4YG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C17 | doub | 1.21Å | 1.22Å | |
| C17 | N4 | sing | 1.34Å | 1.39Å | |
| C17 | C14 | sing | 1.51Å | 1.51Å | |
| N4 | C16 | sing | 1.47Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| O6 | C18 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.55Å | 1.51Å | |
| C18 | C12 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C12 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C11 | sing | 1.35Å | 1.38Å | |
| C5 | S1 | sing | 1.81Å | 1.77Å | |
| O3 | C6 | doub | 1.21Å | 1.22Å | |
| C19 | S2 | sing | 1.71Å | 1.72Å | Aromatic |
| C19 | N5 | doub | 1.28Å | 1.32Å | Aromatic |
| S2 | C25 | sing | 1.76Å | 1.72Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | O4 | doub | 1.21Å | 1.22Å | |
| C10 | C9 | sing | 1.54Å | 1.50Å | |
| C10 | N2 | sing | 1.49Å | 1.47Å | |
| C6 | N2 | sing | 1.35Å | 1.39Å | |
| C6 | C4 | sing | 1.51Å | 1.50Å | |
| N5 | C20 | sing | 1.35Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.49Å | |
| N1 | S1 | sing | 1.66Å | 1.73Å | |
| N1 | C4 | sing | 1.46Å | 1.49Å | |
| S1 | O2 | doub | 1.42Å | 1.45Å | |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C9 | C26 | sing | 1.57Å | 1.52Å | |
| C9 | C8 | sing | 1.54Å | 1.49Å | |
| N2 | C7 | sing | 1.48Å | 1.48Å | |
| C26 | C28 | sing | 1.53Å | 1.48Å | |
| C26 | C8 | sing | 1.53Å | 1.52Å | |
| C25 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C2 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.41Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.54Å | 1.49Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| O6 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C17 | N4 | 127.2° | 124.9° |
| O5 | C17 | C14 | 124.8° | 124.9° |
| N4 | C17 | C14 | 107.9° | 110.2° |
| C17 | N4 | C16 | 110.6° | 111.3° |
| C17 | N4 | H27 | 124.7° | 124.4° |
| C17 | C14 | C13 | 109.9° | 110.4° |
| C17 | C14 | C15 | 102.0° | 104.2° |
| C17 | C14 | H22 | 110.6° | 110.5° |
| N4 | C16 | C15 | 101.4° | 105.5° |
| N4 | C16 | H25 | 111.4° | 110.3° |
| N4 | C16 | H26 | 111.5° | 110.3° |
| C16 | N4 | H27 | 124.7° | 124.3° |
| C14 | C13 | C12 | 111.7° | 109.4° |
| C13 | C14 | C15 | 113.1° | 110.5° |
| C13 | C14 | H22 | 110.5° | 110.6° |
| C14 | C13 | H21 | 108.9° | 109.4° |
| C14 | C13 | H20 | 108.9° | 109.5° |
| C13 | C12 | C18 | 114.9° | 109.5° |
| C13 | C12 | N3 | 110.7° | 109.5° |
| C12 | C13 | H21 | 108.9° | 109.4° |
| C12 | C13 | H20 | 108.9° | 109.5° |
| C13 | C12 | H19 | 108.1° | 109.5° |
