PRD_000236
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| 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 | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| 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 | 1.45Å | |
| N2 | C10 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C8 | sing | 1.54Å | 1.49Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | O4 | sing | 1.43Å | 1.39Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.46Å | 1.46Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | F1 | sing | 1.40Å | 1.28Å | |
| C16 | F2 | sing | 1.40Å | 1.27Å | |
| C16 | C17 | sing | 1.51Å | 1.46Å | |
| C17 | O5 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C24 | sing | 1.51Å | 1.53Å | |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | N4 | sing | 1.47Å | 1.45Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| N4 | H36 | sing | 1.01Å | 1.00Å | |
| N4 | H37 | sing | 1.01Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C7 | N3 | sing | 1.35Å | 1.32Å | |
| C11 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | N4 | sing | 1.40Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.9° | 120.0° |
| O1 | C1 | N1 | 124.1° | 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 | 112.9° | 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 | 119.2° | 120.1° |
| N1 | C3 | C4 | 108.3° | 109.5° |
| N1 | C3 | C5 | 106.7° | 109.5° |
| N1 | C3 | H5 | 111.1° | 109.5° |
| C3 | N1 | C1 | 121.7° | 120.0° |
| H4 | N1 | C1 | 119.1° | 120.0° |
| C4 | C3 | C5 | 110.8° | 109.4° |
| C4 | C3 | H5 | 109.8° | 109.5° |
| C3 | C4 | O2 | 121.2° | 120.0° |
| C3 | C4 | N2 | 116.5° | 120.0° |
| C5 | C3 | H5 | 110.2° | 109.5° |
| C3 | C5 | H6 | 109.5° | 109.5° |
| C3 | C5 | H7 | 109.5° | 109.4° |
| C3 | C5 | H8 | 109.4° | 109.4° |
| O2 | C4 | N2 | 121.9° | 120.0° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| C6 | N2 | C10 | 111.4° | 108.7° |
| N2 | C6 | C7 | 106.8° | 109.9° |
| N2 | C6 | C8 | 108.0° | 107.3° |
| N2 | C6 | H9 | 112.0° | 109.9° |
| C6 | N2 | C4 | 122.7° | 125.7° |
| N2 | C10 | C9 | 107.2° | 104.7° |
| N2 | C10 | H14 | 110.0° | 110.4° |
| N2 | C10 | H15 | 110.0° | 110.4° |
| C10 | N2 | C4 | 122.9° | 125.6° |
| C7 | C6 | C8 | 106.9° | 109.8° |
| C7 | C6 | H9 | 111.3° | 109.9° |
| C6 | C7 | O3 | 120.0° | 120.0° |
| C6 | C7 | N3 | 115.7° | 120.0° |
| C8 | C6 | H9 | 111.5° | 110.0° |
| C6 | C8 | C9 | 107.4° | 102.9° |
| C6 | C8 | H10 | 110.0° | 110.8° |
