GYA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C25 | sing | 1.74Å | 1.73Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O3 | sing | 1.43Å | 1.42Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | S1 | sing | 1.76Å | 1.77Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| S1 | C19 | sing | 1.81Å | 1.82Å | |
| O3 | C9 | sing | 1.36Å | 1.37Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C7 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | O4 | sing | 1.43Å | 1.42Å | |
| O6 | C18 | doub | 1.21Å | 1.23Å | |
| C11 | O4 | sing | 1.36Å | 1.37Å | |
| C11 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | N3 | sing | 1.35Å | 1.34Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C5 | C15 | sing | 1.54Å | 1.54Å | |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| N3 | C26 | sing | 1.47Å | 1.47Å | |
| N3 | C17 | sing | 1.47Å | 1.47Å | |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| C4 | C3 | sing | 1.48Å | 1.50Å | |
| C26 | C27 | sing | 1.55Å | 1.51Å | |
| N2 | C3 | sing | 1.34Å | 1.34Å | |
| N2 | C16 | doub | 1.30Å | 1.34Å | |
| C3 | C2 | doub | 1.39Å | 1.36Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | C28 | sing | 1.54Å | 1.54Å | |
| C16 | N4 | sing | 1.36Å | 1.37Å | |
| C2 | O2 | sing | 1.36Å | 1.34Å | |
| C2 | C1 | sing | 1.47Å | 1.39Å | |
| C27 | C28 | sing | 1.55Å | 1.52Å | |
| N4 | C1 | sing | 1.35Å | 1.38Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.08Å | 1.08Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C25 | C24 | 118.5° | 120.0° |
| CL1 | C25 | C20 | 120.6° | 120.0° |
| C25 | C24 | C23 | 119.6° | 120.1° |
| C24 | C25 | C20 | 120.9° | 119.9° |
| C25 | C24 | H16 | 120.2° | 120.0° |
| C24 | C23 | C22 | 120.4° | 120.1° |
| C24 | C23 | H15 | 119.8° | 119.9° |
| C23 | C24 | H16 | 120.2° | 120.0° |
| C25 | C20 | S1 | 120.1° | 120.1° |
| C25 | C20 | C21 | 118.7° | 119.8° |
| C10 | O3 | C9 | 117.0° | 117.0° |
| O3 | C10 | H1 | 109.5° | 109.5° |
| O3 | C10 | H2 | 109.5° | 109.5° |
| O3 | C10 | H3 | 109.5° | 109.5° |
| C23 | C22 | C21 | 120.3° | 120.1° |
| C23 | C22 | H14 | 119.8° | 119.9° |
| C22 | C23 | H15 | 119.8° | 120.0° |
| S1 | C20 | C21 | 121.2° | 120.1° |
| C20 | S1 | C19 | 106.4° | 103.0° |
| C20 | C21 | C22 | 120.0° | 119.9° |
| C20 | C21 | H13 | 120.0° | 120.0° |
| S1 | C19 | C18 | 114.5° | 109.4° |