| C14 | C15 | C16 | 103.4° | 101.8° |
| C14 | C15 | H23 | 111.0° | 111.0° |
| C14 | C15 | H24 | 111.0° | 111.0° |
| C15 | C14 | H22 | 110.4° | 110.5° |
| O6 | C18 | C12 | 110.6° | 109.5° |
| O6 | C18 | C19 | 108.7° | 109.5° |
| O6 | C18 | H38 | 110.8° | 109.4° |
| C18 | O6 | H39 | 109.5° | 114.0° |
| C16 | C15 | H23 | 110.9° | 111.0° |
| C16 | C15 | H24 | 111.0° | 110.9° |
| C15 | C16 | H25 | 111.4° | 110.3° |
| C15 | C16 | H26 | 111.5° | 110.2° |
| C12 | C18 | C19 | 107.6° | 109.5° |
| C18 | C12 | N3 | 106.0° | 109.5° |
| C12 | C18 | H38 | 109.4° | 109.5° |
| C18 | C12 | H19 | 108.0° | 109.5° |
| C18 | C19 | S2 | 121.1° | 124.2° |
| C18 | C19 | N5 | 124.9° | 124.2° |
| C19 | C18 | H38 | 109.7° | 109.5° |
| C12 | N3 | C11 | 123.1° | 120.0° |
| N3 | C12 | H19 | 109.0° | 109.4° |
| C12 | N3 | H18 | 118.4° | 119.9° |
| N3 | C11 | C10 | 112.1° | 120.0° |
| N3 | C11 | O4 | 126.6° | 120.0° |
| C11 | N3 | H18 | 118.5° | 120.0° |
| C5 | S1 | N1 | 100.6° | 104.5° |
| C5 | S1 | O2 | 105.8° | 110.6° |
| C5 | S1 | O1 | 105.8° | 110.6° |
| S1 | C5 | H12 | 109.5° | 109.5° |
| S1 | C5 | H11 | 109.5° | 109.5° |
| S1 | C5 | H10 | 109.5° | 109.5° |
| O3 | C6 | N2 | 123.0° | 120.0° |
| O3 | C6 | C4 | 119.0° | 120.0° |
| S2 | C19 | N5 | 114.0° | 111.5° |
| C19 | S2 | C25 | 91.3° | 90.8° |
| C19 | N5 | C20 | 111.0° | 117.9° |
| S2 | C25 | C20 | 108.3° | 108.0° |
| S2 | C25 | C24 | 129.2° | 131.7° |
| C10 | C11 | O4 | 121.3° | 120.0° |
| C11 | C10 | C9 | 112.1° | 110.4° |
| C11 | C10 | N2 | 104.7° | 110.7° |
| C11 | C10 | H17 | 111.1° | 110.3° |
| C9 | C10 | N2 | 106.2° | 104.4° |
| C10 | C9 | C26 | 126.6° | 118.1° |
| C10 | C9 | C8 | 107.9° | 105.3° |
| C9 | C10 | H17 | 111.1° | 110.4° |
| C10 | C9 | H16 | 115.8° | 117.6° |
| C10 | N2 | C6 | 119.2° | 127.8° |
| C10 | N2 | C7 | 111.1° | 104.5° |
| N2 | C10 | H17 | 111.4° | 110.5° |
| N2 | C6 | C4 | 118.0° | 120.0° |
| C6 | N2 | C7 | 126.6° | 127.7° |
| C6 | C4 | N1 | 105.0° | 109.5° |
| C6 | C4 | C2 | 110.2° | 109.4° |
| C6 | C4 | H8 | 110.0° | 109.4° |
| N5 | C20 | C25 | 115.3° | 111.8° |
| N5 | C20 | C21 | 127.0° | 129.7° |
| C27 | C26 | C9 | 119.4° | 117.5° |
| C27 | C26 | C28 | 115.4° | 115.5° |
| C27 | C26 | C8 | 118.1° | 117.7° |
| C26 | C27 | H32 | 109.5° | 109.5° |
| C26 | C27 | H33 | 109.5° | 109.5° |
| C26 | C27 | H34 | 109.5° | 109.5° |
| S1 | N1 | C4 | 119.8° | 120.0° |
| N1 | S1 | O2 | 110.8° | 104.3° |
| N1 | S1 | O1 | 110.3° | 104.2° |
| S1 | N1 | H9 | 106.8° | 119.9° |
