A1JSW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O1 | sing | 1.45Å | 1.45Å | |
| O1 | C8 | sing | 1.35Å | 1.35Å | |
| C8 | N1 | sing | 1.35Å | 1.34Å | |
| C8 | O2 | doub | 1.22Å | 1.22Å | |
| N1 | C9 | sing | 1.46Å | 1.45Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C10 | O3 | doub | 1.21Å | 1.24Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C15 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.55Å | 1.53Å | |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| C20 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C21 | sing | 1.34Å | 1.33Å | |
| C18 | C21 | sing | 1.51Å | 1.53Å | |
| C16 | O4 | sing | 1.43Å | 1.42Å | |
| C16 | C22 | sing | 1.51Å | 1.49Å | |
| C22 | N4 | doub | 1.29Å | 1.30Å | Aromatic |
| N4 | C23 | sing | 1.33Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.33Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C22 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
| C23 | C25 | sing | 1.48Å | 1.41Å | |
| C25 | C26 | doub | 1.33Å | 1.32Å | |
| C25 | O5 | sing | 1.36Å | 1.36Å | |
| O5 | C27 | sing | 1.43Å | 1.43Å | |
| C21 | O6 | doub | 1.21Å | 1.27Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H29 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| O4 | H30 | sing | 0.97Å | 0.95Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C2 | C1 | C6 | 120.5° | 120.0° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C1 | C2 | H2 | 120.2° | 120.1° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C3 | C2 | H2 | 120.2° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | 121.1° | 120.0° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C4 | C5 | C6 | 118.2° | 120.0° |
| C4 | C5 | C7 | 119.1° | 120.0° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C5 | C6 | C1 | 120.6° | 120.0° |
| C6 | C5 | C7 | 122.6° | 120.0° |
| C5 | C6 | H5 | 119.7° | 120.0° |
| C1 | C6 | H5 | 119.7° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C5 | C7 | O1 | 116.7° | 109.5° |
| C5 | C7 | H6 | 107.6° | 109.5° |
| C5 | C7 | H7 | 107.6° | 109.4° |
| C7 | O1 | C8 | 115.8° | 117.0° |
| O1 | C7 | H6 | 107.6° | 109.5° |
| O1 | C7 | H7 | 107.6° | 109.5° |
| O1 | C8 | N1 | 111.2° | 120.0° |
| O1 | C8 | O2 | 123.6° | 120.0° |
| N1 | C8 | O2 | 125.0° | 120.0° |
| C8 | N1 | C9 | 121.9° | 120.0° |
| C8 | N1 | H8 | 119.1° | 119.9° |
| N1 | C9 | C10 | 111.3° | 109.5° |
| N1 | C9 | C11 | 111.6° | 109.4° |
| C9 | N1 | H8 | 119.0° | 120.0° |