| C6 | C8 | H11 | 110.0° | 110.7° |
| O3 | C7 | N3 | 124.3° | 120.0° |
| C9 | C8 | H10 | 110.0° | 110.7° |
| C9 | C8 | H11 | 110.0° | 110.8° |
| C8 | C9 | C10 | 105.9° | 101.5° |
| C8 | C9 | H12 | 110.4° | 111.1° |
| C8 | C9 | H13 | 110.3° | 111.0° |
| H10 | C8 | H11 | 109.4° | 110.8° |
| C10 | C9 | H12 | 110.3° | 111.2° |
| C10 | C9 | H13 | 110.4° | 110.8° |
| C9 | C10 | H14 | 110.0° | 110.5° |
| C9 | C10 | H15 | 110.0° | 110.3° |
| H12 | C9 | H13 | 109.5° | 111.0° |
| H14 | C10 | H15 | 109.5° | 110.4° |
| C12 | C11 | O4 | 110.6° | 109.5° |
| C12 | C11 | H16 | 110.4° | 109.5° |
| C11 | C12 | N3 | 110.6° | 109.5° |
| C11 | C12 | C13 | 112.5° | 109.4° |
| C11 | C12 | H19 | 108.7° | 109.5° |
| C12 | C11 | C16 | 109.0° | 109.5° |
| O4 | C11 | H16 | 113.1° | 109.5° |
| C11 | O4 | H18 | 109.5° | 114.0° |
| O4 | C11 | C16 | 102.3° | 109.4° |
| H16 | C11 | C16 | 111.1° | 109.4° |
| C12 | N3 | H17 | 115.3° | 120.0° |
| N3 | C12 | C13 | 105.8° | 109.5° |
| N3 | C12 | H19 | 110.1° | 109.5° |
| C12 | N3 | C7 | 129.3° | 120.0° |
| H17 | N3 | C7 | 115.3° | 120.0° |
| C13 | C12 | H19 | 109.2° | 109.4° |
| C12 | C13 | C14 | 103.6° | 109.5° |
| C12 | C13 | H20 | 109.8° | 109.5° |
| C12 | C13 | C15 | 113.2° | 109.4° |
| C14 | C13 | H20 | 110.3° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C13 | C14 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C14 | C13 | C15 | 110.0° | 109.4° |
| H20 | C13 | C15 | 109.9° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H23 | 109.5° | 109.4° |
| H22 | C14 | H23 | 109.4° | 109.4° |
| C13 | C15 | H24 | 109.5° | 109.4° |
| C13 | C15 | H25 | 109.5° | 109.5° |
| C13 | C15 | H26 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H26 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| F1 | C16 | F2 | 97.6° | 109.5° |
| F1 | C16 | C17 | 105.9° | 109.5° |
| F1 | C16 | C11 | 119.5° | 109.4° |
| F2 | C16 | C17 | 91.7° | 109.5° |
| F2 | C16 | C11 | 112.7° | 109.4° |
| C16 | C17 | O5 | 114.8° | 120.0° |
| C17 | C16 | C11 | 123.2° | 109.5° |
| C16 | C17 | N4 | 110.8° | 120.0° |
| O5 | C17 | N4 | 118.8° | 120.0° |
| C19 | C18 | C23 | 121.6° | 120.0° |
| C19 | C18 | C24 | 119.4° | 120.0° |
| C18 | C19 | C20 | 118.5° | 120.0° |
| C18 | C19 | H27 | 120.8° | 120.0° |
| C23 | C18 | C24 | 119.0° | 120.0° |
| C18 | C23 | C22 | 119.9° | 120.0° |
| C18 | C23 | H31 | 120.0° | 120.0° |
| C18 | C24 | C25 | 116.3° | 109.5° |
| C18 | C24 | H32 | 107.7° | 109.5° |
