P8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C19 | C24 | sing | 1.53Å | 1.54Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| N1 | C1 | sing | 1.35Å | 1.47Å | |
| C2 | C7 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| O5 | C1 | sing | 1.35Å | 1.42Å | |
| O5 | C15 | sing | 1.45Å | 1.42Å | |
| C1 | O1 | doub | 1.22Å | 1.19Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | C18 | sing | 1.53Å | 1.50Å | |
| C7 | O4 | doub | 1.21Å | 1.19Å | |
| C7 | N2 | sing | 1.35Å | 1.48Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| O3 | C14 | sing | 1.43Å | 1.41Å | |
| SG | C14 | sing | 1.81Å | 1.80Å | |
| C8 | C14 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.58Å | |
| C10 | C13 | sing | 1.55Å | 1.50Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.55Å | 1.56Å | |
| C12 | N3 | sing | 1.47Å | 1.54Å | |
| C11 | O2 | doub | 1.21Å | 1.19Å | |
| C11 | N3 | sing | 1.34Å | 1.49Å | |
| SG | O6 | doub | 1.42Å | 1.80Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| N2 | H38 | sing | 0.97Å | 1.00Å | |
| N3 | H39 | sing | 0.97Å | 1.00Å | |
| O3 | H40 | sing | 0.97Å | 0.95Å | |
| SG | O7 | sing | 1.52Å | 35.27Å | |
| SG | O8 | sing | 1.52Å | 35.27Å | |
| O7 | H41 | sing | 0.97Å | 0.00Å | |
| O8 | H42 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C6 | 107.5° | 109.5° |
| C5 | C4 | C3 | 109.8° | 109.5° |
| C5 | C4 | H5 | 109.6° | 109.4° |
| C4 | C5 | H35 | 109.5° | 109.5° |
| C4 | C5 | H36 | 109.5° | 109.5° |
| C4 | C5 | H37 | 109.4° | 109.5° |
| C22 | C21 | C20 | 110.9° | 109.4° |
| C21 | C22 | C23 | 108.3° | 109.5° |
| C22 | C21 | H18 | 109.1° | 109.5° |
| C22 | C21 | H19 | 109.1° | 109.5° |
| C21 | C22 | H20 | 109.8° | 109.5° |
| C21 | C22 | H21 | 109.7° | 109.4° |
| C21 | C20 | C19 | 113.9° | 109.4° |
| C21 | C20 | H16 | 108.3° | 109.5° |
| C21 | C20 | H17 | 108.3° | 109.5° |
| C20 | C21 | H18 | 109.1° | 109.4° |
| C20 | C21 | H19 | 109.1° | 109.5° |
| C22 | C23 | C24 | 112.2° | 109.5° |
| C23 | C22 | H20 | 109.7° | 109.5° |
| C23 | C22 | H21 | 109.8° | 109.5° |
| C22 | C23 | H31 | 108.8° | 109.4° |
| C22 | C23 | H32 | 108.8° | 109.5° |
| C6 | C4 | C3 | 110.9° | 109.5° |
| C6 | C4 | H5 | 109.6° | 109.5° |
| C4 | C6 | H6 | 109.5° | 109.5° |
| C4 | C6 | H7 | 109.5° | 109.5° |
| C4 | C6 | H8 | 109.5° | 109.5° |
| C4 | C3 | C2 | 111.1° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.4° |
| C4 | C3 | H4 | 109.1° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C20 | C19 | C24 | 113.4° | 109.5° |
| C20 | C19 | C17 | 108.3° | 109.5° |
| C20 | C19 | H15 | 109.4° | 109.5° |