| N1 | C9 | H9 | 108.3° | 109.5° |
| C10 | C9 | C11 | 110.8° | 109.5° |
| C9 | C10 | O3 | 121.2° | 120.0° |
| C9 | C10 | N2 | 117.0° | 120.0° |
| C10 | C9 | H9 | 107.3° | 109.5° |
| C9 | C11 | C12 | 115.5° | 109.5° |
| C11 | C9 | H9 | 107.3° | 109.5° |
| C9 | C11 | H10 | 108.0° | 109.5° |
| C9 | C11 | H11 | 107.9° | 109.4° |
| C11 | C12 | C13 | 110.6° | 109.5° |
| C11 | C12 | C14 | 112.4° | 109.5° |
| C12 | C11 | H10 | 107.9° | 109.5° |
| C12 | C11 | H11 | 108.0° | 109.5° |
| C11 | C12 | H12 | 107.6° | 109.5° |
| C13 | C12 | C14 | 110.6° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H14 | 109.5° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C13 | C12 | H12 | 107.7° | 109.5° |
| C14 | C12 | H12 | 107.8° | 109.4° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C14 | H17 | 109.5° | 109.5° |
| C12 | C14 | H18 | 109.5° | 109.4° |
| O3 | C10 | N2 | 121.8° | 120.0° |
| C10 | N2 | C15 | 123.0° | 120.0° |
| C10 | N2 | H19 | 118.5° | 120.0° |
| N2 | C15 | C16 | 110.7° | 109.4° |
| N2 | C15 | C17 | 111.6° | 109.5° |
| N2 | C15 | H20 | 108.2° | 109.4° |
| C15 | N2 | H19 | 118.5° | 120.0° |
| C16 | C15 | C17 | 111.8° | 109.5° |
| C15 | C16 | O4 | 110.2° | 109.5° |
| C15 | C16 | C22 | 109.4° | 109.4° |
| C16 | C15 | H20 | 107.2° | 109.5° |
| C15 | C16 | H21 | 110.5° | 109.5° |
| C15 | C17 | C18 | 114.2° | 109.5° |
| C17 | C15 | H20 | 107.2° | 109.5° |
| C15 | C17 | H22 | 108.3° | 109.5° |
| C15 | C17 | H23 | 108.3° | 109.5° |
| C17 | C18 | C19 | 118.5° | 110.5° |
| C17 | C18 | C21 | 113.1° | 110.2° |
| C18 | C17 | H22 | 108.3° | 109.4° |
| C18 | C17 | H23 | 108.3° | 109.4° |
| C17 | C18 | H24 | 106.9° | 110.4° |
| C18 | C19 | C20 | 104.0° | 101.6° |
| C19 | C18 | C21 | 103.9° | 104.2° |
| C19 | C18 | H24 | 106.9° | 110.5° |
| C18 | C19 | H25 | 110.8° | 111.0° |
| C18 | C19 | H26 | 110.8° | 110.9° |
| C19 | C20 | N3 | 101.8° | 105.5° |
| C19 | C20 | H27 | 111.4° | 110.3° |
| C19 | C20 | H28 | 111.4° | 110.3° |
| C20 | C19 | H25 | 110.8° | 111.0° |
| C20 | C19 | H26 | 110.8° | 111.0° |
| C20 | N3 | C21 | 113.2° | 111.3° |
| C20 | N3 | H29 | 123.4° | 124.3° |
| N3 | C20 | H27 | 111.4° | 110.3° |
| N3 | C20 | H28 | 111.4° | 110.3° |
| N3 | C21 | C18 | 107.8° | 110.1° |
| N3 | C21 | O6 | 127.1° | 124.9° |
| C21 | N3 | H29 | 123.4° | 124.4° |
| C18 | C21 | O6 | 125.0° | 125.0° |
| C21 | C18 | H24 | 106.9° | 110.9° |
| O4 | C16 | C22 | 102.6° | 109.4° |