| S1 | C19 | H11 | 108.2° | 109.5° |
| S1 | C19 | H12 | 108.2° | 109.5° |
| O3 | C9 | C8 | 125.0° | 120.1° |
| O3 | C9 | C11 | 114.8° | 120.1° |
| C22 | C21 | H13 | 120.0° | 120.0° |
| C21 | C22 | H14 | 119.8° | 120.0° |
| C9 | C8 | C7 | 118.7° | 120.2° |
| C8 | C9 | C11 | 120.3° | 119.8° |
| C9 | C8 | H26 | 120.7° | 119.8° |
| C8 | C7 | C6 | 129.7° | 130.3° |
| C8 | C7 | C14 | 121.0° | 120.0° |
| C7 | C8 | H26 | 120.7° | 119.9° |
| C9 | C11 | O4 | 114.5° | 120.1° |
| C9 | C11 | C13 | 120.5° | 119.8° |
| C19 | C18 | O6 | 120.8° | 120.0° |
| C19 | C18 | N3 | 118.2° | 120.0° |
| C18 | C19 | H11 | 108.2° | 109.5° |
| C18 | C19 | H12 | 108.2° | 109.5° |
| C7 | C6 | C5 | 101.7° | 105.2° |
| C6 | C7 | C14 | 109.2° | 109.7° |
| C7 | C6 | H24 | 111.4° | 110.3° |
| C7 | C6 | H25 | 111.4° | 110.3° |
| C6 | C5 | N1 | 109.4° | 110.8° |
| C6 | C5 | C15 | 101.5° | 102.4° |
| C6 | C5 | H23 | 111.3° | 111.0° |
| C5 | C6 | H24 | 111.4° | 110.3° |
| C5 | C6 | H25 | 111.4° | 110.3° |
| C7 | C14 | C13 | 120.9° | 120.0° |
| C7 | C14 | C15 | 109.3° | 109.8° |
| C12 | O4 | C11 | 116.6° | 117.0° |
| O4 | C12 | H4 | 109.5° | 109.5° |
| O4 | C12 | H5 | 109.5° | 109.4° |
| O4 | C12 | H6 | 109.5° | 109.5° |
| O6 | C18 | N3 | 121.0° | 120.0° |
| O4 | C11 | C13 | 125.0° | 120.1° |
| C11 | C13 | C14 | 118.6° | 120.2° |
| C11 | C13 | H7 | 120.7° | 119.9° |
| C18 | N3 | C26 | 125.3° | 125.7° |
| C18 | N3 | C17 | 123.0° | 125.6° |
| C13 | C14 | C15 | 129.8° | 130.2° |
| C14 | C13 | H7 | 120.7° | 119.9° |
| C14 | C15 | C5 | 101.8° | 105.1° |
| C14 | C15 | H8 | 111.4° | 110.3° |
| C14 | C15 | H9 | 111.4° | 110.3° |
| N1 | C5 | C15 | 110.0° | 110.8° |
| C5 | N1 | C4 | 121.6° | 120.1° |
| N1 | C5 | H23 | 112.7° | 110.7° |
| C5 | N1 | H27 | 119.2° | 120.0° |
| C5 | C15 | H8 | 111.3° | 110.3° |
| C5 | C15 | H9 | 111.3° | 110.4° |
| C15 | C5 | H23 | 111.3° | 110.8° |
| N1 | C4 | O5 | 122.1° | 119.9° |
| N1 | C4 | C3 | 116.0° | 120.0° |
| C4 | N1 | H27 | 119.2° | 119.9° |
| C26 | N3 | C17 | 111.7° | 108.7° |
| N3 | C26 | C27 | 103.2° | 104.8° |
| N3 | C26 | H17 | 111.0° | 110.4° |
| N3 | C26 | H18 | 111.0° | 110.4° |
| N3 | C17 | C16 | 112.2° | 109.9° |
| N3 | C17 | C28 | 100.1° | 107.2° |
| N3 | C17 | H10 | 110.7° | 110.0° |
| O5 | C4 | C3 | 121.9° | 120.0° |
| C4 | C3 | N2 | 117.5° | 120.3° |