| C19 | C20 | H16 | 108.4° | 109.5° |
| C19 | C20 | H17 | 108.4° | 109.4° |
| C23 | C24 | C19 | 115.1° | 109.4° |
| C24 | C23 | H31 | 108.8° | 109.5° |
| C24 | C23 | H32 | 108.8° | 109.5° |
| C23 | C24 | H33 | 108.0° | 109.5° |
| C23 | C24 | H34 | 108.0° | 109.5° |
| C3 | C2 | N1 | 110.5° | 109.5° |
| C3 | C2 | C7 | 111.0° | 109.5° |
| C3 | C2 | H2 | 108.4° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| C2 | C3 | H4 | 109.1° | 109.5° |
| C24 | C19 | C17 | 106.8° | 109.5° |
| C24 | C19 | H15 | 109.3° | 109.5° |
| C19 | C24 | H33 | 108.1° | 109.5° |
| C19 | C24 | H34 | 108.1° | 109.5° |
| C19 | C17 | C16 | 123.8° | 117.5° |
| C19 | C17 | C18 | 136.0° | 117.5° |
| C19 | C17 | H14 | 109.8° | 115.6° |
| C17 | C19 | H15 | 109.4° | 109.4° |
| C2 | N1 | C1 | 118.8° | 120.0° |
| N1 | C2 | C7 | 108.8° | 109.5° |
| C2 | N1 | H1 | 120.6° | 120.0° |
| N1 | C2 | H2 | 109.6° | 109.5° |
| N1 | C1 | O5 | 119.5° | 120.0° |
| N1 | C1 | O1 | 120.4° | 120.0° |
| C1 | N1 | H1 | 120.6° | 120.1° |
| C2 | C7 | O4 | 120.7° | 120.0° |
| C2 | C7 | N2 | 118.5° | 120.0° |
| C7 | C2 | H2 | 108.5° | 109.4° |
| C16 | C17 | C18 | 57.5° | 60.0° |
| C17 | C16 | C15 | 116.4° | 117.5° |
| C17 | C16 | C18 | 60.9° | 60.0° |
| C17 | C16 | H13 | 117.2° | 117.5° |
| C16 | C17 | H14 | 109.4° | 117.5° |
| C17 | C18 | C16 | 61.6° | 60.0° |
| C18 | C17 | H14 | 109.5° | 117.5° |
| C17 | C18 | H29 | 119.8° | 117.5° |
| C17 | C18 | H30 | 119.8° | 117.5° |
| C1 | O5 | C15 | 115.3° | 117.0° |
| O5 | C1 | O1 | 120.1° | 120.0° |
| O5 | C15 | C16 | 108.5° | 109.4° |
| O5 | C15 | H27 | 109.7° | 109.5° |
| O5 | C15 | H28 | 109.7° | 109.4° |
| C15 | C16 | C18 | 114.3° | 117.5° |
| C15 | C16 | H13 | 117.5° | 115.6° |
| C16 | C15 | H27 | 109.7° | 109.4° |
| C16 | C15 | H28 | 109.7° | 109.5° |
| C18 | C16 | H13 | 118.5° | 117.5° |
| C16 | C18 | H29 | 119.7° | 117.5° |
| C16 | C18 | H30 | 119.7° | 117.5° |
| O4 | C7 | N2 | 120.8° | 120.0° |
| C7 | N2 | C8 | 120.9° | 120.0° |
| C7 | N2 | H38 | 119.5° | 120.0° |
| N2 | C8 | C14 | 109.3° | 109.5° |
| N2 | C8 | C9 | 109.9° | 109.5° |
| N2 | C8 | H9 | 109.7° | 109.5° |
| C8 | N2 | H38 | 119.5° | 120.0° |
| O3 | C14 | SG | 108.4° | 109.5° |
| O3 | C14 | C8 | 107.0° | 109.4° |
| O3 | C14 | H26 | 113.3° | 109.5° |
| C14 | O3 | H40 | 109.5° | 114.0° |
| SG | C14 | C8 | 108.8° | 109.5° |
| C14 | SG | O6 | 103.7° | 114.7° |
| SG | C14 | H26 | 108.0° | 109.5° |
| C14 | SG | O7 | 118.2° | 108.3° |
| C14 | SG | O8 | 118.2° | 108.4° |
| C14 | C8 | C9 | 110.5° | 109.4° |
| C14 | C8 | H9 | 108.8° | 109.5° |
