 175.0° |
| H19 | C12 | C14 | H20 | 11.1° | 55.0° |
| H19 | C12 | C14 | H21 | 108.4° | 65.0° |
| H19 | C12 | N3 | C9 | 81.2° | 35.1° |
| H19 | C12 | C13 | N4 | 20.4° | 60.0° |
| O5 | C13 | N4 | C16 | 0.0° | 0.1° |
| O5 | C13 | N4 | H23 | 179.9° | 180.0° |
| O6 | C14 | H20 | H21 | 119.2° | 120.0° |
| H20 | C14 | O6 | H22 | 131.0° | 60.0° |
| H21 | C14 | O6 | H22 | 109.6° | 60.0° |
| O7 | C15 | C16 | H33 | 113.5° | 120.0° |
| O7 | C15 | C16 | C24 | 132.9° | 120.0° |
| O7 | C15 | C16 | N4 | 170.1° | 180.0° |
| O7 | C15 | C16 | C17 | 67.0° | 60.0° |
| O7 | C15 | C16 | H24 | 50.7° | 60.0° |
| O7 | C15 | H33 | C24 | 107.6° | 120.0° |
| O7 | C15 | C24 | CL1 | 86.7° | 65.0° |
| O7 | C15 | C24 | H34 | 32.8° | 175.0° |
| O7 | C15 | C24 | H35 | 153.8° | 55.0° |
| C15 | C16 | N4 | C17 | 122.6° | 120.0° |
| C15 | C16 | N4 | H24 | 118.9° | 120.1° |
| C15 | C16 | C17 | H24 | 117.7° | 120.0° |
| C15 | C16 | C17 | C18 | 162.5° | 175.0° |
| C15 | C16 | N4 | H23 | 59.6° | 95.0° |
| C15 | C16 | C17 | H25 | 76.8° | 65.0° |
| C15 | C16 | C17 | H26 | 41.8° | 55.0° |
| C16 | C15 | O7 | H32 | 180.0° | 60.0° |
| C16 | C15 | H33 | C24 | 126.6° | 120.0° |
| C16 | C15 | C24 | CL1 | 133.6° | 175.0° |
| C16 | C15 | C24 | H34 | 107.0° | 55.0° |
| C16 | C15 | C24 | H35 | 14.1° | 65.0° |
| C15 | C16 | N4 | C13 | 120.4° | 85.0° |
| N4 | C16 | C17 | H24 | 119.0° | 120.0° |
| N4 | C16 | C17 | C18 | 74.3° | 65.0° |
| C16 | N4 | H23 | C13 | 180.0° | 179.9° |
| N4 | C16 | C17 | H25 | 46.4° | 55.0° |
| N4 | C16 | C17 | H26 | 165.1° | 175.0° |
| N4 | C16 | C15 | H33 | 76.4° | 60.0° |
| N4 | C16 | C15 | C24 | 37.2° | 60.1° |
| C16 | C17 | C18 | H25 | 120.7° | 120.0° |
| C16 | C17 | C18 | H26 | 120.7° | 120.0° |
| C16 | C17 | C18 | C20 | 4.0° | 90.0° |
| C16 | C17 | C18 | C21 | 176.0° | 90.3° |
| C17 | C16 | N4 | H23 | 63.0° | 25.0° |
| C16 | C17 | H25 | H26 | 118.0° | 120.0° |
| C17 | C16 | C15 | H33 | 46.4° | 60.0° |
| C17 | C16 | N4 | C13 | 117.0° | 155.0° |
| C17 | C16 | C15 | C24 | 160.0° | 180.0° |
| C17 | C18 | C20 | C21 | 180.0° | 179.8° |
| C17 | C18 | C20 | C22 | 180.0° | 180.0° |
| C17 | C18 | C21 | C23 | 180.0° | 180.0° |
| C18 | C17 | C16 | H24 | 44.8° | 55.0° |
| C18 | C17 | H25 | H26 | 118.0° | 120.0° |
| C17 | C18 | C20 | H28 | 0.1° | 0.0° |
| C17 | C18 | C21 | H29 | 0.0° | 0.0° |
| C18 | C20 | C22 | C19 | 0.0° | 0.0° |
| C18 | C20 | C22 | H28 | 180.0° | 180.0° |
| C20 | C18 | C21 | C23 | 0.1° | 0.2° |
| C20 | C18 | C17 | H25 | 124.6° | 30.0° |
| C20 | C18 | C17 | H26 | 116.7° | 150.0° |
| C20 | C18 | C21 | H29 | 179.9° | 179.7° |
| C18 | C20 | C22 | H30 | 180.0° | 179.8° |
| C18 | C21 | C23 | C19 | 0.0° | 0.0° |
| C21 | C18 | C20 | C22 | 0.1° | 0.2° |
| C18 | C21 | C23 | H29 | 180.0° | 180.0° |
| C21 | C18 | C17 | H25 | 55.3° | 149.8° |
| C21 | C18 | C17 | H26 | 63.4° | 29.8° |
| C21 | C18 | C20 | H28 | 179.9° | 179.8° |
| C18 | C21 | C23 | H31 | 179.9° | 179.8° |
| O8 | C19 | C22 | C23 | 180.0° | 179.9° |
| O8 | C19 | C22 | C20 | 180.0° | 179.9° |
| O8 | C19 | C23 | C21 | 179.9° | 179.9° |
| O8 | C19 | C22 | H30 | 0.1° | 0.2° |
| O8 | C19 | C23 | H31 | 0.1° | 0.1° |
| C19 | C22 | C20 | H30 | 180.0° | 179.7° |
| C22 | C19 | C23 | C21 | 0.0° | 0.2° |
| C22 | C19 | O8 | H27 | 180.0° | 90.0° |
| C19 | C22 | C20 | H28 | 179.9° | 180.0° |
| C22 | C19 | C23 | H31 | 180.0° | 180.0° |
| C23 | C19 | C22 | C20 | 0.0° | 0.2° |
| C19 | C23 | C21 | H31 | 180.0° | 179.8° |
| C23 | C19 | O8 | H27 | 0.0° | 89.8° |
| C19 | C23 | C21 | H29 | 180.0° | 180.0° |
| C23 | C19 | C22 | H30 | 180.0° | 180.0° |
| H23 | N4 | C16 | H24 | 178.5° | 145.0° |
| H24 | C16 | C17 | H25 | 165.4° | 175.0° |
| H24 | C16 | C17 | H26 | 75.9° | 65.0° |
| H24 | C16 | C15 | H33 | 164.1° | 180.0° |
| H24 | C16 | N4 | C13 | 1.5° | 35.1° |
| H24 | C16 | C15 | C24 | 82.3° | 60.0° |
| H28 | C20 | C22 | H30 | 0.1° | 0.2° |
| H29 | C21 | C23 | H31 | 0.1° | 0.2° |
| H32 | O7 | C15 | H33 | 67.9° | 179.9° |
| H32 | O7 | C15 | C24 | 39.9° | 59.9° |
| H33 | C15 | C24 | CL1 | 21.2° | 55.0° |
| H33 | C15 | C24 | H34 | 140.7° | 65.0° |
| H33 | C15 | C24 | H35 | 98.3° | 175.0° |
| CL1 | C24 | H34 | H35 | 121.6° | 120.0° |
| CL1 | C24 | H34 | C15 | 116.8° | 120.0° |
| CL1 | C24 | H35 | C15 | 116.8° | 120.0° |
| H34 | C24 | H35 | C15 | 121.6° | 120.0° |
