A1AGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.58Å | 1.53Å | |
| C27 | C23 | sing | 1.57Å | 1.53Å | |
| C26 | C25 | sing | 1.54Å | 1.50Å | |
| C26 | C21 | sing | 1.56Å | 1.56Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | C22 | sing | 1.56Å | 1.55Å | |
| C25 | C24 | doub | 1.32Å | 1.32Å | |
| C21 | C22 | sing | 1.55Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C20 | N4 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C19 | N4 | sing | 1.47Å | 1.47Å | |
| C19 | C3 | sing | 1.54Å | 1.53Å | |
| N1 | C6 | sing | 1.46Å | 1.45Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| N4 | C1 | sing | 1.34Å | 1.36Å | |
| C6 | C11 | sing | 1.51Å | 1.53Å | |
| O2 | C5 | sing | 1.35Å | 1.35Å | |
| O2 | C4 | sing | 1.45Å | 1.44Å | |
| C5 | O6 | doub | 1.21Å | 1.21Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C11 | O5 | doub | 1.21Å | 1.23Å | |
| C11 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | O4 | sing | 1.43Å | 1.41Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C17 | sing | 1.55Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.54Å | 1.52Å | |
| C15 | O3 | doub | 1.21Å | 1.23Å | |
| C15 | N3 | sing | 1.34Å | 1.33Å | |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | S1 | sing | 1.81Å | 1.07Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C13 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| N1 | H42 | sing | 0.97Å | 1.00Å | |
| N2 | H43 | sing | 0.97Å | 1.00Å | |
| N3 | H44 | sing | 0.97Å | 1.00Å | |
| S1 | O8 | doub | 1.42Å | 20.69Å | |
| S1 | O7 | doub | 1.42Å | 20.69Å | |
| S1 | O9 | sing | 1.52Å | 20.69Å | |
| O9 | H2 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C23 | 93.3° | 93.3° |
| C27 | C26 | C25 | 100.5° | 99.5° |
| C27 | C26 | C21 | 99.6° | 100.4° |
| C27 | C26 | H33 | 115.8° | 117.4° |
| C26 | C27 | H38 | 113.4° | 112.5° |
| C26 | C27 | H39 | 113.4° | 112.5° |
| C27 | C23 | C24 | 99.8° | 99.8° |
| C27 | C23 | C22 | 100.7° | 100.4° |
| C27 | C23 | H28 | 115.8° | 117.3° |
| C23 | C27 | H38 | 113.3° | 112.6° |
| C23 | C27 | H39 | 113.4° | 112.4° |
| C25 | C26 | C21 | 107.1° | 104.2° |
| C26 | C25 | C24 | 107.5° | 108.5° |
| C26 | C25 | H31 | 126.2° | 125.7° |
| C25 | C26 | H33 | 116.4° | 116.3° |
| C26 | C21 | C22 | 102.8° | 103.7° |
| C26 | C21 | C20 | 114.8° | 110.6° |
| C26 | C21 | H27 | 108.5° | 110.8° |
| C21 | C26 | H33 | 115.3° | 116.4° |
| C9 | C8 | C10 | 110.6° | 109.5° |
| C9 | C8 | C7 | 110.5° | 109.5° |
| C9 | C8 | H17 | 108.0° | 109.5° |
| C8 | C9 | H18 | 109.5° | 109.5° |
| C8 | C9 | H19 | 109.5° | 109.4° |
| C8 | C9 | H20 | 109.5° | 109.5° |
| C24 | C23 | C22 | 106.2° | 104.1° |
| C23 | C24 | C25 | 107.6° | 108.4° |
| C24 | C23 | H28 | 116.5° | 116.4° |
| C23 | C24 | H29 | 126.2° | 125.8° |
| C23 | C22 | C21 | 102.9° | 103.8° |
| C23 | C22 | H12 | 111.1° | 110.6° |
| C23 | C22 | H13 | 111.1° | 110.6° |