| C8 | C14 | H26 | 111.3° | 109.5° |
| C8 | C9 | C10 | 110.5° | 109.4° |
| C9 | C8 | H9 | 108.6° | 109.5° |
| C8 | C9 | H10 | 109.2° | 109.4° |
| C8 | C9 | H11 | 109.2° | 109.5° |
| C9 | C10 | C13 | 110.9° | 110.5° |
| C9 | C10 | C11 | 110.8° | 110.5° |
| C10 | C9 | H10 | 109.2° | 109.4° |
| C10 | C9 | H11 | 109.2° | 109.5° |
| C9 | C10 | H12 | 108.1° | 110.5° |
| C13 | C10 | C11 | 108.9° | 104.2° |
| C10 | C13 | C12 | 106.3° | 101.7° |
| C13 | C10 | H12 | 109.1° | 110.5° |
| C10 | C13 | H24 | 110.3° | 111.0° |
| C10 | C13 | H25 | 110.3° | 111.0° |
| C10 | C11 | O2 | 126.6° | 125.0° |
| C10 | C11 | N3 | 108.2° | 110.1° |
| C11 | C10 | H12 | 109.1° | 110.6° |
| C13 | C12 | N3 | 105.2° | 105.5° |
| C13 | C12 | H22 | 110.5° | 110.3° |
| C13 | C12 | H23 | 110.6° | 110.3° |
| C12 | C13 | H24 | 110.3° | 110.9° |
| C12 | C13 | H25 | 110.3° | 111.0° |
| C12 | N3 | C11 | 108.5° | 111.3° |
| N3 | C12 | H22 | 110.5° | 110.3° |
| N3 | C12 | H23 | 110.5° | 110.2° |
| C12 | N3 | H39 | 125.7° | 124.4° |
| O2 | C11 | N3 | 125.2° | 124.9° |
| C11 | N3 | H39 | 125.7° | 124.3° |
| O6 | SG | O7 | 134.6° | 108.3° |
| O6 | SG | O8 | 134.6° | 108.3° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H6 | C6 | H8 | 109.4° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.4° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.4° |
| H22 | C12 | H23 | 109.5° | 110.2° |
| H24 | C13 | H25 | 109.4° | 110.9° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 115.6° |
| H31 | C23 | H32 | 109.5° | 109.4° |
| H33 | C24 | H34 | 109.4° | 109.5° |
| H35 | C5 | H36 | 109.5° | 109.5° |
| H35 | C5 | H37 | 109.4° | 109.5° |
| H36 | C5 | H37 | 109.5° | 109.4° |
| O7 | SG | O8 | NaN° | 108.7° |
| SG | O7 | H41 | 90.0° | 114.0° |
| SG | O8 | H42 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C6 | C3 | 120.0° | 120.0° |
| C5 | C4 | C6 | H5 | 119.0° | 120.0° |
| C5 | C4 | C3 | H5 | 120.4° | 119.9° |
| C5 | C4 | C3 | C2 | 171.3° | 176.0° |
| C5 | C4 | C3 | H3 | 68.4° | 64.0° |
| C5 | C4 | C3 | H4 | 51.1° | 55.9° |
| C5 | C4 | C6 | H6 | 180.0° | 63.8° |
| C5 | C4 | C6 | H7 | 60.0° | 176.3° |
| C5 | C4 | C6 | H8 | 60.0° | 56.2° |
| C4 | C5 | H35 | H36 | 120.0° | 120.0° |
| C4 | C5 | H35 | H37 | 120.0° | 120.0° |
| C4 | C5 | H36 | H37 | 120.0° | 120.0° |
| C22 | C21 | C20 | H18 | 120.2° | 120.0° |
| C22 | C21 | C20 | H19 | 120.2° | 120.0° |
| C21 | C22 | C23 | H20 | 119.8° | 120.0° |
| C21 | C22 | C23 | H21 | 119.8° | 120.0° |
| C22 | C21 | C20 | C19 | 54.9° | 60.0° |
| C21 | C22 | C23 | C24 | 58.8° | 60.1° |