| N1 | C4 | C2 | 111.4° | 109.5° |
| N1 | C4 | H8 | 110.2° | 109.5° |
| C4 | N1 | H9 | 106.8° | 120.1° |
| O2 | S1 | O1 | 121.2° | 121.0° |
| C3 | C2 | C4 | 114.8° | 109.5° |
| C3 | C2 | C1 | 107.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C3 | C2 | H4 | 109.2° | 109.4° |
| C26 | C9 | C8 | 60.7° | 58.8° |
| C9 | C26 | C28 | 117.0° | 117.4° |
| C9 | C26 | C8 | 58.7° | 59.7° |
| C26 | C9 | H16 | 115.3° | 119.6° |
| C9 | C8 | C26 | 60.6° | 61.5° |
| C9 | C8 | C7 | 108.8° | 104.9° |
| C9 | C8 | H15 | 115.5° | 121.9° |
| C8 | C9 | H16 | 115.9° | 123.2° |
| N2 | C7 | C8 | 105.8° | 104.7° |
| N2 | C7 | H13 | 110.4° | 110.4° |
| N2 | C7 | H14 | 110.4° | 110.4° |
| C28 | C26 | C8 | 116.6° | 117.7° |
| C26 | C28 | H35 | 109.5° | 109.5° |
| C26 | C28 | H36 | 109.5° | 109.5° |
| C26 | C28 | H37 | 109.4° | 109.4° |
| C26 | C8 | C7 | 127.1° | 118.1° |
| C26 | C8 | H15 | 115.0° | 119.6° |
| C20 | C25 | C24 | 122.5° | 120.3° |
| C25 | C20 | C21 | 117.7° | 118.5° |
| C25 | C24 | C23 | 118.6° | 119.9° |
| C25 | C24 | H31 | 120.7° | 120.1° |
| C4 | C2 | C1 | 106.7° | 109.5° |
| C2 | C4 | H8 | 109.9° | 109.5° |
| C4 | C2 | H4 | 109.1° | 109.5° |
| C20 | C21 | C22 | 120.2° | 120.4° |
| C20 | C21 | H28 | 119.9° | 119.8° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.4° | 109.5° |
| C8 | C7 | H13 | 110.4° | 110.5° |
| C8 | C7 | H14 | 110.4° | 110.4° |
| C7 | C8 | H15 | 115.5° | 117.6° |
| C24 | C23 | C22 | 120.2° | 120.1° |
| C24 | C23 | H30 | 119.9° | 120.0° |
| C23 | C24 | H31 | 120.7° | 120.0° |
| C21 | C22 | C23 | 120.8° | 120.8° |
| C21 | C22 | H29 | 119.6° | 119.6° |
| C22 | C21 | H28 | 119.9° | 119.8° |
| C23 | C22 | H29 | 119.6° | 119.6° |
| C22 | C23 | H30 | 119.9° | 120.0° |
| H23 | C15 | H24 | 109.5° | 110.9° |
| H25 | C16 | H26 | 109.5° | 110.2° |
| H13 | C7 | H14 | 109.4° | 110.3° |
| H32 | C27 | H33 | 109.4° | 109.5° |
| H32 | C27 | H34 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H35 | C28 | H37 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.5° |
| H12 | C5 | H11 | 109.5° | 109.4° |
| H12 | C5 | H10 | 109.4° | 109.4° |
| H11 | C5 | H10 | 109.5° | 109.5° |
| H21 | C13 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C17 | N4 | C14 | 177.6° | 179.7° |
| O5 | C17 | N4 | C16 | 162.6° | 179.9° |
| O5 | C17 | C14 | C13 | 52.1° | 77.9° |
| O5 | C17 | C14 | C15 | 172.4° | 163.5° |
| O5 | C17 | C14 | H22 | 70.2° | 44.8° |
| O5 | C17 | N4 | H27 | 17.4° | 0.2° |
| C17 | N4 | C16 | H27 | 180.0° | 180.0° |