| C22 | C23 | H28 | 115.5° | 116.3° |
| C25 | C24 | H29 | 126.2° | 125.8° |
| C24 | C25 | H31 | 126.2° | 125.8° |
| C22 | C21 | C20 | 112.9° | 110.6° |
| C21 | C22 | H12 | 111.1° | 110.6° |
| C21 | C22 | H13 | 111.1° | 110.6° |
| C22 | C21 | H27 | 108.8° | 110.5° |
| C21 | C20 | N4 | 110.7° | 109.5° |
| C20 | C21 | H27 | 108.9° | 110.5° |
| C21 | C20 | H36 | 109.2° | 109.4° |
| C21 | C20 | H37 | 109.2° | 109.5° |
| C10 | C8 | C7 | 111.8° | 109.4° |
| C8 | C10 | H7 | 109.5° | 109.5° |
| C8 | C10 | H8 | 109.5° | 109.5° |
| C8 | C10 | H9 | 109.4° | 109.4° |
| C10 | C8 | H17 | 108.0° | 109.5° |
| C8 | C7 | C6 | 115.3° | 109.4° |
| C8 | C7 | H15 | 108.0° | 109.5° |
| C8 | C7 | H16 | 108.0° | 109.5° |
| C7 | C8 | H17 | 107.9° | 109.5° |
| C20 | N4 | C19 | 122.6° | 124.4° |
| C20 | N4 | C1 | 125.2° | 124.3° |
| N4 | C20 | H36 | 109.1° | 109.5° |
| N4 | C20 | H37 | 109.1° | 109.5° |
| C7 | C6 | N1 | 111.5° | 109.5° |
| C7 | C6 | C11 | 110.9° | 109.4° |
| C7 | C6 | H14 | 107.6° | 109.5° |
| C6 | C7 | H15 | 108.0° | 109.5° |
| C6 | C7 | H16 | 108.0° | 109.4° |
| N4 | C19 | C3 | 99.8° | 105.5° |
| C19 | N4 | C1 | 112.2° | 111.3° |
| N4 | C19 | H10 | 111.8° | 110.3° |
| N4 | C19 | H11 | 111.8° | 110.3° |
| C19 | C3 | C4 | 117.4° | 111.0° |
| C19 | C3 | C2 | 102.3° | 101.8° |
| C3 | C19 | H10 | 111.9° | 110.3° |
| C3 | C19 | H11 | 111.8° | 110.2° |
| C19 | C3 | H22 | 107.3° | 111.0° |
| C6 | N1 | C5 | 119.6° | 120.0° |
| N1 | C6 | C11 | 110.5° | 109.5° |
| N1 | C6 | H14 | 108.5° | 109.5° |
| C6 | N1 | H42 | 120.2° | 120.0° |
| N1 | C5 | O2 | 110.6° | 120.0° |
| N1 | C5 | O6 | 125.1° | 120.0° |
| C5 | N1 | H42 | 120.2° | 120.0° |
| N4 | C1 | O1 | 126.0° | 124.9° |
| N4 | C1 | C2 | 106.9° | 110.1° |
| C6 | C11 | O5 | 120.2° | 120.0° |
| C6 | C11 | N2 | 116.7° | 120.0° |
| C11 | C6 | H14 | 107.6° | 109.5° |
| C5 | O2 | C4 | 116.3° | 117.0° |
| O2 | C5 | O6 | 124.2° | 120.0° |
| O2 | C4 | C3 | 109.5° | 109.5° |
| O2 | C4 | H40 | 109.5° | 109.5° |
| O2 | C4 | H41 | 109.5° | 109.5° |
| O1 | C1 | C2 | 127.1° | 125.0° |
| C1 | C2 | C3 | 103.8° | 104.2° |
| C1 | C2 | H23 | 110.9° | 110.4° |
| C1 | C2 | H24 | 110.9° | 110.6° |
| C4 | C3 | C2 | 114.3° | 111.0° |
| C4 | C3 | H22 | 107.6° | 110.8° |
| C3 | C4 | H40 | 109.5° | 109.5° |
| C3 | C4 | H41 | 109.5° | 109.5° |
| C2 | C3 | H22 | 107.2° | 111.0° |
| C3 | C2 | H23 | 110.9° | 110.5° |
| C3 | C2 | H24 | 110.9° | 110.5° |
| O5 | C11 | N2 | 123.1° | 120.1° |
| C11 | N2 | C12 | 123.4° | 120.0° |
| C11 | N2 | H43 | 118.3° | 120.0° |
| N2 | C12 | C18 | 110.1° | 109.5° |
| N2 | C12 | C13 | 109.8° | 109.5° |
| N2 | C12 | H6 | 108.8° | 109.5° |
| C12 | N2 | H43 | 118.3° | 120.0° |
| C18 | C12 | C13 | 111.9° | 109.4° |
| C12 | C18 | O4 | 111.7° | 109.5° |
| C12 | C18 | H1 | 107.0° | 109.5° |
| C12 | C18 | S1 | 107.8° | 109.5° |
| C18 | C12 | H6 | 108.1° | 109.5° |