| C22 | C21 | C20 | H16 | 175.6° | 60.0° |
| C22 | C21 | C20 | H17 | 65.7° | 180.0° |
| C22 | C21 | H18 | H19 | 119.3° | 120.1° |
| C21 | C22 | H20 | H21 | 120.5° | 119.9° |
| C21 | C22 | C23 | H31 | 179.2° | 180.0° |
| C21 | C22 | C23 | H32 | 61.6° | 60.0° |
| C20 | C21 | C22 | C23 | 61.9° | 60.0° |
| C21 | C20 | C19 | H16 | 120.6° | 120.0° |
| C21 | C20 | C19 | H17 | 120.6° | 120.0° |
| C21 | C20 | C19 | C24 | 42.6° | 60.0° |
| C21 | C20 | C19 | C17 | 161.0° | 180.0° |
| C21 | C20 | C19 | H15 | 79.8° | 60.0° |
| C21 | C20 | H16 | H17 | 118.0° | 120.0° |
| C20 | C21 | H18 | H19 | 119.4° | 120.0° |
| C20 | C21 | C22 | H20 | 57.9° | 60.0° |
| C20 | C21 | C22 | H21 | 178.3° | 180.0° |
| C22 | C23 | C24 | H31 | 120.4° | 119.9° |
| C22 | C23 | C24 | H32 | 120.4° | 120.1° |
| C22 | C23 | C24 | C19 | 48.5° | 60.0° |
| C23 | C22 | C21 | H18 | 58.3° | 180.0° |
| C23 | C22 | C21 | H19 | 177.9° | 60.0° |
| C23 | C22 | H20 | H21 | 120.5° | 120.1° |
| C22 | C23 | H31 | H32 | 118.7° | 119.9° |
| C22 | C23 | C24 | H33 | 72.3° | 180.0° |
| C22 | C23 | C24 | H34 | 169.4° | 59.9° |
| C6 | C4 | C3 | H5 | 121.0° | 120.1° |
| C6 | C4 | C3 | C2 | 70.1° | 64.0° |
| C6 | C4 | C3 | H3 | 50.2° | 56.0° |
| C6 | C4 | C3 | H4 | 169.7° | 176.0° |
| C4 | C6 | H6 | H7 | 120.0° | 120.0° |
| C4 | C6 | H6 | H8 | 120.0° | 120.0° |
| C4 | C6 | H7 | H8 | 120.0° | 120.1° |
| C6 | C4 | C5 | H35 | 180.0° | 60.0° |
| C6 | C4 | C5 | H36 | 60.0° | 180.0° |
| C6 | C4 | C5 | H37 | 60.0° | 60.0° |
| C4 | C3 | C2 | H3 | 120.3° | 120.0° |
| C4 | C3 | C2 | H4 | 120.2° | 120.0° |
| C4 | C3 | C2 | N1 | 61.7° | 162.7° |
| C4 | C3 | C2 | C7 | 177.4° | 77.3° |
| C4 | C3 | C2 | H2 | 58.3° | 42.7° |
| C4 | C3 | H3 | H4 | 119.3° | 120.0° |
| C3 | C4 | C6 | H6 | 60.0° | 176.2° |
| C3 | C4 | C6 | H7 | 180.0° | 56.3° |
| C3 | C4 | C6 | H8 | 60.0° | 63.8° |
| C3 | C4 | C5 | H35 | 59.3° | 60.0° |
| C3 | C4 | C5 | H36 | 60.7° | 60.0° |
| C3 | C4 | C5 | H37 | 179.3° | 179.9° |
| C20 | C19 | C24 | C23 | 39.5° | 60.0° |
| C20 | C19 | C24 | C17 | 119.3° | 120.0° |
| C20 | C19 | C24 | H15 | 122.4° | 120.1° |
| C20 | C19 | C17 | H15 | 119.2° | 120.0° |
| C20 | C19 | C17 | C16 | 146.4° | 60.0° |
| C20 | C19 | C17 | C18 | 137.3° | 128.6° |
| C20 | C19 | C17 | H14 | 14.7° | 85.7° |
| C19 | C20 | H16 | H17 | 118.0° | 120.0° |
| C19 | C20 | C21 | H18 | 65.3° | 180.0° |
| C19 | C20 | C21 | H19 | 175.1° | 60.0° |
| C20 | C19 | C24 | H33 | 81.3° | 180.0° |
| C20 | C19 | C24 | H34 | 160.3° | 59.9° |
| C23 | C24 | C19 | H33 | 120.8° | 120.0° |
| C23 | C24 | C19 | H34 | 120.8° | 119.9° |