| C18 | C24 | H33 | 107.7° | 109.4° |
| C20 | C19 | H27 | 120.7° | 120.0° |
| C19 | C20 | C21 | 119.2° | 120.0° |
| C19 | C20 | H28 | 120.4° | 120.0° |
| C21 | C20 | H28 | 120.4° | 120.0° |
| C20 | C21 | C22 | 122.1° | 120.0° |
| C20 | C21 | H29 | 118.9° | 120.0° |
| C22 | C21 | H29 | 118.9° | 120.0° |
| C21 | C22 | C23 | 118.4° | 120.0° |
| C21 | C22 | H30 | 120.8° | 120.0° |
| C23 | C22 | H30 | 120.8° | 119.9° |
| C22 | C23 | H31 | 120.0° | 120.0° |
| C25 | C24 | H32 | 107.7° | 109.5° |
| C25 | C24 | H33 | 107.7° | 109.4° |
| C24 | C25 | N4 | 105.4° | 109.4° |
| C24 | C25 | H34 | 110.5° | 109.5° |
| C24 | C25 | H35 | 110.5° | 109.4° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| N4 | C25 | H34 | 110.5° | 109.5° |
| N4 | C25 | H35 | 110.5° | 109.5° |
| C25 | N4 | H36 | 106.5° | 109.5° |
| C25 | N4 | H37 | 106.5° | 109.5° |
| C25 | N4 | C17 | 121.2° | 109.4° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H36 | N4 | H37 | 109.4° | 109.5° |
| H36 | N4 | C17 | 106.5° | 109.5° |
| H37 | N4 | C17 | 106.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 177.1° | 179.7° |
| 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 | 2.0° | 0.0° |
| O1 | C1 | N1 | H4 | 178.0° | 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 | 179.1° | 179.8° |
| C2 | C1 | N1 | H4 | 0.9° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 177.1° | 89.7° |
| H2 | C2 | C1 | N1 | 62.9° | 30.2° |
| H3 | C2 | C1 | N1 | 57.1° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 116.7° | 120.0° |
| N1 | C3 | C4 | H5 | 121.4° | 120.0° |
| N1 | C3 | C5 | H5 | 120.7° | 120.0° |
| N1 | C3 | C4 | O2 | 88.3° | 27.5° |
| N1 | C3 | C5 | H6 | 180.0° | 64.7° |
| N1 | C3 | C5 | H7 | 60.0° | 175.2° |
| N1 | C3 | C5 | H8 | 60.0° | 55.3° |
| N1 | C3 | C4 | N2 | 84.4° | 152.5° |
| H4 | N1 | C3 | C4 | 74.8° | 25.0° |
| H4 | N1 | C3 | C5 | 44.5° | 94.9° |
| H4 | N1 | C3 | H5 | 164.6° | 145.0° |
| C4 | C3 | C5 | H5 | 121.6° | 120.0° |
| C3 | C4 | O2 | N2 | 172.3° | 179.9° |
| C4 | C3 | C5 | H6 | 62.3° | 55.2° |
| C4 | C3 | C5 | H7 | 177.7° | 64.8° |
| C4 | C3 | C5 | H8 | 57.7° | 175.3° |
| C3 | C4 | N2 | C6 | 179.2° | 175.3° |
| C3 | C4 | N2 | C10 | 20.6° | 4.4° |
| C4 | C3 | N1 | C1 | 105.2° | 155.0° |
| C5 | C3 | C4 | O2 | 28.4° | 92.5° |
| 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 | 135.5° | 85.0° |
| C5 | C3 | C4 | N2 | 158.9° | 87.6° |
| H5 | C3 | C4 | O2 | 150.3° | 147.4° |
| H5 | C3 | C5 | H6 | 59.3° | 175.3° |