| O4 | C16 | H21 | 112.4° | 109.5° |
| C16 | O4 | H30 | 109.5° | 114.0° |
| C16 | C22 | N4 | 127.9° | 124.8° |
| C16 | C22 | S1 | 120.5° | 124.7° |
| C22 | C16 | H21 | 111.4° | 109.4° |
| C22 | N4 | C23 | 113.4° | 117.2° |
| N4 | C22 | S1 | 111.6° | 110.5° |
| N4 | C23 | C24 | 115.1° | 114.0° |
| N4 | C23 | C25 | 120.8° | 123.0° |
| C23 | C24 | S1 | 109.4° | 107.9° |
| C24 | C23 | C25 | 124.1° | 123.0° |
| C23 | C24 | H31 | 125.3° | 126.1° |
| C24 | S1 | C22 | 90.4° | 90.5° |
| S1 | C24 | H31 | 125.3° | 126.0° |
| C23 | C25 | C26 | 123.3° | 120.0° |
| C23 | C25 | O5 | 116.4° | 120.0° |
| C26 | C25 | O5 | 120.2° | 120.0° |
| C25 | C26 | H32 | 120.0° | 120.0° |
| C25 | C26 | H33 | 120.0° | 120.0° |
| C25 | O5 | C27 | 120.7° | 117.0° |
| O5 | C27 | H34 | 109.5° | 109.5° |
| O5 | C27 | H35 | 109.5° | 109.5° |
| O5 | C27 | H36 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.4° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 110.2° |
| H32 | C26 | H33 | 120.0° | 120.0° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.6° |
| H16 | C14 | H18 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.4° | 109.5° |
| H25 | C19 | H26 | 109.5° | 110.9° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H34 | C27 | H36 | 109.4° | 109.5° |
| H35 | C27 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.4° | 0.5° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | H5 | 179.7° | 180.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.8° | 0.6° |
| C3 | C2 | C1 | C6 | 0.6° | 0.2° |
| C2 | C3 | C4 | H4 | 179.2° | 179.7° |
| C3 | C2 | C1 | H1 | 179.4° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.6° | 0.2° |
| C3 | C4 | C5 | C7 | 178.6° | 179.7° |
| C4 | C3 | C2 | H2 | 179.6° | 179.7° |
| C4 | C5 | C6 | C7 | 176.9° | 180.0° |
| C4 | C5 | C6 | C1 | 1.4° | 0.1° |
| C4 | C5 | C7 | O1 | 169.6° | 90.0° |
| C4 | C5 | C6 | H5 | 178.6° | 180.0° |
| C4 | C5 | C7 | H6 | 48.5° | 150.0° |
| C4 | C5 | C7 | H7 | 69.4° | 30.0° |
| C5 | C4 | C3 | H3 | 179.3° | 180.0° |
| C5 | C6 | C1 | H5 | 180.0° | 179.9° |
| C6 | C5 | C7 | O1 | 13.5° | 90.0° |
| C6 | C5 | C4 | H4 | 178.4° | 180.0° |
| C6 | C5 | C7 | H6 | 134.6° | 30.1° |
| C6 | C5 | C7 | H7 | 107.5° | 150.0° |
| C5 | C6 | C1 | H1 | 179.7° | 179.7° |
| C1 | C6 | C5 | C7 | 178.2° | 180.0° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C5 | C7 | O1 | H6 | 121.0° | 120.0° |
| C5 | C7 | O1 | H7 | 121.0° | 120.0° |