| N4 | C17 | C14 | C13 | 130.2° | 102.4° |
| N4 | C17 | C14 | C15 | 9.9° | 16.2° |
| C17 | N4 | C16 | C15 | 33.5° | 17.0° |
| C17 | N4 | C16 | H25 | 85.2° | 102.0° |
| C17 | N4 | C16 | H26 | 152.1° | 136.1° |
| N4 | C17 | C14 | H22 | 107.5° | 134.9° |
| C14 | C17 | N4 | C16 | 15.0° | 0.4° |
| C17 | C14 | C13 | C15 | 113.3° | 114.7° |
| C17 | C14 | C13 | H22 | 122.3° | 122.6° |
| C17 | C14 | C13 | C12 | 178.7° | 64.4° |
| C17 | C14 | C15 | H22 | 117.6° | 118.7° |
| C17 | C14 | C15 | C16 | 29.3° | 24.8° |
| C17 | C14 | C15 | H23 | 89.7° | 93.4° |
| C17 | C14 | C15 | H24 | 148.4° | 142.9° |
| C17 | C14 | C13 | H21 | 61.0° | 175.7° |
| C17 | C14 | C13 | H20 | 58.4° | 55.7° |
| C14 | C17 | N4 | H27 | 164.9° | 179.5° |
| N4 | C16 | C15 | C14 | 38.0° | 25.4° |
| N4 | C16 | C15 | H25 | 118.7° | 119.0° |
| N4 | C16 | C15 | H26 | 118.7° | 119.1° |
| N4 | C16 | C15 | H23 | 81.1° | 92.7° |
| N4 | C16 | C15 | H24 | 157.0° | 143.6° |
| N4 | C16 | H25 | H26 | 123.8° | 122.0° |
| C14 | C13 | C12 | H21 | 120.3° | 119.9° |
| C14 | C13 | C12 | H20 | 120.3° | 120.0° |
| C13 | C14 | C15 | H22 | 124.4° | 122.7° |
| C13 | C14 | C15 | C16 | 147.3° | 93.8° |
| C14 | C13 | C12 | C18 | 176.5° | 75.1° |
| C14 | C13 | C12 | N3 | 56.5° | 164.9° |
| C13 | C14 | C15 | H23 | 28.3° | 148.0° |
| C13 | C14 | C15 | H24 | 93.6° | 24.3° |
| C14 | C13 | H21 | H20 | 119.0° | 120.0° |
| C14 | C13 | C12 | H19 | 62.9° | 45.0° |
| C12 | C13 | C14 | C15 | 68.0° | 179.1° |
| C13 | C12 | C18 | O6 | 49.9° | 52.4° |
| C13 | C12 | C18 | N3 | 122.6° | 120.0° |
| C13 | C12 | C18 | H19 | 120.7° | 120.1° |
| C13 | C12 | C18 | C19 | 168.4° | 67.6° |
| C13 | C12 | N3 | H19 | 118.7° | 120.0° |
| C13 | C12 | N3 | C11 | 108.6° | 84.9° |
| C12 | C13 | C14 | H22 | 56.3° | 58.3° |
| C12 | C13 | H21 | H20 | 119.0° | 120.1° |
| C13 | C12 | C18 | H38 | 72.4° | 172.4° |
| C13 | C12 | N3 | H18 | 71.4° | 95.1° |
| C14 | C15 | C16 | H23 | 119.0° | 118.2° |
| C14 | C15 | C16 | H24 | 119.0° | 118.1° |
| C14 | C15 | H23 | H24 | 122.8° | 123.8° |
| C14 | C15 | C16 | H25 | 80.7° | 93.6° |
| C14 | C15 | C16 | H26 | 156.7° | 144.5° |
| C15 | C14 | C13 | H21 | 52.3° | 61.0° |
| C15 | C14 | C13 | H20 | 171.7° | 59.0° |
| O6 | C18 | C12 | C19 | 118.6° | 120.0° |
| O6 | C18 | C12 | H38 | 122.3° | 120.0° |
| O6 | C18 | C19 | H38 | 121.3° | 119.9° |
| O6 | C18 | C12 | N3 | 172.5° | 67.6° |
| O6 | C18 | C19 | S2 | 120.5° | 167.5° |
| O6 | C18 | C19 | N5 | 59.9° | 12.5° |