| C12 | C13 | C14 | 112.3° | 109.4° |
| C13 | C12 | H6 | 108.0° | 109.5° |
| C12 | C13 | H34 | 108.7° | 109.5° |
| C12 | C13 | H35 | 108.7° | 109.5° |
| O4 | C18 | H1 | 108.2° | 109.5° |
| O4 | C18 | S1 | 107.8° | 109.5° |
| C18 | O4 | H21 | 109.5° | 114.0° |
| C13 | C14 | C17 | 115.3° | 110.4° |
| C13 | C14 | C15 | 112.9° | 110.5° |
| C13 | C14 | H5 | 108.5° | 110.5° |
| C14 | C13 | H34 | 108.8° | 109.5° |
| C14 | C13 | H35 | 108.7° | 109.4° |
| C17 | C14 | C15 | 102.7° | 104.2° |
| C14 | C17 | C16 | 103.6° | 101.7° |
| C17 | C14 | H5 | 108.5° | 110.5° |
| C14 | C17 | H25 | 110.9° | 111.0° |
| C14 | C17 | H26 | 110.9° | 111.0° |
| C14 | C15 | O3 | 125.5° | 125.0° |
| C14 | C15 | N3 | 108.5° | 110.1° |
| C15 | C14 | H5 | 108.6° | 110.5° |
| C17 | C16 | N3 | 101.9° | 105.4° |
| C17 | C16 | H3 | 111.3° | 110.3° |
| C17 | C16 | H4 | 111.3° | 110.3° |
| C16 | C17 | H25 | 110.9° | 110.9° |
| C16 | C17 | H26 | 110.9° | 111.0° |
| O3 | C15 | N3 | 125.9° | 125.0° |
| C15 | N3 | C16 | 113.0° | 111.3° |
| C15 | N3 | H44 | 123.5° | 124.4° |
| N3 | C16 | H3 | 111.3° | 110.2° |
| N3 | C16 | H4 | 111.3° | 110.2° |
| C16 | N3 | H44 | 123.5° | 124.3° |
| H1 | C18 | S1 | 114.5° | 109.4° |
| C18 | S1 | O8 | 156.7° | 110.5° |
| C18 | S1 | O7 | 156.7° | 110.5° |
| C18 | S1 | O9 | 156.7° | 104.4° |
| H3 | C16 | H4 | 109.5° | 110.2° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H10 | C19 | H11 | 109.5° | 110.3° |
| H12 | C22 | H13 | 109.5° | 110.5° |
| H15 | C7 | H16 | 109.4° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H18 | C9 | H20 | 109.4° | 109.5° |
| H19 | C9 | H20 | 109.4° | 109.5° |
| H23 | C2 | H24 | 109.4° | 110.5° |
| H25 | C17 | H26 | 109.5° | 110.9° |
| H34 | C13 | H35 | 109.5° | 109.5° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H38 | C27 | H39 | 109.5° | 112.2° |
| H40 | C4 | H41 | 109.4° | 109.4° |
| O8 | S1 | O7 | 0.0° | 121.0° |
| O8 | S1 | O9 | 0.0° | 104.3° |
| O7 | S1 | O9 | 0.0° | 104.3° |
| S1 | O9 | H2 | 90.0° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C23 | H38 | 117.2° | 116.1° |
| C26 | C27 | C23 | H39 | 117.2° | 116.0° |
| C27 | C26 | C25 | C21 | 103.5° | 103.4° |
| C27 | C26 | C25 | H33 | 125.8° | 127.2° |
| C27 | C26 | C21 | H33 | 124.5° | 127.9° |
| C26 | C27 | C23 | C24 | 50.7° | 49.6° |
| C26 | C27 | C23 | C22 | 58.1° | 56.9° |
| C27 | C26 | C25 | C24 | 32.8° | 33.4° |
| C27 | C26 | C21 | C22 | 39.1° | 36.3° |
| C27 | C26 | C21 | C20 | 162.0° | 154.8° |
| C27 | C26 | C21 | H27 | 76.0° | 82.3° |
| C26 | C27 | C23 | H28 | 176.6° | 176.2° |
| C27 | C26 | C25 | H31 | 147.2° | 146.7° |
| C26 | C27 | H38 | H39 | 127.6° | 128.1° |
| C23 | C27 | C26 | C25 | 50.2° | 49.5° |
| C23 | C27 | C26 | C21 | 59.3° | 56.9° |
| C27 | C23 | C24 | C22 | 104.3° | 103.4° |
| C27 | C23 | C24 | H28 | 125.4° | 127.2° |
| C27 | C23 | C22 | H28 | 125.6° | 127.6° |