| C23 | C24 | C19 | C17 | 158.8° | 180.0° |
| C23 | C24 | C19 | H15 | 82.9° | 60.0° |
| C24 | C23 | C22 | H20 | 61.0° | 60.0° |
| C24 | C23 | C22 | H21 | 178.6° | 180.0° |
| C24 | C23 | H31 | H32 | 118.8° | 120.1° |
| C23 | C24 | H33 | H34 | 117.4° | 120.0° |
| C3 | C2 | N1 | C7 | 122.1° | 120.0° |
| C3 | C2 | N1 | H2 | 119.4° | 120.0° |
| C3 | C2 | N1 | C1 | 176.6° | 81.7° |
| C3 | C2 | C7 | H2 | 119.1° | 120.0° |
| C3 | C2 | C7 | O4 | 80.5° | 116.5° |
| C3 | C2 | C7 | N2 | 100.3° | 63.5° |
| C3 | C2 | N1 | H1 | 3.3° | 98.7° |
| C2 | C3 | H3 | H4 | 119.3° | 120.0° |
| C2 | C3 | C4 | H5 | 51.0° | 56.1° |
| C24 | C19 | C17 | H15 | 118.3° | 120.0° |
| C24 | C19 | C17 | C16 | 91.1° | 180.0° |
| C24 | C19 | C17 | C18 | 14.8° | 111.4° |
| C24 | C19 | C17 | H14 | 137.3° | 34.3° |
| C24 | C19 | C20 | H16 | 163.2° | 60.0° |
| C24 | C19 | C20 | H17 | 78.1° | 180.0° |
| C19 | C24 | C23 | H31 | 169.0° | 180.0° |
| C19 | C24 | C23 | H32 | 71.9° | 60.0° |
| C19 | C24 | H33 | H34 | 117.4° | 120.0° |
| C19 | C17 | C16 | C18 | 126.9° | 107.5° |
| C19 | C17 | C16 | H14 | 131.8° | 145.0° |
| C19 | C17 | C18 | H14 | 152.1° | 145.1° |
| C19 | C17 | C16 | C15 | 128.7° | 145.0° |
| C19 | C17 | C16 | H13 | 17.8° | 0.0° |
| C17 | C19 | C20 | H16 | 78.4° | 60.0° |
| C17 | C19 | C20 | H17 | 40.3° | 60.0° |
| C19 | C17 | C18 | H29 | 143.3° | 0.1° |
| C19 | C17 | C18 | H30 | 3.0° | 145.0° |
| C17 | C19 | C24 | H33 | 37.9° | 60.0° |
| C17 | C19 | C24 | H34 | 80.4° | 60.1° |
| C2 | N1 | C1 | H1 | 180.0° | 179.6° |
| N1 | C2 | C7 | H2 | 119.2° | 120.0° |
| C2 | N1 | C1 | O5 | 179.9° | 174.9° |
| C2 | N1 | C1 | O1 | 1.0° | 5.0° |
| N1 | C2 | C7 | O4 | 41.2° | 3.5° |
| N1 | C2 | C7 | N2 | 138.0° | 176.5° |
| N1 | C2 | C3 | H3 | 178.0° | 42.7° |
| N1 | C2 | C3 | H4 | 58.5° | 77.3° |
| C1 | N1 | C2 | C7 | 61.2° | 158.4° |
| N1 | C1 | O5 | O1 | 179.1° | 180.0° |
| N1 | C1 | O5 | C15 | 151.0° | 180.0° |
| C1 | N1 | C2 | H2 | 57.2° | 38.4° |
| C2 | C7 | O4 | N2 | 179.2° | 180.0° |
| C2 | C7 | N2 | C8 | 179.7° | 177.9° |
| C7 | C2 | N1 | H1 | 118.8° | 21.3° |
| C7 | C2 | C3 | H3 | 57.2° | 162.7° |
| C7 | C2 | C3 | H4 | 62.3° | 42.7° |
| C2 | C7 | N2 | H38 | 0.3° | 2.1° |
| C16 | C17 | C18 | H14 | 101.1° | 107.4° |
| C17 | C16 | C15 | O5 | 66.6° | 175.0° |
| C17 | C16 | C15 | C18 | 68.1° | 68.6° |
| C17 | C16 | C15 | H13 | 146.4° | 145.7° |
| C17 | C16 | C18 | H13 | 107.1° | 107.5° |
| C16 | C17 | C19 | H15 | 27.2° | 60.0° |
| C17 | C16 | C15 | H27 | 173.5° | 55.0° |
| C17 | C16 | C15 | H28 | 53.2° | 65.0° |