| C5 | C7 | O1 | C8 | 85.4° | 180.0° |
| C7 | C5 | C4 | H4 | 1.4° | 0.0° |
| C7 | C5 | C6 | H5 | 1.7° | 0.1° |
| C5 | C7 | H6 | H7 | 116.7° | 119.9° |
| C7 | O1 | C8 | N1 | 176.8° | 180.0° |
| C7 | O1 | C8 | O2 | 1.7° | 0.0° |
| O1 | C7 | H6 | H7 | 116.7° | 120.0° |
| O1 | C8 | N1 | O2 | 175.0° | 180.0° |
| O1 | C8 | N1 | C9 | 167.5° | 180.0° |
| O1 | C8 | N1 | H8 | 12.5° | 0.3° |
| C8 | O1 | C7 | H6 | 35.6° | 60.0° |
| C8 | O1 | C7 | H7 | 153.6° | 60.0° |
| C8 | N1 | C9 | H8 | 180.0° | 179.7° |
| C8 | N1 | C9 | C10 | 61.3° | 155.3° |
| C8 | N1 | C9 | C11 | 174.4° | 84.7° |
| C8 | N1 | C9 | H9 | 56.4° | 35.3° |
| O2 | C8 | N1 | C9 | 7.5° | 0.0° |
| O2 | C8 | N1 | H8 | 172.5° | 179.7° |
| N1 | C9 | C10 | C11 | 124.8° | 120.0° |
| N1 | C9 | C10 | H9 | 118.3° | 120.0° |
| N1 | C9 | C11 | H9 | 118.5° | 120.0° |
| N1 | C9 | C11 | C12 | 57.3° | 65.0° |
| N1 | C9 | C10 | O3 | 40.2° | 0.0° |
| N1 | C9 | C10 | N2 | 138.9° | 180.0° |
| N1 | C9 | C11 | H10 | 63.6° | 55.0° |
| N1 | C9 | C11 | H11 | 178.2° | 175.0° |
| C10 | C9 | C11 | H9 | 116.8° | 120.0° |
| C10 | C9 | C11 | C12 | 178.1° | 175.0° |
| C9 | C10 | O3 | N2 | 179.1° | 180.0° |
| C9 | C10 | N2 | C15 | 174.7° | 174.9° |
| C10 | C9 | N1 | H8 | 118.7° | 25.0° |
| C10 | C9 | C11 | H10 | 61.1° | 65.0° |
| C10 | C9 | C11 | H11 | 57.2° | 55.0° |
| C9 | C10 | N2 | H19 | 5.3° | 5.2° |
| C9 | C11 | C12 | H10 | 120.9° | 120.1° |
| C9 | C11 | C12 | H11 | 120.9° | 120.0° |
| C9 | C11 | C12 | C13 | 175.6° | 65.0° |
| C9 | C11 | C12 | C14 | 60.3° | 175.0° |
| C11 | C9 | C10 | O3 | 84.6° | 120.0° |
| C11 | C9 | C10 | N2 | 96.3° | 60.0° |
| C11 | C9 | N1 | H8 | 5.7° | 95.0° |
| C9 | C11 | H10 | H11 | 117.3° | 120.0° |
| C9 | C11 | C12 | H12 | 58.3° | 55.1° |
| C11 | C12 | C13 | C14 | 125.1° | 120.0° |
| C11 | C12 | C13 | H12 | 117.3° | 120.1° |
| C11 | C12 | C14 | H12 | 118.4° | 120.0° |
| C11 | C12 | C13 | H13 | 180.0° | 60.0° |
| C11 | C12 | C13 | H14 | 60.0° | 60.0° |
| C11 | C12 | C13 | H15 | 60.0° | 180.0° |
| C12 | C11 | C9 | H9 | 61.2° | 55.0° |
| C12 | C11 | H10 | H11 | 117.3° | 120.0° |
| C11 | C12 | C14 | H16 | 180.0° | 60.0° |
| C11 | C12 | C14 | H17 | 60.0° | 179.9° |
| C11 | C12 | C14 | H18 | 60.0° | 60.0° |
| C13 | C12 | C14 | H12 | 117.4° | 120.0° |
| C12 | C13 | H13 | H14 | 120.0° | 120.0° |
| C12 | C13 | H13 | H15 | 120.0° | 120.0° |
| C12 | C13 | H14 | H15 | 120.0° | 120.0° |