| C27 | C23 | C24 | C25 | 34.7° | 33.4° |
| C27 | C23 | C22 | C21 | 34.9° | 36.3° |
| C27 | C23 | C22 | H12 | 84.0° | 154.9° |
| C27 | C23 | C22 | H13 | 153.9° | 82.4° |
| C27 | C23 | C24 | H29 | 145.3° | 146.7° |
| C23 | C27 | C26 | H33 | 176.5° | 175.9° |
| C23 | C27 | H38 | H39 | 127.7° | 128.0° |
| C25 | C26 | C21 | H33 | 131.3° | 129.4° |
| C26 | C25 | C24 | C23 | 1.2° | 0.1° |
| C26 | C25 | C24 | H31 | 180.0° | 179.9° |
| C25 | C26 | C21 | C22 | 65.1° | 66.4° |
| C25 | C26 | C21 | C20 | 57.8° | 52.1° |
| C25 | C26 | C21 | H27 | 179.9° | 175.0° |
| C26 | C25 | C24 | H29 | 178.7° | 179.8° |
| C25 | C26 | C27 | H38 | 167.4° | 66.6° |
| C25 | C26 | C27 | H39 | 67.0° | 165.5° |
| C26 | C21 | C22 | C23 | 2.5° | 0.0° |
| C21 | C26 | C25 | C24 | 70.7° | 69.9° |
| C26 | C21 | C22 | C20 | 124.2° | 118.6° |
| C26 | C21 | C22 | H27 | 114.8° | 118.7° |
| C26 | C21 | C20 | H27 | 121.8° | 123.0° |
| C26 | C21 | C20 | N4 | 176.2° | 179.3° |
| C26 | C21 | C22 | H12 | 121.4° | 118.5° |
| C26 | C21 | C22 | H13 | 116.4° | 118.7° |
| C21 | C26 | C25 | H31 | 109.3° | 110.0° |
| C26 | C21 | C20 | H36 | 63.6° | 60.7° |
| C26 | C21 | C20 | H37 | 56.0° | 59.3° |
| C21 | C26 | C27 | H38 | 57.9° | 173.1° |
| C21 | C26 | C27 | H39 | 176.5° | 59.1° |
| C9 | C8 | C10 | C7 | 123.6° | 120.0° |
| C9 | C8 | C10 | H17 | 117.9° | 120.0° |
| C9 | C8 | C7 | H17 | 117.9° | 120.0° |
| C9 | C8 | C7 | C6 | 177.3° | 63.9° |
| C9 | C8 | C10 | H7 | 180.0° | 180.0° |
| C9 | C8 | C10 | H8 | 60.0° | 59.9° |
| C9 | C8 | C10 | H9 | 60.0° | 60.0° |
| C9 | C8 | C7 | H15 | 61.8° | 56.1° |
| C9 | C8 | C7 | H16 | 56.5° | 176.2° |
| C8 | C9 | H18 | H19 | 120.0° | 119.9° |
| C8 | C9 | H18 | H20 | 120.0° | 120.0° |
| C8 | C9 | H19 | H20 | 120.0° | 120.0° |
| C24 | C23 | C22 | H28 | 130.8° | 129.4° |
| C23 | C24 | C25 | H29 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 68.7° | 66.7° |
| C24 | C23 | C22 | H12 | 172.3° | 51.9° |
| C24 | C23 | C22 | H13 | 50.2° | 174.7° |
| C23 | C24 | C25 | H31 | 178.8° | 180.0° |
| C24 | C23 | C27 | H38 | 167.9° | 66.5° |
| C24 | C23 | C27 | H39 | 66.5° | 165.7° |
| C22 | C23 | C24 | C25 | 69.6° | 70.1° |
| C23 | C22 | C21 | H12 | 118.9° | 118.6° |
| C23 | C22 | C21 | H13 | 118.9° | 118.6° |
| C23 | C22 | C21 | C20 | 126.7° | 118.6° |
| C23 | C22 | H12 | H13 | 123.0° | 122.8° |
| C23 | C22 | C21 | H27 | 112.3° | 118.7° |
| C22 | C23 | C24 | H29 | 110.4° | 109.9° |
| C22 | C23 | C27 | H38 | 59.1° | 173.0° |
| C22 | C23 | C27 | H39 | 175.3° | 59.2° |
| C25 | C24 | C23 | H28 | 160.2° | 160.6° |
| C24 | C25 | C26 | H33 | 158.6° | 160.6° |
| C22 | C21 | C20 | H27 | 120.9° | 122.7° |
| C22 | C21 | C20 | N4 | 66.5° | 66.4° |
| C21 | C22 | H12 | H13 | 123.1° | 122.8° |
| C21 | C22 | C23 | H28 | 160.5° | 163.9° |
| C22 | C21 | C26 | H33 | 163.6° | 164.2° |
| C22 | C21 | C20 | H36 | 53.7° | 53.6° |