| C16 | C17 | C18 | H29 | 109.9° | 107.5° |
| C16 | C17 | C18 | H30 | 109.9° | 107.5° |
| C18 | C17 | C19 | H15 | 103.5° | 8.6° |
| C17 | C18 | H29 | H30 | 143.9° | 145.6° |
| C1 | O5 | C15 | C16 | 140.7° | 180.0° |
| O5 | C1 | N1 | H1 | 0.1° | 5.4° |
| C1 | O5 | C15 | H27 | 20.8° | 60.0° |
| C1 | O5 | C15 | H28 | 99.5° | 60.0° |
| C15 | O5 | C1 | O1 | 29.9° | 0.0° |
| O5 | C15 | C16 | H27 | 119.8° | 120.0° |
| O5 | C15 | C16 | H28 | 119.8° | 119.9° |
| O5 | C15 | C16 | C18 | 134.8° | 116.4° |
| O5 | C15 | C16 | H13 | 79.7° | 29.3° |
| O5 | C15 | H27 | H28 | 120.4° | 120.0° |
| O1 | C1 | N1 | H1 | 179.0° | 174.6° |
| C15 | C16 | C18 | H13 | 145.1° | 145.0° |
| C15 | C16 | C17 | H14 | 3.2° | 0.0° |
| C16 | C15 | H27 | H28 | 120.5° | 120.0° |
| C15 | C16 | C18 | H29 | 2.1° | 145.1° |
| C15 | C16 | C18 | H30 | 142.2° | 0.0° |
| C18 | C16 | C15 | H27 | 105.4° | 123.6° |
| C18 | C16 | C15 | H28 | 14.9° | 3.6° |
| C16 | C18 | H29 | H30 | 143.8° | 145.8° |
| O4 | C7 | N2 | C8 | 0.5° | 2.1° |
| O4 | C7 | C2 | H2 | 160.4° | 123.5° |
| O4 | C7 | N2 | H38 | 179.5° | 177.9° |
| C7 | N2 | C8 | H38 | 180.0° | 180.0° |
| C7 | N2 | C8 | C14 | 121.2° | 83.3° |
| C7 | N2 | C8 | C9 | 117.4° | 156.7° |
| N2 | C7 | C2 | H2 | 18.8° | 56.6° |
| C7 | N2 | C8 | H9 | 2.0° | 36.7° |
| N2 | C8 | C14 | O3 | 69.1° | 65.4° |
| N2 | C8 | C14 | SG | 47.8° | 54.6° |
| N2 | C8 | C14 | C9 | 121.0° | 120.0° |
| N2 | C8 | C14 | H9 | 119.8° | 120.0° |
| N2 | C8 | C9 | H9 | 120.0° | 120.1° |
| N2 | C8 | C9 | C10 | 62.7° | 66.2° |
| N2 | C8 | C9 | H10 | 57.5° | 53.7° |
| N2 | C8 | C9 | H11 | 177.2° | 173.8° |
| N2 | C8 | C14 | H26 | 166.7° | 174.6° |
| O3 | C14 | SG | C8 | 116.0° | 120.0° |
| O3 | C14 | SG | H26 | 123.0° | 120.0° |
| O3 | C14 | C8 | H26 | 124.2° | 120.0° |
| O3 | C14 | C8 | C9 | 169.8° | 174.6° |
| O3 | C14 | SG | O6 | 74.7° | 167.3° |
| O3 | C14 | C8 | H9 | 50.7° | 54.7° |
| O3 | C14 | SG | O7 | 123.3° | 46.2° |
| O3 | C14 | SG | O8 | 123.3° | 71.6° |
| SG | C14 | C8 | H26 | 118.9° | 120.0° |
| SG | C14 | C8 | C9 | 73.3° | 65.4° |
| C14 | SG | O6 | O7 | 157.5° | 121.1° |
| C14 | SG | O6 | O8 | 157.5° | 121.1° |
| SG | C14 | C8 | H9 | 167.6° | 174.7° |
| SG | C14 | O3 | H40 | 180.0° | 60.0° |
| C14 | SG | O7 | O8 | 90.0° | 117.6° |
| C14 | SG | O7 | H41 | 90.0° | 55.1° |
| C14 | SG | O8 | H42 | 90.0° | 180.0° |
| C14 | C8 | C9 | H9 | 119.2° | 120.0° |
| C14 | C8 | C9 | C10 | 176.6° | 173.8° |
| C8 | C14 | SG | O6 | 169.3° | 47.4° |
| C14 | C8 | C9 | H10 | 63.2° | 66.3° |
| C14 | C8 | C9 | H11 | 56.5° | 53.8° |