| H5 | C3 | C5 | H7 | 60.7° | 55.2° |
| H5 | C3 | C5 | H8 | 179.3° | 64.7° |
| H5 | C3 | N1 | C1 | 15.4° | 35.0° |
| H5 | C3 | C4 | N2 | 37.0° | 32.5° |
| O2 | C4 | N2 | C6 | 8.2° | 4.6° |
| O2 | C4 | N2 | C10 | 166.8° | 175.7° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| C6 | N2 | C10 | C4 | 160.8° | 179.7° |
| N2 | C6 | C7 | C8 | 115.4° | 117.8° |
| N2 | C6 | C7 | H9 | 122.6° | 121.0° |
| N2 | C6 | C8 | H9 | 123.5° | 119.5° |
| N2 | C6 | C7 | O3 | 53.6° | 0.0° |
| N2 | C6 | C8 | C9 | 4.0° | 22.2° |
| N2 | C6 | C8 | H10 | 123.7° | 140.5° |
| N2 | C6 | C8 | H11 | 115.6° | 96.2° |
| C6 | N2 | C10 | C9 | 2.8° | 24.5° |
| C6 | N2 | C10 | H14 | 122.4° | 94.5° |
| C6 | N2 | C10 | H15 | 116.9° | 143.2° |
| N2 | C6 | C7 | N3 | 123.8° | 180.0° |
| C10 | N2 | C6 | C7 | 110.4° | 120.7° |
| C10 | N2 | C6 | C8 | 4.3° | 1.3° |
| C10 | N2 | C6 | H9 | 127.5° | 118.3° |
| N2 | C10 | C9 | C8 | 0.2° | 37.3° |
| N2 | C10 | C9 | H14 | 119.6° | 118.9° |
| N2 | C10 | C9 | H15 | 119.7° | 118.7° |
| N2 | C10 | C9 | H12 | 119.6° | 80.8° |
| N2 | C10 | C9 | H13 | 119.2° | 155.3° |
| N2 | C10 | H14 | H15 | 121.1° | 122.3° |
| C7 | C6 | C8 | H9 | 121.9° | 121.1° |
| C6 | C7 | O3 | N3 | 177.2° | 179.9° |
| C7 | C6 | C8 | C9 | 110.6° | 97.2° |
| C7 | C6 | C8 | H10 | 9.1° | 21.1° |
| C7 | C6 | C8 | H11 | 129.8° | 144.4° |
| C6 | C7 | N3 | C12 | 178.5° | 180.0° |
| C6 | C7 | N3 | H17 | 1.6° | 0.1° |
| C7 | C6 | N2 | C4 | 50.4° | 59.6° |
| C8 | C6 | C7 | O3 | 61.8° | 117.9° |
| C6 | C8 | C9 | H10 | 119.7° | 118.4° |
| C6 | C8 | C9 | H11 | 119.7° | 118.3° |
| C6 | C8 | H10 | H11 | 121.0° | 123.2° |
| C6 | C8 | C9 | C10 | 2.4° | 35.7° |
| C6 | C8 | C9 | H12 | 117.1° | 82.6° |
| C6 | C8 | C9 | H13 | 121.8° | 153.5° |
| C8 | C6 | N2 | C4 | 165.1° | 178.9° |
| C8 | C6 | C7 | N3 | 120.8° | 62.2° |
| H9 | C6 | C7 | O3 | 176.2° | 121.0° |
| H9 | C6 | C8 | C9 | 127.5° | 141.7° |
| H9 | C6 | C8 | H10 | 112.8° | 99.9° |
| H9 | C6 | C8 | H11 | 7.9° | 23.3° |
| H9 | C6 | N2 | C4 | 71.7° | 61.5° |
| H9 | C6 | C7 | N3 | 1.2° | 58.9° |
| O3 | C7 | N3 | C12 | 4.2° | 0.1° |
| O3 | C7 | N3 | H17 | 175.7° | 180.0° |
| C9 | C8 | H10 | H11 | 120.9° | 123.3° |
| C8 | C9 | C10 | H12 | 119.4° | 118.2° |
| C8 | C9 | C10 | H13 | 119.4° | 117.9° |
| C8 | C9 | H12 | H13 | 121.6° | 123.9° |
| C8 | C9 | C10 | H14 | 119.8° | 81.6° |
| C8 | C9 | C10 | H15 | 119.5° | 156.1° |
| H10 | C8 | C9 | C10 | 122.1° | 154.1° |