| C22 | C21 | C20 | H37 | 173.3° | 173.6° |
| C21 | C20 | N4 | H36 | 120.2° | 120.0° |
| C21 | C20 | N4 | H37 | 120.2° | 120.0° |
| C21 | C20 | N4 | C19 | 66.2° | 90.0° |
| C21 | C20 | N4 | C1 | 115.3° | 90.0° |
| C20 | C21 | C22 | H12 | 114.4° | 0.0° |
| C20 | C21 | C22 | H13 | 7.8° | 122.7° |
| C20 | C21 | C26 | H33 | 73.5° | 77.3° |
| C21 | C20 | H36 | H37 | 119.5° | 120.0° |
| C10 | C8 | C7 | H17 | 118.6° | 120.0° |
| C10 | C8 | C7 | C6 | 59.1° | 176.1° |
| C8 | C10 | H7 | H8 | 120.0° | 120.1° |
| C8 | C10 | H7 | H9 | 120.0° | 120.0° |
| C8 | C10 | H8 | H9 | 120.0° | 119.9° |
| C10 | C8 | C7 | H15 | 61.8° | 63.9° |
| C10 | C8 | C7 | H16 | 180.0° | 56.1° |
| C10 | C8 | C9 | H18 | 180.0° | 56.7° |
| C10 | C8 | C9 | H19 | 60.0° | 63.3° |
| C10 | C8 | C9 | H20 | 60.0° | 176.7° |
| C8 | C7 | C6 | H15 | 120.9° | 120.0° |
| C8 | C7 | C6 | H16 | 120.8° | 120.0° |
| C8 | C7 | C6 | N1 | 61.2° | 172.1° |
| C8 | C7 | C6 | C11 | 175.1° | 67.9° |
| C7 | C8 | C10 | H7 | 56.4° | 60.0° |
| C7 | C8 | C10 | H8 | 176.4° | 179.9° |
| C7 | C8 | C10 | H9 | 63.6° | 60.0° |
| C8 | C7 | C6 | H14 | 57.7° | 52.1° |
| C8 | C7 | H15 | H16 | 117.4° | 120.1° |
| C7 | C8 | C9 | H18 | 55.7° | 63.3° |
| C7 | C8 | C9 | H19 | 64.3° | 176.7° |
| C7 | C8 | C9 | H20 | 175.7° | 56.7° |
| C20 | N4 | C19 | C1 | 178.7° | 180.0° |
| C20 | N4 | C19 | C3 | 145.2° | 163.0° |
| C20 | N4 | C1 | O1 | 15.0° | 0.4° |
| C20 | N4 | C1 | C2 | 164.2° | 179.6° |
| C20 | N4 | C19 | H10 | 26.8° | 44.0° |
| C20 | N4 | C19 | H11 | 96.4° | 78.0° |
| N4 | C20 | C21 | H27 | 54.4° | 56.3° |
| N4 | C20 | H36 | H37 | 119.4° | 120.0° |
| C7 | C6 | N1 | C11 | 123.9° | 120.0° |
| C7 | C6 | N1 | H14 | 118.4° | 120.0° |
| C7 | C6 | N1 | C5 | 179.7° | 88.1° |
| C7 | C6 | C11 | H14 | 117.5° | 120.0° |
| C7 | C6 | C11 | O5 | 79.5° | 111.5° |
| C7 | C6 | C11 | N2 | 102.3° | 68.5° |
| C6 | C7 | H15 | H16 | 117.3° | 120.0° |
| C6 | C7 | C8 | H17 | 59.5° | 56.2° |
| C7 | C6 | N1 | H42 | 0.3° | 91.9° |
| N4 | C19 | C3 | H10 | 118.4° | 119.0° |
| N4 | C19 | C3 | H11 | 118.4° | 119.0° |
| C19 | N4 | C1 | O1 | 166.4° | 179.6° |
| C19 | N4 | C1 | C2 | 14.5° | 0.4° |
| N4 | C19 | C3 | C4 | 163.4° | 92.7° |
| N4 | C19 | C3 | C2 | 37.4° | 25.4° |
| N4 | C19 | H10 | H11 | 124.5° | 122.0° |
| N4 | C19 | C3 | H22 | 75.3° | 143.6° |
| C19 | N4 | C20 | H36 | 173.6° | 30.0° |
| C19 | N4 | C20 | H37 | 54.0° | 150.0° |
| C3 | C19 | N4 | C1 | 33.5° | 17.0° |
| C19 | C3 | C4 | O2 | 37.7° | 175.0° |
| C19 | C3 | C2 | C1 | 30.5° | 24.8° |
| C19 | C3 | C4 | C2 | 119.9° | 112.4° |
| C19 | C3 | C4 | H22 | 121.1° | 123.8° |
| C19 | C3 | C2 | H22 | 112.8° | 118.2° |
| C3 | C19 | H10 | H11 | 124.5° | 122.0° |
| C19 | C3 | C2 | H23 | 88.5° | 93.8° |
| C19 | C3 | C2 | H24 | 149.6° | 143.6° |
| C19 | C3 | C4 | H40 | 157.7° | 54.9° |
| C19 | C3 | C4 | H41 | 82.4° | 65.0° |