| C4 | C3 | C2 | 120.2° | 120.2° |
| C26 | C27 | C28 | 102.0° | 101.6° |
| C27 | C26 | H17 | 111.0° | 110.4° |
| C27 | C26 | H18 | 111.0° | 110.4° |
| C26 | C27 | H19 | 111.3° | 111.0° |
| C26 | C27 | H20 | 111.3° | 111.0° |
| C3 | N2 | C16 | 119.0° | 122.2° |
| N2 | C3 | C2 | 122.2° | 119.4° |
| N2 | C16 | C17 | 117.7° | 118.7° |
| N2 | C16 | N4 | 120.8° | 122.6° |
| C3 | C2 | O2 | 123.6° | 121.2° |
| C3 | C2 | C1 | 120.0° | 117.7° |
| C16 | C17 | C28 | 113.7° | 109.9° |
| C17 | C16 | N4 | 121.5° | 118.7° |
| C16 | C17 | H10 | 110.1° | 109.9° |
| C17 | C28 | C27 | 101.5° | 103.0° |
| C28 | C17 | H10 | 109.7° | 109.9° |
| C17 | C28 | H21 | 111.4° | 110.7° |
| C17 | C28 | H22 | 111.4° | 110.7° |
| C16 | N4 | C1 | 121.4° | 120.1° |
| C16 | N4 | H28 | 119.3° | 119.9° |
| O2 | C2 | C1 | 116.5° | 121.1° |
| C2 | O2 | H29 | 109.5° | 114.0° |
| C2 | C1 | N4 | 116.6° | 118.0° |
| C2 | C1 | O1 | 123.7° | 121.1° |
| C28 | C27 | H19 | 111.3° | 111.0° |
| C28 | C27 | H20 | 111.3° | 111.0° |
| C27 | C28 | H21 | 111.4° | 110.8° |
| C27 | C28 | H22 | 111.4° | 110.7° |
| N4 | C1 | O1 | 119.7° | 121.0° |
| C1 | N4 | H28 | 119.3° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 109.5° |
| H4 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 110.3° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.4° | 110.3° |
| H19 | C27 | H20 | 109.5° | 110.9° |
| H21 | C28 | H22 | 109.5° | 110.7° |
| H24 | C6 | H25 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C25 | C24 | C20 | 180.0° | 179.4° |
| CL1 | C25 | C24 | C23 | 179.8° | 180.0° |
| CL1 | C25 | C20 | S1 | 0.2° | 0.3° |
| CL1 | C25 | C20 | C21 | 180.0° | 180.0° |
| CL1 | C25 | C24 | H16 | 0.2° | 0.6° |
| C25 | C24 | C23 | H16 | 180.0° | 179.4° |
| C25 | C24 | C23 | C22 | 0.2° | 0.4° |
| C24 | C25 | C20 | S1 | 179.8° | 179.7° |
| C24 | C25 | C20 | C21 | 0.0° | 0.6° |
| C25 | C24 | C23 | H15 | 179.8° | 179.7° |
| C23 | C24 | C25 | C20 | 0.2° | 0.7° |
| C24 | C23 | C22 | H15 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | H14 | 179.9° | 180.0° |
| C25 | C20 | S1 | C21 | 179.8° | 179.7° |
| C25 | C20 | S1 | C19 | 171.0° | 179.7° |
| C25 | C20 | C21 | C22 | 0.2° | 0.3° |
| C25 | C20 | C21 | H13 | 179.8° | 179.7° |
| C20 | C25 | C24 | H16 | 179.8° | 180.0° |
| C10 | O3 | C9 | C8 | 2.8° | 0.0° |