| C13 | C12 | C11 | H10 | 54.8° | 175.0° |
| C13 | C12 | C11 | H11 | 63.5° | 55.0° |
| C13 | C12 | C14 | H16 | 55.8° | 60.0° |
| C13 | C12 | C14 | H17 | 64.2° | 60.1° |
| C13 | C12 | C14 | H18 | 175.9° | 180.0° |
| C14 | C12 | C13 | H13 | 54.9° | 60.0° |
| C14 | C12 | C13 | H14 | 174.9° | 180.0° |
| C14 | C12 | C13 | H15 | 65.2° | 60.0° |
| C14 | C12 | C11 | H10 | 178.9° | 55.0° |
| C14 | C12 | C11 | H11 | 60.6° | 65.0° |
| C12 | C14 | H16 | H17 | 120.0° | 120.0° |
| C12 | C14 | H16 | H18 | 120.0° | 119.9° |
| C12 | C14 | H17 | H18 | 120.0° | 119.9° |
| O3 | C10 | N2 | C15 | 4.5° | 5.1° |
| O3 | C10 | C9 | H9 | 158.5° | 119.9° |
| O3 | C10 | N2 | H19 | 175.6° | 174.8° |
| C10 | N2 | C15 | H19 | 180.0° | 179.9° |
| C10 | N2 | C15 | C16 | 123.0° | 123.3° |
| C10 | N2 | C15 | C17 | 111.8° | 116.7° |
| C10 | N2 | C15 | H20 | 5.8° | 3.4° |
| N2 | C10 | C9 | H9 | 20.6° | 60.0° |
| N2 | C15 | C16 | C17 | 125.1° | 120.0° |
| N2 | C15 | C16 | H20 | 117.8° | 119.9° |
| N2 | C15 | C17 | H20 | 118.3° | 120.0° |
| N2 | C15 | C17 | C18 | 64.4° | 64.2° |
| N2 | C15 | C16 | O4 | 173.6° | 65.1° |
| N2 | C15 | C16 | C22 | 74.2° | 175.0° |
| N2 | C15 | C17 | H22 | 56.3° | 55.7° |
| N2 | C15 | C17 | H23 | 174.9° | 175.8° |
| N2 | C15 | C16 | H21 | 48.8° | 55.0° |
| C16 | C15 | C17 | H20 | 117.2° | 120.1° |
| C16 | C15 | C17 | C18 | 171.1° | 175.8° |
| C15 | C16 | O4 | C22 | 116.5° | 120.0° |
| C15 | C16 | O4 | H21 | 123.8° | 120.1° |
| C15 | C16 | C22 | H21 | 122.5° | 120.1° |
| C15 | C16 | C22 | N4 | 45.7° | 105.0° |
| C15 | C16 | C22 | S1 | 135.4° | 74.6° |
| C16 | C15 | C17 | H22 | 68.3° | 64.2° |
| C16 | C15 | C17 | H23 | 50.4° | 55.9° |
| C16 | C15 | N2 | H19 | 57.0° | 56.8° |
| C15 | C16 | O4 | H30 | 180.0° | 59.9° |
| C15 | C17 | C18 | H22 | 120.7° | 120.0° |
| C15 | C17 | C18 | H23 | 120.7° | 120.0° |
| C15 | C17 | C18 | C19 | 59.7° | 164.6° |
| C15 | C17 | C18 | C21 | 178.4° | 80.9° |
| C17 | C15 | C16 | O4 | 48.5° | 54.9° |
| C17 | C15 | C16 | C22 | 160.7° | 65.0° |
| C15 | C17 | H22 | H23 | 117.8° | 120.1° |
| C17 | C15 | N2 | H19 | 68.1° | 63.2° |
| C17 | C15 | C16 | H21 | 76.3° | 175.0° |
| C15 | C17 | C18 | H24 | 61.0° | 42.0° |
| C17 | C18 | C19 | C21 | 126.5° | 118.4° |
| C17 | C18 | C19 | H24 | 120.7° | 122.5° |
| C17 | C18 | C19 | C20 | 146.1° | 143.5° |
| C17 | C18 | C21 | N3 | 132.3° | 135.2° |
| C17 | C18 | C21 | H24 | 117.4° | 122.6° |
| C17 | C18 | C21 | O6 | 50.0° | 44.7° |