| C6 | N1 | C5 | H42 | 180.0° | 180.0° |
| N1 | C6 | C11 | H14 | 118.4° | 120.0° |
| C6 | N1 | C5 | O2 | 166.5° | 175.0° |
| C6 | N1 | C5 | O6 | 15.0° | 5.0° |
| N1 | C6 | C11 | O5 | 44.7° | 8.4° |
| N1 | C6 | C11 | N2 | 133.6° | 171.5° |
| N1 | C6 | C7 | H15 | 177.9° | 52.2° |
| N1 | C6 | C7 | H16 | 59.6° | 67.9° |
| C5 | N1 | C6 | C11 | 56.4° | 152.0° |
| N1 | C5 | O2 | O6 | 178.5° | 180.0° |
| N1 | C5 | O2 | C4 | 160.9° | 180.0° |
| C5 | N1 | C6 | H14 | 61.4° | 32.0° |
| N4 | C1 | O1 | C2 | 179.0° | 180.0° |
| N4 | C1 | C2 | C3 | 11.0° | 16.2° |
| C1 | N4 | C19 | H10 | 152.0° | 136.1° |
| C1 | N4 | C19 | H11 | 84.9° | 102.0° |
| N4 | C1 | C2 | H23 | 108.1° | 102.4° |
| N4 | C1 | C2 | H24 | 130.1° | 135.0° |
| C1 | N4 | C20 | H36 | 4.9° | 150.1° |
| C1 | N4 | C20 | H37 | 124.5° | 30.0° |
| C6 | C11 | O5 | N2 | 178.1° | 179.9° |
| C6 | C11 | N2 | C12 | 179.2° | 177.9° |
| C11 | C6 | C7 | H15 | 54.2° | 172.1° |
| C11 | C6 | C7 | H16 | 64.0° | 52.1° |
| C11 | C6 | N1 | H42 | 123.6° | 28.0° |
| C6 | C11 | N2 | H43 | 0.8° | 2.1° |
| C5 | O2 | C4 | C3 | 122.6° | 180.0° |
| C5 | O2 | C4 | H40 | 2.5° | 59.9° |
| C5 | O2 | C4 | H41 | 117.4° | 60.0° |
| O2 | C5 | N1 | H42 | 13.5° | 5.0° |
| C4 | O2 | C5 | O6 | 20.5° | 0.0° |
| O2 | C4 | C3 | H40 | 120.0° | 120.1° |
| O2 | C4 | C3 | H41 | 120.0° | 120.0° |
| O2 | C4 | C3 | C2 | 157.5° | 72.6° |
| O2 | C4 | C3 | H22 | 83.5° | 51.2° |
| O2 | C4 | H40 | H41 | 120.0° | 119.9° |
| O6 | C5 | N1 | H42 | 165.0° | 175.0° |
| O1 | C1 | C2 | C3 | 168.1° | 163.8° |
| O1 | C1 | C2 | H23 | 72.7° | 77.6° |
| O1 | C1 | C2 | H24 | 49.0° | 45.0° |
| C1 | C2 | C3 | C4 | 158.6° | 93.4° |
| C1 | C2 | C3 | H23 | 119.1° | 118.6° |
| C1 | C2 | C3 | H24 | 119.1° | 118.8° |
| C1 | C2 | C3 | H22 | 82.2° | 142.9° |
| C1 | C2 | H23 | H24 | 122.6° | 122.6° |
| C4 | C3 | C2 | H22 | 119.2° | 123.7° |
| C4 | C3 | C19 | H10 | 78.2° | 26.3° |
| C4 | C3 | C19 | H11 | 45.0° | 148.3° |
| C4 | C3 | C2 | H23 | 39.5° | 148.0° |
| C4 | C3 | C2 | H24 | 82.3° | 25.4° |
| C3 | C4 | H40 | H41 | 120.0° | 120.0° |
| C2 | C3 | C19 | H10 | 155.8° | 144.4° |
| C2 | C3 | C19 | H11 | 81.0° | 93.6° |
| C3 | C2 | H23 | H24 | 122.6° | 122.6° |
| C2 | C3 | C4 | H40 | 82.5° | 167.4° |
| C2 | C3 | C4 | H41 | 37.5° | 47.5° |
| O5 | C11 | N2 | C12 | 2.7° | 2.2° |
| O5 | C11 | C6 | H14 | 163.0° | 128.5° |
| O5 | C11 | N2 | H43 | 177.3° | 177.8° |
| C11 | N2 | C12 | H43 | 180.0° | 180.0° |
| C11 | N2 | C12 | C18 | 118.8° | 71.0° |
| C11 | N2 | C12 | C13 | 117.6° | 169.0° |
| C11 | N2 | C12 | H6 | 0.4° | 49.0° |
| N2 | C11 | C6 | H14 | 15.2° | 51.4° |
| N2 | C12 | C18 | C13 | 122.4° | 120.0° |
| N2 | C12 | C18 | H6 | 118.8° | 120.0° |
| N2 | C12 | C13 | H6 | 118.5° | 120.0° |
| N2 | C12 | C18 | O4 | 168.8° | 175.0° |
| N2 | C12 | C13 | C14 | 66.9° | 67.0° |
| N2 | C12 | C18 | H1 | 50.5° | 65.0° |