| C10 | O3 | C9 | C11 | 177.6° | 179.5° |
| O3 | C10 | H1 | H2 | 120.0° | 120.1° |
| O3 | C10 | H1 | H3 | 120.0° | 120.0° |
| O3 | C10 | H2 | H3 | 120.0° | 120.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | H13 | 179.9° | 180.0° |
| C22 | C23 | C24 | H16 | 179.8° | 179.7° |
| S1 | C20 | C21 | C22 | 180.0° | 180.0° |
| C20 | S1 | C19 | C18 | 70.3° | 180.0° |
| C20 | S1 | C19 | H11 | 169.0° | 60.0° |
| C20 | S1 | C19 | H12 | 50.4° | 60.0° |
| S1 | C20 | C21 | H13 | 0.0° | 0.0° |
| C21 | C20 | S1 | C19 | 8.7° | 0.0° |
| C20 | C21 | C22 | H13 | 180.0° | 180.0° |
| C20 | C21 | C22 | H14 | 179.9° | 180.0° |
| S1 | C19 | C18 | H11 | 120.7° | 120.0° |
| S1 | C19 | C18 | H12 | 120.7° | 120.0° |
| S1 | C19 | C18 | O6 | 1.5° | 0.0° |
| S1 | C19 | C18 | N3 | 178.8° | 180.0° |
| S1 | C19 | H11 | H12 | 117.7° | 120.0° |
| O3 | C9 | C8 | C11 | 179.6° | 179.5° |
| O3 | C9 | C8 | C7 | 179.8° | 180.0° |
| O3 | C9 | C11 | O4 | 0.3° | 0.2° |
| O3 | C9 | C11 | C13 | 179.8° | 180.0° |
| C9 | O3 | C10 | H1 | 180.0° | 60.0° |
| C9 | O3 | C10 | H2 | 60.0° | 60.0° |
| C9 | O3 | C10 | H3 | 60.0° | 180.0° |
| O3 | C9 | C8 | H26 | 0.1° | 0.5° |
| C21 | C22 | C23 | H15 | 179.9° | 180.0° |
| C9 | C8 | C7 | H26 | 180.0° | 179.5° |
| C9 | C8 | C7 | C6 | 179.8° | 179.8° |
| C9 | C8 | C7 | C14 | 0.6° | 0.3° |
| C8 | C9 | C11 | O4 | 179.9° | 179.7° |
| C8 | C9 | C11 | C13 | 0.5° | 0.5° |
| C7 | C8 | C9 | C11 | 0.6° | 0.5° |
| C8 | C7 | C6 | C14 | 179.3° | 180.0° |
| C8 | C7 | C6 | C5 | 155.9° | 162.8° |
| C8 | C7 | C14 | C13 | 0.6° | 0.0° |
| C8 | C7 | C14 | C15 | 179.9° | 180.0° |
| C8 | C7 | C6 | H24 | 85.3° | 78.3° |
| C8 | C7 | C6 | H25 | 37.2° | 43.9° |
| C9 | C11 | O4 | C12 | 101.8° | 179.7° |
| C9 | C11 | O4 | C13 | 179.5° | 179.8° |
| C9 | C11 | C13 | C14 | 0.5° | 0.2° |
| C9 | C11 | C13 | H7 | 179.5° | 179.7° |
| C11 | C9 | C8 | H26 | 179.5° | 180.0° |
| C19 | C18 | O6 | N3 | 179.7° | 180.0° |
| C19 | C18 | N3 | C26 | 5.5° | 0.1° |
| C19 | C18 | N3 | C17 | 175.6° | 179.9° |
| C18 | C19 | H11 | H12 | 117.7° | 120.0° |
| C7 | C6 | C5 | H24 | 118.7° | 118.9° |
| C7 | C6 | C5 | H25 | 118.7° | 118.9° |
| C6 | C7 | C14 | C13 | 179.9° | 180.0° |
| C6 | C7 | C14 | C15 | 0.5° | 0.0° |
| C7 | C6 | C5 | N1 | 78.0° | 144.6° |
| C7 | C6 | C5 | C15 | 38.1° | 26.4° |
| C7 | C6 | C5 | H23 | 156.7° | 92.0° |