| C18 | C17 | C15 | H20 | 53.9° | 55.8° |
| C18 | C17 | H22 | H23 | 117.9° | 119.9° |
| C17 | C18 | C19 | H25 | 26.9° | 98.4° |
| C17 | C18 | C19 | H26 | 94.8° | 25.4° |
| C18 | C19 | C20 | H25 | 119.2° | 118.1° |
| C18 | C19 | C20 | H26 | 119.1° | 118.0° |
| C18 | C19 | C20 | N3 | 28.6° | 25.6° |
| C19 | C18 | C21 | N3 | 2.5° | 16.6° |
| C19 | C18 | C21 | H24 | 112.9° | 118.9° |
| C19 | C18 | C21 | O6 | 179.8° | 163.3° |
| C19 | C18 | C17 | H22 | 179.6° | 75.4° |
| C19 | C18 | C17 | H23 | 61.0° | 44.6° |
| C18 | C19 | C20 | H27 | 147.4° | 93.4° |
| C18 | C19 | C20 | H28 | 90.1° | 144.7° |
| C18 | C19 | H25 | H26 | 122.5° | 123.8° |
| C19 | C20 | N3 | H27 | 118.8° | 119.1° |
| C19 | C20 | N3 | H28 | 118.7° | 119.1° |
| C19 | C20 | N3 | C21 | 29.8° | 17.0° |
| C20 | C19 | C18 | C21 | 19.6° | 25.1° |
| C19 | C20 | N3 | H29 | 150.2° | 162.7° |
| C19 | C20 | H27 | H28 | 123.6° | 122.0° |
| C20 | C19 | C18 | H24 | 93.2° | 94.0° |
| C20 | C19 | H25 | H26 | 122.5° | 123.9° |
| C20 | N3 | C21 | H29 | 180.0° | 179.7° |
| C20 | N3 | C21 | C18 | 17.6° | 0.2° |
| C20 | N3 | C21 | O6 | 160.0° | 180.0° |
| N3 | C20 | H27 | H28 | 123.6° | 121.9° |
| N3 | C20 | C19 | H25 | 90.5° | 143.7° |
| N3 | C20 | C19 | H26 | 147.8° | 92.4° |
| N3 | C21 | C18 | O6 | 177.7° | 179.9° |
| C21 | N3 | C20 | H27 | 148.6° | 102.0° |
| C21 | N3 | C20 | H28 | 89.0° | 136.1° |
| N3 | C21 | C18 | H24 | 110.4° | 102.3° |
| C18 | C21 | N3 | H29 | 162.4° | 179.5° |
| C21 | C18 | C17 | H22 | 57.7° | 39.1° |
| C21 | C18 | C17 | H23 | 61.0° | 159.2° |
| C21 | C18 | C19 | H25 | 99.5° | 143.2° |
| C21 | C18 | C19 | H26 | 138.7° | 93.0° |
| O4 | C16 | C22 | H21 | 120.4° | 120.0° |
| O4 | C16 | C22 | N4 | 162.8° | 135.0° |
| O4 | C16 | C22 | S1 | 18.3° | 45.3° |
| O4 | C16 | C15 | H20 | 68.6° | 175.0° |
| C16 | C22 | N4 | S1 | 179.0° | 179.7° |
| C16 | C22 | N4 | C23 | 175.7° | 179.7° |
| C16 | C22 | S1 | C24 | 177.3° | 179.7° |
| C22 | C16 | C15 | H20 | 43.6° | 55.1° |
| C22 | C16 | O4 | H30 | 63.5° | 60.0° |
| C22 | N4 | C23 | C24 | 3.6° | 0.0° |
| N4 | C22 | S1 | C24 | 1.8° | 0.0° |
| C22 | N4 | C23 | C25 | 177.8° | 180.0° |
| N4 | C22 | C16 | H21 | 76.8° | 15.0° |
| N4 | C23 | C24 | C25 | 178.6° | 180.0° |
| N4 | C23 | C24 | S1 | 2.1° | 0.0° |
| C23 | N4 | C22 | S1 | 3.3° | 0.0° |
| N4 | C23 | C25 | C26 | 19.0° | 0.0° |
| N4 | C23 | C25 | O5 | 164.7° | 180.0° |
| N4 | C23 | C24 | H31 | 177.9° | 180.0° |