| H10 | C8 | C9 | H12 | 2.6° | 35.8° |
| H10 | C8 | C9 | H13 | 118.5° | 88.1° |
| H11 | C8 | C9 | C10 | 117.3° | 82.6° |
| H11 | C8 | C9 | H12 | 123.3° | 159.1° |
| H11 | C8 | C9 | H13 | 2.1° | 35.2° |
| C10 | C9 | H12 | H13 | 121.7° | 123.8° |
| C9 | C10 | H14 | H15 | 121.0° | 122.3° |
| C9 | C10 | N2 | C4 | 163.5° | 155.8° |
| H12 | C9 | C10 | H14 | 120.8° | 160.3° |
| H12 | C9 | C10 | H15 | 0.0° | 37.9° |
| H13 | C9 | C10 | H14 | 0.4° | 36.4° |
| H13 | C9 | C10 | H15 | 121.1° | 86.0° |
| H14 | C10 | N2 | C4 | 76.8° | 85.3° |
| H15 | C10 | N2 | C4 | 43.9° | 37.1° |
| C12 | C11 | O4 | H16 | 124.4° | 120.1° |
| C12 | C11 | O4 | C16 | 116.0° | 120.0° |
| C12 | C11 | H16 | C16 | 121.1° | 120.0° |
| C11 | C12 | N3 | C13 | 122.0° | 120.0° |
| C11 | C12 | N3 | H19 | 120.1° | 120.0° |
| C11 | C12 | N3 | H17 | 88.8° | 24.9° |
| C12 | C11 | O4 | H18 | 180.0° | 55.0° |
| C11 | C12 | C13 | H19 | 120.7° | 120.0° |
| C11 | C12 | C13 | C14 | 167.0° | 175.0° |
| C11 | C12 | C13 | H20 | 49.2° | 55.0° |
| C11 | C12 | C13 | C15 | 73.9° | 65.1° |
| C12 | C11 | C16 | F1 | 77.3° | 63.3° |
| C12 | C11 | C16 | F2 | 36.3° | 56.6° |
| C12 | C11 | C16 | C17 | 144.4° | 176.6° |
| C11 | C12 | N3 | C7 | 91.2° | 155.0° |
| O4 | C11 | H16 | C16 | 114.4° | 119.9° |
| O4 | C11 | C12 | N3 | 163.4° | 176.1° |
| O4 | C11 | C12 | C13 | 45.4° | 56.1° |
| O4 | C11 | C12 | H19 | 75.6° | 63.9° |
| O4 | C11 | C16 | F1 | 165.6° | 176.7° |
| O4 | C11 | C16 | F2 | 80.8° | 63.4° |
| O4 | C11 | C16 | C17 | 27.4° | 56.6° |
| H16 | C11 | C12 | N3 | 37.5° | 56.0° |
| H16 | C11 | O4 | H18 | 55.6° | 175.0° |
| H16 | C11 | C12 | C13 | 80.5° | 64.0° |
| H16 | C11 | C12 | H19 | 158.5° | 176.1° |
| H16 | C11 | C16 | F1 | 44.6° | 56.7° |
| H16 | C11 | C16 | F2 | 158.2° | 176.7° |
| H16 | C11 | C16 | C17 | 93.6° | 63.3° |
| C12 | N3 | H17 | C7 | 180.0° | 179.9° |
| N3 | C12 | C13 | H19 | 118.5° | 120.1° |
| N3 | C12 | C13 | C14 | 72.2° | 65.0° |
| N3 | C12 | C13 | H20 | 170.0° | 175.0° |
| N3 | C12 | C13 | C15 | 46.9° | 54.9° |
| N3 | C12 | C11 | C16 | 84.8° | 64.0° |
| H17 | N3 | C12 | C13 | 33.2° | 95.0° |
| H17 | N3 | C12 | H19 | 151.0° | 145.0° |
| H18 | O4 | C11 | C16 | 64.0° | 65.0° |
| C12 | C13 | C14 | H20 | 117.4° | 120.0° |
| C12 | C13 | C14 | C15 | 121.2° | 119.9° |
| C12 | C13 | H20 | C15 | 125.1° | 120.0° |
| C12 | C13 | C14 | H21 | 180.0° | 67.1° |
| C12 | C13 | C14 | H22 | 60.0° | 172.8° |
| C12 | C13 | C14 | H23 | 60.0° | 52.8° |