| C7 | C6 | H24 | H25 | 123.6° | 122.1° |
| C6 | C7 | C8 | H26 | 0.3° | 0.3° |
| C5 | C6 | C7 | C14 | 24.8° | 17.2° |
| C6 | C5 | C15 | C14 | 37.8° | 26.4° |
| C6 | C5 | N1 | C15 | 110.7° | 113.0° |
| C6 | C5 | N1 | H23 | 124.5° | 123.6° |
| C6 | C5 | C15 | H23 | 118.5° | 118.4° |
| C6 | C5 | N1 | C4 | 122.9° | 92.0° |
| C6 | C5 | C15 | H8 | 156.6° | 92.5° |
| C6 | C5 | C15 | H9 | 80.9° | 145.3° |
| C5 | C6 | H24 | H25 | 123.6° | 122.2° |
| C6 | C5 | N1 | H27 | 57.1° | 87.9° |
| C7 | C14 | C13 | C11 | 0.5° | 0.0° |
| C7 | C14 | C13 | C15 | 179.5° | 180.0° |
| C7 | C14 | C15 | C5 | 23.9° | 17.2° |
| C7 | C14 | C13 | H7 | 179.5° | 180.0° |
| C7 | C14 | C15 | H8 | 142.6° | 101.7° |
| C7 | C14 | C15 | H9 | 94.8° | 136.2° |
| C14 | C7 | C6 | H24 | 93.9° | 101.7° |
| C14 | C7 | C6 | H25 | 143.5° | 136.1° |
| C14 | C7 | C8 | H26 | 179.4° | 179.7° |
| C12 | O4 | C11 | C13 | 78.6° | 0.0° |
| O4 | C12 | H4 | H5 | 120.0° | 119.9° |
| O4 | C12 | H4 | H6 | 120.0° | 120.0° |
| O4 | C12 | H5 | H6 | 120.0° | 120.0° |
| O6 | C18 | N3 | C26 | 174.2° | 179.9° |
| O6 | C18 | N3 | C17 | 4.7° | 0.1° |
| O6 | C18 | C19 | H11 | 119.2° | 120.0° |
| O6 | C18 | C19 | H12 | 122.3° | 120.0° |
| O4 | C11 | C13 | C14 | 180.0° | 180.0° |
| C11 | O4 | C12 | H4 | 180.0° | 59.9° |
| C11 | O4 | C12 | H5 | 60.0° | 60.0° |
| C11 | O4 | C12 | H6 | 60.0° | 180.0° |
| O4 | C11 | C13 | H7 | 0.0° | 0.1° |
| C11 | C13 | C14 | H7 | 180.0° | 179.9° |
| C11 | C13 | C14 | C15 | 180.0° | 180.0° |
| C18 | N3 | C26 | C17 | 179.1° | 179.9° |
| C18 | N3 | C26 | C27 | 175.2° | 155.9° |
| C18 | N3 | C17 | C16 | 82.3° | 61.6° |
| C18 | N3 | C17 | C28 | 156.8° | 179.0° |
| C18 | N3 | C17 | H10 | 41.1° | 59.5° |
| N3 | C18 | C19 | H11 | 60.5° | 60.0° |
| N3 | C18 | C19 | H12 | 58.0° | 60.0° |
| C18 | N3 | C26 | H17 | 65.8° | 85.2° |
| C18 | N3 | C26 | H18 | 56.2° | 37.0° |
| C13 | C14 | C15 | C5 | 155.6° | 162.9° |
| C13 | C14 | C15 | H8 | 36.9° | 78.3° |
| C13 | C14 | C15 | H9 | 85.7° | 43.8° |
| C14 | C15 | C5 | N1 | 77.9° | 144.6° |
| C14 | C15 | C5 | H8 | 118.7° | 118.9° |
| C14 | C15 | C5 | H9 | 118.7° | 119.0° |
| C15 | C14 | C13 | H7 | 0.0° | 0.0° |
| C14 | C15 | H8 | H9 | 123.6° | 122.1° |
| C14 | C15 | C5 | H23 | 156.4° | 92.1° |
| N1 | C5 | C15 | H23 | 125.7° | 123.3° |