| C14 | C8 | N2 | H38 | 58.8° | 96.6° |
| C8 | C14 | O3 | H40 | 62.8° | 60.0° |
| C8 | C14 | SG | O7 | 7.3° | 73.8° |
| C8 | C14 | SG | O8 | 7.3° | 168.4° |
| C8 | C9 | C10 | H10 | 120.2° | 119.9° |
| C8 | C9 | C10 | H11 | 120.2° | 120.0° |
| C8 | C9 | C10 | C13 | 61.3° | 65.5° |
| C8 | C9 | C10 | C11 | 177.7° | 179.7° |
| C8 | C9 | H10 | H11 | 119.5° | 120.0° |
| C8 | C9 | C10 | H12 | 58.2° | 57.0° |
| C9 | C8 | C14 | H26 | 45.6° | 54.6° |
| C9 | C8 | N2 | H38 | 62.6° | 23.3° |
| C9 | C10 | C13 | C11 | 122.1° | 118.6° |
| C9 | C10 | C13 | H12 | 118.9° | 122.5° |
| C9 | C10 | C11 | H12 | 118.9° | 122.6° |
| C9 | C10 | C13 | C12 | 139.4° | 143.4° |
| C9 | C10 | C11 | O2 | 47.3° | 45.1° |
| C9 | C10 | C11 | N3 | 133.9° | 134.9° |
| C10 | C9 | C8 | H9 | 57.4° | 53.9° |
| C10 | C9 | H10 | H11 | 119.5° | 120.1° |
| C9 | C10 | C13 | H24 | 19.9° | 25.3° |
| C9 | C10 | C13 | H25 | 101.1° | 98.5° |
| C13 | C10 | C11 | H12 | 119.0° | 118.7° |
| C10 | C13 | C12 | H24 | 119.5° | 118.1° |
| C10 | C13 | C12 | H25 | 119.5° | 118.1° |
| C10 | C13 | C12 | N3 | 16.0° | 25.4° |
| C13 | C10 | C11 | O2 | 169.5° | 163.7° |
| C13 | C10 | C11 | N3 | 11.7° | 16.3° |
| C13 | C10 | C9 | H10 | 178.6° | 174.5° |
| C13 | C10 | C9 | H11 | 58.9° | 54.5° |
| C10 | C13 | C12 | H22 | 135.2° | 144.4° |
| C10 | C13 | C12 | H23 | 103.4° | 93.6° |
| C10 | C13 | H24 | H25 | 121.4° | 123.9° |
| C11 | C10 | C13 | C12 | 17.3° | 24.8° |
| C10 | C11 | N3 | C12 | 1.2° | 0.4° |
| C10 | C11 | O2 | N3 | 178.5° | 180.0° |
| C11 | C10 | C9 | H10 | 57.6° | 59.8° |
| C11 | C10 | C9 | H11 | 62.1° | 60.3° |
| C11 | C10 | C13 | H24 | 102.2° | 93.3° |
| C11 | C10 | C13 | H25 | 136.8° | 142.9° |
| C10 | C11 | N3 | H39 | 178.8° | 179.6° |
| C13 | C12 | N3 | H22 | 119.3° | 119.0° |
| C13 | C12 | N3 | H23 | 119.3° | 119.1° |
| C13 | C12 | N3 | C11 | 9.1° | 17.0° |
| C12 | C13 | C10 | H12 | 101.7° | 94.0° |
| C13 | C12 | H22 | H23 | 122.0° | 122.0° |
| C12 | C13 | H24 | H25 | 121.5° | 123.8° |
| C13 | C12 | N3 | H39 | 170.9° | 163.0° |
| C12 | N3 | C11 | O2 | 180.0° | 179.6° |
| C12 | N3 | C11 | H39 | 180.0° | 180.0° |
| N3 | C12 | H22 | H23 | 122.0° | 121.9° |
| N3 | C12 | C13 | H24 | 103.6° | 92.7° |
| N3 | C12 | C13 | H25 | 135.5° | 143.5° |
| O2 | C11 | C10 | H12 | 71.5° | 77.5° |
| O2 | C11 | N3 | H39 | 0.0° | 0.4° |
| N3 | C11 | C10 | H12 | 107.2° | 102.5° |
| C11 | N3 | C12 | H22 | 128.4° | 136.0° |
| C11 | N3 | C12 | H23 | 110.2° | 102.1° |
| O6 | SG | C14 | H26 | 48.3° | 72.6° |
| O6 | SG | O7 | O8 | 90.0° | 117.5° |
| O6 | SG | O7 | H41 | 90.0° | 180.0° |