| N2 | C12 | C18 | S1 | 73.0° | 55.0° |
| N2 | C12 | C13 | H34 | 53.5° | 173.0° |
| N2 | C12 | C13 | H35 | 172.6° | 52.9° |
| C18 | C12 | C13 | H6 | 118.9° | 120.0° |
| C12 | C18 | O4 | H1 | 117.5° | 120.0° |
| C12 | C18 | O4 | S1 | 118.2° | 120.0° |
| C18 | C12 | C13 | C14 | 170.5° | 173.0° |
| C12 | C18 | H1 | S1 | 119.3° | 120.0° |
| C12 | C18 | O4 | H21 | 180.0° | 60.0° |
| C18 | C12 | C13 | H34 | 69.1° | 53.1° |
| C18 | C12 | C13 | H35 | 50.0° | 67.1° |
| C18 | C12 | N2 | H43 | 61.2° | 109.0° |
| C12 | C18 | S1 | O8 | 58.8° | 63.4° |
| C12 | C18 | S1 | O7 | 58.8° | 73.3° |
| C12 | C18 | S1 | O9 | 58.8° | 175.0° |
| C13 | C12 | C18 | O4 | 68.8° | 55.0° |
| C12 | C13 | C14 | H34 | 120.4° | 120.0° |
| C12 | C13 | C14 | H35 | 120.4° | 120.0° |
| C12 | C13 | C14 | C17 | 65.4° | 62.8° |
| C12 | C13 | C14 | C15 | 177.0° | 177.6° |
| C13 | C12 | C18 | H1 | 173.0° | 175.0° |
| C13 | C12 | C18 | S1 | 49.4° | 65.0° |
| C12 | C13 | C14 | H5 | 56.5° | 59.8° |
| C12 | C13 | H34 | H35 | 118.7° | 120.1° |
| C13 | C12 | N2 | H43 | 62.4° | 11.0° |
| O4 | C18 | H1 | S1 | 120.2° | 120.0° |
| O4 | C18 | C12 | H6 | 50.0° | 65.0° |
| O4 | C18 | S1 | O8 | 179.5° | 56.6° |
| O4 | C18 | S1 | O7 | 179.5° | 166.6° |
| O4 | C18 | S1 | O9 | 179.5° | 55.0° |
| C13 | C14 | C17 | C15 | 123.2° | 118.6° |
| C13 | C14 | C17 | H5 | 121.9° | 122.6° |
| C13 | C14 | C15 | H5 | 120.4° | 122.6° |
| C13 | C14 | C17 | C16 | 151.4° | 143.5° |
| C13 | C14 | C15 | O3 | 41.8° | 45.1° |
| C13 | C14 | C15 | N3 | 139.5° | 134.9° |
| C14 | C13 | C12 | H6 | 51.6° | 53.0° |
| C13 | C14 | C17 | H25 | 32.4° | 98.5° |
| C13 | C14 | C17 | H26 | 89.5° | 25.4° |
| C14 | C13 | H34 | H35 | 118.7° | 120.0° |
| C17 | C14 | C15 | H5 | 114.8° | 118.7° |
| C14 | C17 | C16 | H25 | 119.0° | 118.1° |
| C14 | C17 | C16 | H26 | 119.0° | 118.1° |
| C17 | C14 | C15 | O3 | 166.6° | 163.8° |
| C17 | C14 | C15 | N3 | 14.7° | 16.3° |
| C14 | C17 | C16 | N3 | 31.2° | 25.4° |
| C14 | C17 | C16 | H3 | 150.0° | 144.4° |
| C14 | C17 | C16 | H4 | 87.6° | 93.6° |
| C14 | C17 | H25 | H26 | 122.7° | 123.9° |
| C17 | C14 | C13 | H34 | 174.2° | 57.2° |
| C17 | C14 | C13 | H35 | 55.0° | 177.2° |
| C15 | C14 | C17 | C16 | 28.3° | 24.8° |
| C14 | C15 | O3 | N3 | 178.5° | 180.0° |
| C14 | C15 | N3 | C16 | 5.8° | 0.4° |
| C15 | C14 | C17 | H25 | 90.8° | 142.9° |
| C15 | C14 | C17 | H26 | 147.3° | 93.3° |
| C15 | C14 | C13 | H34 | 56.6° | 57.6° |
| C15 | C14 | C13 | H35 | 62.6° | 62.4° |
| C14 | C15 | N3 | H44 | 174.2° | 179.6° |
| C17 | C16 | N3 | C15 | 23.9° | 17.1° |
| C17 | C16 | N3 | H3 | 118.8° | 119.0° |
| C17 | C16 | N3 | H4 | 118.8° | 119.1° |
| C17 | C16 | H3 | H4 | 123.5° | 122.1° |
| C16 | C17 | C14 | H5 | 86.6° | 93.9° |
| C16 | C17 | H25 | H26 | 122.7° | 123.8° |
| C17 | C16 | N3 | H44 | 156.1° | 163.0° |
| O3 | C15 | N3 | C16 | 172.9° | 179.5° |