| C12 | C13 | C15 | H24 | 180.0° | 65.5° |
| C12 | C13 | C15 | H25 | 60.0° | 174.6° |
| C12 | C13 | C15 | H26 | 60.0° | 54.5° |
| C13 | C12 | N3 | C7 | 146.8° | 85.1° |
| C13 | C12 | C11 | C16 | 157.2° | 176.0° |
| H19 | C12 | C13 | C14 | 46.3° | 55.0° |
| H19 | C12 | C13 | H20 | 71.5° | 65.0° |
| H19 | C12 | C13 | C15 | 165.3° | 175.0° |
| H19 | C12 | N3 | C7 | 29.0° | 34.9° |
| H19 | C12 | C11 | C16 | 36.1° | 56.1° |
| C14 | C13 | H20 | C15 | 121.4° | 120.0° |
| C13 | C14 | H21 | H22 | 120.0° | 120.1° |
| C13 | C14 | H21 | H23 | 120.0° | 120.0° |
| C13 | C14 | H22 | H23 | 120.0° | 120.0° |
| C14 | C13 | C15 | H24 | 64.7° | 174.6° |
| C14 | C13 | C15 | H25 | 55.3° | 54.6° |
| C14 | C13 | C15 | H26 | 175.3° | 65.4° |
| H20 | C13 | C14 | H21 | 62.6° | 172.8° |
| H20 | C13 | C14 | H22 | 57.5° | 52.8° |
| H20 | C13 | C14 | H23 | 177.4° | 67.2° |
| H20 | C13 | C15 | H24 | 56.9° | 54.6° |
| H20 | C13 | C15 | H25 | 176.9° | 65.4° |
| H20 | C13 | C15 | H26 | 63.1° | 174.6° |
| H21 | C14 | H22 | H23 | 120.0° | 119.9° |
| H21 | C14 | C13 | C15 | 58.7° | 52.8° |
| H22 | C14 | C13 | C15 | 178.8° | 67.3° |
| H23 | C14 | C13 | C15 | 61.3° | 172.7° |
| C13 | C15 | H24 | H25 | 120.0° | 119.9° |
| C13 | C15 | H24 | H26 | 120.0° | 120.0° |
| C13 | C15 | H25 | H26 | 120.0° | 120.1° |
| H24 | C15 | H25 | H26 | 120.0° | 120.0° |
| F1 | C16 | F2 | C17 | 106.3° | 120.1° |
| F1 | C16 | F2 | C11 | 126.4° | 119.9° |
| F1 | C16 | C17 | C11 | 142.9° | 120.0° |
| F1 | C16 | C17 | O5 | 14.0° | 95.0° |
| F1 | C16 | C17 | N4 | 124.0° | 84.9° |
| F2 | C16 | C17 | C11 | 118.7° | 120.0° |
| F2 | C16 | C17 | O5 | 112.4° | 145.0° |
| F2 | C16 | C17 | N4 | 25.6° | 35.1° |
| C16 | C17 | O5 | N4 | 134.4° | 179.9° |
| C16 | C17 | N4 | C25 | 167.3° | 180.0° |
| C16 | C17 | N4 | H36 | 71.1° | 60.0° |
| C16 | C17 | N4 | H37 | 45.6° | 60.1° |
| O5 | C17 | N4 | C25 | 31.2° | 0.0° |
| O5 | C17 | N4 | H36 | 152.8° | 120.0° |
| O5 | C17 | N4 | H37 | 90.5° | 120.0° |
| O5 | C17 | C16 | C11 | 128.9° | 25.0° |
| C19 | C18 | C23 | C24 | 178.8° | 179.8° |
| C18 | C19 | C20 | H27 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 5.0° | 0.0° |
| C18 | C19 | C20 | H28 | 175.0° | 180.0° |
| C19 | C18 | C23 | C22 | 0.8° | 0.1° |
| C19 | C18 | C23 | H31 | 179.2° | 180.0° |
| C19 | C18 | C24 | C25 | 54.1° | 89.9° |
| C19 | C18 | C24 | H32 | 175.1° | 150.0° |
| C19 | C18 | C24 | H33 | 66.9° | 30.0° |
| C23 | C18 | C19 | C20 | 3.7° | 0.0° |