| O6 | SG | O8 | H42 | 90.0° | 55.1° |
| H1 | N1 | C2 | H2 | 122.7° | 141.3° |
| H2 | C2 | C3 | H3 | 61.9° | 77.3° |
| H2 | C2 | C3 | H4 | 178.6° | 162.7° |
| H3 | C3 | C4 | H5 | 171.2° | 176.0° |
| H4 | C3 | C4 | H5 | 69.3° | 64.0° |
| H5 | C4 | C6 | H6 | 61.0° | 56.2° |
| H5 | C4 | C6 | H7 | 59.1° | 63.7° |
| H5 | C4 | C6 | H8 | 179.1° | 176.2° |
| H5 | C4 | C5 | H35 | 60.9° | 179.9° |
| H5 | C4 | C5 | H36 | 179.0° | 59.9° |
| H5 | C4 | C5 | H37 | 59.0° | 60.0° |
| H6 | C6 | H7 | H8 | 120.0° | 120.0° |
| H9 | C8 | C9 | H10 | 177.5° | 173.8° |
| H9 | C8 | C9 | H11 | 62.8° | 66.1° |
| H9 | C8 | C14 | H26 | 73.5° | 65.3° |
| H9 | C8 | N2 | H38 | 178.0° | 143.3° |
| H10 | C9 | C10 | H12 | 61.9° | 62.9° |
| H11 | C9 | C10 | H12 | 178.4° | 177.0° |
| H12 | C10 | C13 | H24 | 138.8° | 147.9° |
| H12 | C10 | C13 | H25 | 17.8° | 24.1° |
| H13 | C16 | C17 | H14 | 149.6° | 145.0° |
| H13 | C16 | C15 | H27 | 40.1° | 90.7° |
| H13 | C16 | C15 | H28 | 160.4° | 149.3° |
| H13 | C16 | C18 | H29 | 143.0° | 0.1° |
| H13 | C16 | C18 | H30 | 2.9° | 145.0° |
| H14 | C17 | C19 | H15 | 104.5° | 154.3° |
| H14 | C17 | C18 | H29 | 8.8° | 145.0° |
| H14 | C17 | C18 | H30 | 149.1° | 0.1° |
| H15 | C19 | C20 | H16 | 40.8° | 180.0° |
| H15 | C19 | C20 | H17 | 159.6° | 60.0° |
| H15 | C19 | C24 | H33 | 156.2° | 59.9° |
| H15 | C19 | C24 | H34 | 37.9° | 180.0° |
| H16 | C20 | C21 | H18 | 55.3° | 60.0° |
| H16 | C20 | C21 | H19 | 64.2° | 180.0° |
| H17 | C20 | C21 | H18 | 174.0° | 60.0° |
| H17 | C20 | C21 | H19 | 54.5° | 60.0° |
| H18 | C21 | C22 | H20 | 178.1° | 59.9° |
| H18 | C21 | C22 | H21 | 61.5° | 60.0° |
| H19 | C21 | C22 | H20 | 62.3° | 180.0° |
| H19 | C21 | C22 | H21 | 58.1° | 60.1° |
| H20 | C22 | C23 | H31 | 59.4° | 60.0° |
| H20 | C22 | C23 | H32 | 178.6° | 179.9° |
| H21 | C22 | C23 | H31 | 61.0° | 60.0° |
| H21 | C22 | C23 | H32 | 58.2° | 59.9° |
| H22 | C12 | C13 | H24 | 15.7° | 26.3° |
| H22 | C12 | C13 | H25 | 105.2° | 97.4° |
| H22 | C12 | N3 | H39 | 51.6° | 43.9° |
| H23 | C12 | C13 | H24 | 137.1° | 148.2° |
| H23 | C12 | C13 | H25 | 16.1° | 24.5° |
| H23 | C12 | N3 | H39 | 69.8° | 77.9° |
| H26 | C14 | O3 | H40 | 60.2° | 180.0° |
| H26 | C14 | SG | O7 | 113.7° | 166.3° |
| H26 | C14 | SG | O8 | 113.7° | 48.4° |
| H31 | C23 | C24 | H33 | 48.1° | 60.1° |
| H31 | C23 | C24 | H34 | 70.2° | 60.0° |
| H32 | C23 | C24 | H33 | 167.3° | 59.9° |
| H32 | C23 | C24 | H34 | 49.0° | 180.0° |
| H35 | C5 | H36 | H37 | 120.0° | 120.0° |
| O7 | SG | O8 | H42 | 90.0° | 62.4° |
| O8 | SG | O7 | H41 | 90.0° | 62.5° |