| C5 | N1 | C4 | H27 | 180.0° | 179.9° |
| C5 | N1 | C4 | O5 | 5.7° | 0.0° |
| C5 | N1 | C4 | C3 | 173.2° | 180.0° |
| N1 | C5 | C15 | H8 | 40.8° | 25.7° |
| N1 | C5 | C15 | H9 | 163.3° | 96.4° |
| N1 | C5 | C6 | H24 | 163.2° | 25.7° |
| N1 | C5 | C6 | H25 | 40.7° | 96.5° |
| C15 | C5 | N1 | C4 | 126.4° | 155.0° |
| C5 | C15 | H8 | H9 | 123.6° | 122.2° |
| C15 | C5 | C6 | H24 | 80.6° | 92.5° |
| C15 | C5 | C6 | H25 | 156.9° | 145.3° |
| C15 | C5 | N1 | H27 | 53.6° | 25.1° |
| N1 | C4 | O5 | C3 | 178.8° | 180.0° |
| N1 | C4 | C3 | N2 | 9.3° | 0.0° |
| N1 | C4 | C3 | C2 | 170.6° | 180.0° |
| C4 | N1 | C5 | H23 | 1.6° | 31.6° |
| N3 | C26 | C27 | H17 | 119.0° | 118.9° |
| N3 | C26 | C27 | H18 | 119.0° | 118.9° |
| C26 | N3 | C17 | C16 | 98.6° | 118.3° |
| C26 | N3 | C17 | C28 | 22.3° | 1.1° |
| N3 | C26 | C27 | C28 | 31.7° | 37.1° |
| C26 | N3 | C17 | H10 | 138.0° | 120.6° |
| N3 | C26 | H17 | H18 | 122.9° | 122.3° |
| N3 | C26 | C27 | H19 | 150.5° | 81.1° |
| N3 | C26 | C27 | H20 | 87.1° | 155.1° |
| C17 | N3 | C26 | C27 | 5.7° | 24.2° |
| N3 | C17 | C16 | N2 | 11.2° | 5.2° |
| N3 | C17 | C16 | C28 | 112.7° | 117.8° |
| N3 | C17 | C16 | H10 | 123.7° | 121.2° |
| N3 | C17 | C28 | H10 | 116.4° | 119.5° |
| N3 | C17 | C16 | N4 | 169.9° | 174.3° |
| N3 | C17 | C28 | C27 | 41.1° | 22.2° |
| C17 | N3 | C26 | H17 | 113.3° | 94.7° |
| C17 | N3 | C26 | H18 | 124.7° | 143.1° |
| N3 | C17 | C28 | H21 | 159.8° | 96.3° |
| N3 | C17 | C28 | H22 | 77.6° | 140.5° |
| O5 | C4 | C3 | N2 | 171.8° | 180.0° |
| O5 | C4 | C3 | C2 | 8.3° | 0.0° |
| O5 | C4 | N1 | H27 | 174.3° | 179.9° |
| C4 | C3 | N2 | C2 | 179.8° | 180.0° |
| C4 | C3 | N2 | C16 | 179.8° | 180.0° |
| C4 | C3 | C2 | O2 | 0.3° | 0.1° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| C3 | C4 | N1 | H27 | 6.8° | 0.0° |
| C26 | C27 | C28 | C17 | 45.8° | 35.5° |
| C26 | C27 | C28 | H19 | 118.8° | 118.1° |
| C26 | C27 | C28 | H20 | 118.8° | 118.1° |
| C27 | C26 | H17 | H18 | 122.9° | 122.3° |
| C26 | C27 | H19 | H20 | 123.5° | 123.9° |
| C26 | C27 | C28 | H21 | 164.5° | 82.9° |
| C26 | C27 | C28 | H22 | 72.9° | 153.9° |
| C3 | N2 | C16 | C17 | 179.6° | 179.8° |
| C3 | N2 | C16 | N4 | 0.7° | 0.3° |
| N2 | C3 | C2 | O2 | 179.5° | 180.0° |
| N2 | C3 | C2 | C1 | 0.2° | 0.0° |
| C16 | N2 | C3 | C2 | 0.3° | 0.0° |
| N2 | C16 | C17 | N4 | 178.9° | 179.5° |