| C23 | C24 | S1 | H31 | 180.0° | 180.0° |
| C23 | C24 | S1 | C22 | 0.2° | 0.0° |
| C24 | C23 | C25 | C26 | 162.5° | 180.0° |
| C24 | C23 | C25 | O5 | 13.8° | 0.1° |
| S1 | C24 | C23 | C25 | 179.3° | 180.0° |
| C22 | S1 | C24 | H31 | 179.8° | 180.0° |
| S1 | C22 | C16 | H21 | 102.1° | 165.3° |
| C23 | C25 | C26 | O5 | 176.2° | 180.0° |
| C23 | C25 | O5 | C27 | 179.7° | 180.0° |
| C25 | C23 | C24 | H31 | 0.7° | 0.1° |
| C23 | C25 | C26 | H32 | 176.2° | 180.0° |
| C23 | C25 | C26 | H33 | 3.8° | 0.0° |
| C26 | C25 | O5 | C27 | 3.9° | 0.1° |
| C25 | C26 | H32 | H33 | 180.0° | 180.0° |
| O5 | C25 | C26 | H32 | 0.0° | 0.0° |
| O5 | C25 | C26 | H33 | 180.0° | 179.9° |
| C25 | O5 | C27 | H34 | 180.0° | 60.0° |
| C25 | O5 | C27 | H35 | 60.0° | 180.0° |
| C25 | O5 | C27 | H36 | 60.0° | 60.1° |
| O5 | C27 | H34 | H35 | 120.0° | 120.0° |
| O5 | C27 | H34 | H36 | 120.0° | 120.0° |
| O5 | C27 | H35 | H36 | 120.0° | 120.0° |
| O6 | C21 | N3 | H29 | 20.0° | 0.3° |
| O6 | C21 | C18 | H24 | 67.3° | 77.9° |
| H8 | N1 | C9 | H9 | 123.6° | 145.0° |
| H29 | N3 | C20 | H27 | 31.5° | 78.2° |
| H29 | N3 | C20 | H28 | 91.0° | 43.6° |
| H4 | C4 | C3 | H3 | 0.7° | 0.2° |
| H5 | C6 | C1 | H1 | 0.3° | 0.2° |
| H13 | C13 | H14 | H15 | 120.0° | 120.0° |
| H13 | C13 | C12 | H12 | 62.6° | 179.9° |
| H14 | C13 | C12 | H12 | 57.4° | 60.1° |
| H15 | C13 | C12 | H12 | 177.3° | 60.0° |
| H20 | C15 | C17 | H22 | 174.6° | 175.7° |
| H20 | C15 | C17 | H23 | 66.8° | 64.2° |
| H20 | C15 | N2 | H19 | 174.2° | 176.7° |
| H20 | C15 | C16 | H21 | 166.6° | 64.9° |
| H22 | C17 | C18 | H24 | 59.7° | 162.0° |
| H23 | C17 | C18 | H24 | 178.3° | 78.0° |
| H27 | C20 | C19 | H25 | 28.2° | 24.6° |
| H27 | C20 | C19 | H26 | 93.5° | 148.5° |
| H28 | C20 | C19 | H25 | 150.7° | 97.2° |
| H28 | C20 | C19 | H26 | 29.0° | 26.7° |
| H1 | C1 | C2 | H2 | 0.6° | 0.3° |
| H2 | C2 | C3 | H3 | 0.4° | 0.2° |
| H9 | C9 | C11 | H10 | 177.9° | 175.0° |
| H9 | C9 | C11 | H11 | 59.6° | 65.0° |
| H10 | C11 | C12 | H12 | 62.6° | 65.0° |
| H11 | C11 | C12 | H12 | 179.1° | 175.1° |
| H12 | C12 | C14 | H16 | 61.6° | 180.0° |
| H12 | C12 | C14 | H17 | 178.4° | 60.0° |
| H12 | C12 | C14 | H18 | 58.4° | 60.0° |
| H16 | C14 | H17 | H18 | 120.0° | 120.0° |
| H21 | C16 | O4 | H30 | 56.3° | 180.0° |
| H24 | C18 | C19 | H25 | 147.6° | 24.1° |
| H24 | C18 | C19 | H26 | 25.9° | 147.9° |
| H34 | C27 | H35 | H36 | 120.0° | 120.0° |