| C23 | C18 | C19 | H27 | 176.3° | 180.0° |
| C18 | C23 | C22 | C21 | 3.9° | 0.1° |
| C18 | C23 | C22 | H31 | 180.0° | 179.9° |
| C18 | C23 | C22 | H30 | 176.1° | 180.0° |
| C23 | C18 | C24 | C25 | 127.1° | 90.3° |
| C23 | C18 | C24 | H32 | 6.1° | 29.7° |
| C23 | C18 | C24 | H33 | 111.9° | 149.8° |
| C24 | C18 | C19 | C20 | 177.5° | 179.7° |
| C24 | C18 | C19 | H27 | 2.5° | 0.3° |
| C24 | C18 | C23 | C22 | 178.0° | 179.7° |
| C24 | C18 | C23 | H31 | 2.0° | 0.2° |
| C18 | C24 | C25 | H32 | 121.0° | 120.0° |
| C18 | C24 | C25 | H33 | 121.0° | 119.9° |
| C18 | C24 | H32 | H33 | 116.9° | 120.0° |
| C18 | C24 | C25 | N4 | 162.1° | 180.0° |
| C18 | C24 | C25 | H34 | 78.6° | 59.9° |
| C18 | C24 | C25 | H35 | 42.7° | 60.1° |
| C19 | C20 | C21 | H28 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 2.0° | 0.0° |
| C19 | C20 | C21 | H29 | 178.0° | 179.9° |
| H27 | C19 | C20 | C21 | 175.0° | 180.0° |
| H27 | C19 | C20 | H28 | 5.0° | 0.0° |
| C20 | C21 | C22 | H29 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 2.6° | 0.0° |
| C20 | C21 | C22 | H30 | 177.4° | 179.9° |
| H28 | C20 | C21 | C22 | 178.0° | 180.0° |
| H28 | C20 | C21 | H29 | 2.0° | 0.0° |
| C21 | C22 | C23 | H30 | 180.0° | 179.9° |
| C21 | C22 | C23 | H31 | 176.1° | 180.0° |
| H29 | C21 | C22 | C23 | 177.4° | 179.9° |
| H29 | C21 | C22 | H30 | 2.5° | 0.0° |
| H30 | C22 | C23 | H31 | 3.9° | 0.1° |
| C25 | C24 | H32 | H33 | 116.9° | 120.0° |
| C24 | C25 | N4 | H34 | 119.4° | 120.0° |
| C24 | C25 | N4 | H35 | 119.3° | 119.9° |
| C24 | C25 | H34 | H35 | 121.9° | 120.0° |
| C24 | C25 | N4 | H36 | 84.9° | 60.0° |
| C24 | C25 | N4 | H37 | 31.8° | 60.0° |
| C24 | C25 | N4 | C17 | 153.4° | 179.9° |
| H32 | C24 | C25 | N4 | 41.1° | 60.0° |
| H32 | C24 | C25 | H34 | 160.4° | 180.0° |
| H32 | C24 | C25 | H35 | 78.3° | 60.0° |
| H33 | C24 | C25 | N4 | 77.0° | 60.0° |
| H33 | C24 | C25 | H34 | 42.4° | 60.0° |
| H33 | C24 | C25 | H35 | 163.7° | 180.0° |
| N4 | C25 | H34 | H35 | 121.9° | 120.0° |
| C25 | N4 | H36 | H37 | 114.7° | 120.0° |
| C25 | N4 | H36 | C17 | 130.5° | 120.0° |
| C25 | N4 | H37 | C17 | 130.6° | 120.0° |
| H34 | C25 | N4 | H36 | 155.7° | 60.0° |
| H34 | C25 | N4 | H37 | 87.6° | 180.0° |
| H34 | C25 | N4 | C17 | 34.1° | 60.0° |
| H35 | C25 | N4 | H36 | 34.4° | 180.0° |
| H35 | C25 | N4 | H37 | 151.1° | 59.9° |
| H35 | C25 | N4 | C17 | 87.2° | 60.0° |
| H36 | N4 | H37 | C17 | 114.7° | 120.1° |
| C11 | C16 | C17 | N4 | 93.1° | 155.0° |