| N2 | C16 | C17 | C28 | 101.5° | 123.0° |
| N2 | C16 | N4 | C1 | 0.5° | 0.5° |
| N2 | C16 | C17 | H10 | 134.9° | 116.0° |
| N2 | C16 | N4 | H28 | 179.5° | 180.0° |
| C3 | C2 | O2 | C1 | 179.4° | 180.0° |
| C3 | C2 | C1 | N4 | 0.3° | 0.3° |
| C3 | C2 | C1 | O1 | 179.9° | 180.0° |
| C3 | C2 | O2 | H29 | 3.6° | 180.0° |
| C16 | C17 | C28 | H10 | 123.8° | 121.0° |
| C16 | C17 | C28 | C27 | 78.7° | 141.6° |
| C17 | C16 | N4 | C1 | 179.4° | 180.0° |
| C16 | C17 | C28 | H21 | 40.0° | 23.2° |
| C16 | C17 | C28 | H22 | 162.6° | 100.0° |
| C17 | C16 | N4 | H28 | 0.6° | 0.5° |
| C28 | C17 | C16 | N4 | 77.4° | 56.5° |
| C17 | C28 | C27 | H21 | 118.7° | 118.4° |
| C17 | C28 | C27 | H22 | 118.7° | 118.3° |
| C17 | C28 | C27 | H19 | 164.6° | 82.6° |
| C17 | C28 | C27 | H20 | 73.0° | 153.6° |
| C17 | C28 | H21 | H22 | 123.7° | 123.2° |
| C16 | N4 | C1 | C2 | 0.0° | 0.5° |
| C16 | N4 | C1 | H28 | 180.0° | 179.5° |
| C16 | N4 | C1 | O1 | 179.8° | 179.7° |
| N4 | C16 | C17 | H10 | 46.1° | 64.5° |
| O2 | C2 | C1 | N4 | 179.7° | 179.8° |
| O2 | C2 | C1 | O1 | 0.5° | 0.0° |
| C2 | C1 | N4 | O1 | 179.8° | 179.8° |
| C2 | C1 | N4 | H28 | 180.0° | 180.0° |
| C1 | C2 | O2 | H29 | 177.1° | 0.0° |
| C27 | C28 | C17 | H10 | 157.5° | 97.4° |
| C28 | C27 | C26 | H17 | 87.3° | 81.8° |
| C28 | C27 | C26 | H18 | 150.7° | 156.0° |
| C28 | C27 | H19 | H20 | 123.5° | 123.9° |
| C27 | C28 | H21 | H22 | 123.7° | 123.3° |
| O1 | C1 | N4 | H28 | 0.2° | 0.2° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H4 | C12 | H5 | H6 | 120.0° | 120.0° |
| H8 | C15 | C5 | H23 | 84.9° | 149.1° |
| H9 | C15 | C5 | H23 | 37.7° | 26.9° |
| H10 | C17 | C28 | H21 | 83.8° | 144.2° |
| H10 | C17 | C28 | H22 | 38.8° | 21.0° |
| H13 | C21 | C22 | H14 | 0.1° | 0.0° |
| H14 | C22 | C23 | H15 | 0.1° | 0.0° |
| H15 | C23 | C24 | H16 | 0.2° | 0.3° |
| H17 | C26 | C27 | H19 | 31.5° | 160.1° |
| H17 | C26 | C27 | H20 | 153.9° | 36.3° |
| H18 | C26 | C27 | H19 | 90.5° | 37.9° |
| H18 | C26 | C27 | H20 | 31.9° | 86.0° |
| H19 | C27 | C28 | H21 | 76.7° | 159.0° |
| H19 | C27 | C28 | H22 | 45.9° | 35.7° |
| H20 | C27 | C28 | H21 | 45.7° | 35.2° |
| H20 | C27 | C28 | H22 | 168.3° | 88.1° |
| H23 | C5 | C6 | H24 | 38.0° | 149.1° |
| H23 | C5 | C6 | H25 | 84.6° | 26.9° |
| H23 | C5 | N1 | H27 | 178.4° | 148.5° |