| O3 | C15 | C14 | H5 | 78.7° | 77.5° |
| O3 | C15 | N3 | H44 | 7.1° | 0.4° |
| C15 | N3 | C16 | H44 | 180.0° | 180.0° |
| C15 | N3 | C16 | H3 | 142.7° | 136.1° |
| C15 | N3 | C16 | H4 | 94.9° | 102.0° |
| N3 | C15 | C14 | H5 | 100.1° | 102.5° |
| N3 | C16 | H3 | H4 | 123.5° | 121.9° |
| N3 | C16 | C17 | H25 | 87.8° | 143.5° |
| N3 | C16 | C17 | H26 | 150.3° | 92.7° |
| H1 | C18 | C12 | H6 | 68.2° | 55.0° |
| H1 | C18 | O4 | H21 | 62.5° | 180.0° |
| H1 | C18 | S1 | O8 | 60.1° | 176.6° |
| H1 | C18 | S1 | O7 | 60.1° | 46.6° |
| H1 | C18 | S1 | O9 | 60.1° | 65.0° |
| S1 | C18 | C12 | H6 | 168.2° | 175.0° |
| S1 | C18 | O4 | H21 | 61.7° | 60.0° |
| C18 | S1 | O8 | O7 | 90.0° | 131.5° |
| C18 | S1 | O8 | O9 | 90.0° | 111.7° |
| C18 | S1 | O7 | O9 | 90.0° | 111.7° |
| C18 | S1 | O9 | H2 | 90.0° | 180.0° |
| H3 | C16 | C17 | H25 | 31.0° | 97.5° |
| H3 | C16 | C17 | H26 | 91.0° | 26.3° |
| H3 | C16 | N3 | H44 | 37.3° | 44.0° |
| H4 | C16 | C17 | H25 | 153.4° | 24.5° |
| H4 | C16 | C17 | H26 | 31.5° | 148.3° |
| H4 | C16 | N3 | H44 | 85.1° | 77.9° |
| H5 | C14 | C17 | H25 | 154.3° | 24.2° |
| H5 | C14 | C17 | H26 | 32.4° | 148.0° |
| H5 | C14 | C13 | H34 | 63.9° | 179.8° |
| H5 | C14 | C13 | H35 | 176.9° | 60.2° |
| H6 | C12 | C13 | H34 | 172.0° | 66.9° |
| H6 | C12 | C13 | H35 | 68.8° | 173.0° |
| H6 | C12 | N2 | H43 | 179.6° | 131.0° |
| H7 | C10 | H8 | H9 | 120.0° | 120.0° |
| H7 | C10 | C8 | H17 | 62.1° | 60.0° |
| H8 | C10 | C8 | H17 | 57.9° | 60.1° |
| H9 | C10 | C8 | H17 | 177.9° | 180.0° |
| H10 | C19 | C3 | H22 | 43.1° | 97.4° |
| H11 | C19 | C3 | H22 | 166.3° | 24.6° |
| H12 | C22 | C21 | H27 | 6.6° | 122.7° |
| H12 | C22 | C23 | H28 | 41.6° | 77.5° |
| H13 | C22 | C21 | H27 | 128.8° | 0.1° |
| H13 | C22 | C23 | H28 | 80.6° | 45.3° |
| H14 | C6 | C7 | H15 | 63.2° | 67.9° |
| H14 | C6 | C7 | H16 | 178.5° | 172.1° |
| H14 | C6 | N1 | H42 | 118.6° | 148.1° |
| H15 | C7 | C8 | H17 | 179.7° | 176.1° |
| H16 | C7 | C8 | H17 | 61.4° | 63.8° |
| H17 | C8 | C9 | H18 | 62.0° | 176.7° |
| H17 | C8 | C9 | H19 | 177.9° | 56.7° |
| H17 | C8 | C9 | H20 | 58.0° | 63.3° |
| H18 | C9 | H19 | H20 | 119.9° | 120.1° |
| H22 | C3 | C2 | H23 | 158.7° | 24.3° |
| H22 | C3 | C2 | H24 | 36.9° | 98.3° |
| H22 | C3 | C4 | H40 | 36.5° | 68.8° |
| H22 | C3 | C4 | H41 | 156.5° | 171.3° |
| H27 | C21 | C26 | H33 | 48.6° | 45.6° |
| H27 | C21 | C20 | H36 | 174.6° | 176.3° |
| H27 | C21 | C20 | H37 | 65.7° | 63.7° |
| H28 | C23 | C24 | H29 | 19.8° | 19.5° |
| H28 | C23 | C27 | H38 | 66.2° | 60.1° |
| H28 | C23 | C27 | H39 | 59.4° | 67.7° |
| H29 | C24 | C25 | H31 | 1.2° | 0.1° |
| H31 | C25 | C26 | H33 | 21.4° | 19.5° |
| H33 | C26 | C27 | H38 | 66.3° | 59.7° |
| H33 | C26 | C27 | H39 | 59.3° | 68.1° |
| O8 | S1 | O7 | O9 | 90.0° | 116.8° |
| O8 | S1 | O9 | H2 | 90.0° | 64.0° |
| O7 | S1 | O9 | H2 | 90.0° | 63.9° |