| O6 | C18 | C12 | H19 | 70.8° | 172.5° |
| C16 | C15 | H23 | H24 | 122.8° | 123.7° |
| C15 | C16 | H25 | H26 | 123.8° | 121.9° |
| C16 | C15 | C14 | H22 | 88.3° | 143.5° |
| C15 | C16 | N4 | H27 | 146.5° | 162.9° |
| C12 | C18 | C19 | H38 | 118.9° | 120.0° |
| C18 | C12 | N3 | H19 | 116.0° | 120.0° |
| C18 | C12 | N3 | C11 | 126.2° | 155.1° |
| C12 | C18 | C19 | S2 | 119.8° | 72.5° |
| C12 | C18 | C19 | N5 | 59.8° | 107.5° |
| C18 | C12 | C13 | H21 | 63.1° | 44.8° |
| C18 | C12 | C13 | H20 | 56.2° | 164.9° |
| C18 | C12 | N3 | H18 | 53.8° | 24.9° |
| C12 | C18 | O6 | H39 | 180.0° | 60.0° |
| C19 | C18 | C12 | N3 | 68.9° | 172.4° |
| C18 | C19 | S2 | N5 | 179.7° | 180.0° |
| C18 | C19 | S2 | C25 | 178.6° | 180.0° |
| C18 | C19 | N5 | C20 | 178.9° | 180.0° |
| C19 | C18 | C12 | H19 | 47.8° | 52.5° |
| C19 | C18 | O6 | H39 | 62.1° | 60.1° |
| C12 | N3 | C11 | H18 | 180.0° | 180.0° |
| C12 | N3 | C11 | C10 | 175.3° | 175.0° |
| C12 | N3 | C11 | O4 | 4.4° | 5.1° |
| N3 | C12 | C13 | H21 | 176.8° | 75.2° |
| N3 | C12 | C13 | H20 | 63.9° | 44.8° |
| N3 | C12 | C18 | H38 | 50.2° | 52.4° |
| N3 | C11 | C10 | O4 | 179.7° | 179.9° |
| N3 | C11 | C10 | C9 | 85.9° | 80.0° |
| N3 | C11 | C10 | N2 | 159.4° | 164.9° |
| N3 | C11 | C10 | H17 | 39.0° | 42.4° |
| C11 | N3 | C12 | H19 | 10.2° | 35.1° |
| C5 | S1 | N1 | O2 | 111.6° | 116.1° |
| C5 | S1 | N1 | O1 | 111.4° | 116.1° |
| C5 | S1 | N1 | C4 | 110.5° | 65.0° |
| C5 | S1 | O2 | O1 | 120.2° | 131.6° |
| S1 | C5 | H12 | H11 | 120.0° | 120.0° |
| S1 | C5 | H12 | H10 | 120.0° | 120.0° |
| S1 | C5 | H11 | H10 | 120.0° | 120.1° |
| C5 | S1 | N1 | H9 | 128.0° | 115.0° |
| O3 | C6 | N2 | C10 | 0.7° | 3.2° |
| O3 | C6 | N2 | C4 | 177.8° | 179.9° |
| O3 | C6 | C4 | N1 | 30.8° | 37.4° |
| O3 | C6 | N2 | C7 | 157.5° | 177.5° |
| O3 | C6 | C4 | C2 | 89.3° | 82.6° |
| O3 | C6 | C4 | H8 | 149.4° | 157.4° |
| S2 | C19 | N5 | C20 | 0.7° | 0.0° |
| C19 | S2 | C25 | C20 | 1.1° | 0.0° |
| C19 | S2 | C25 | C24 | 179.6° | 179.7° |
| S2 | C19 | C18 | H38 | 0.9° | 47.6° |
| N5 | C19 | S2 | C25 | 1.1° | 0.0° |
| C19 | N5 | C20 | C25 | 0.2° | 0.0° |
| C19 | N5 | C20 | C21 | 179.3° | 180.0° |
| N5 | C19 | C18 | H38 | 178.7° | 132.5° |
| S2 | C25 | C20 | N5 | 0.9° | 0.0° |
| S2 | C25 | C20 | C24 | 179.4° | 179.7° |
| S2 | C25 | C20 | C21 | 179.8° | 180.0° |
| S2 | C25 | C24 | C23 | 179.4° | 179.9° |
| S2 | C25 | C24 | H31 | 0.6° | 0.1° |
| C11 | C10 | C9 | N2 | 113.7° | 119.0° |
| C11 | C10 | C9 | H17 | 124.9° | 122.3° |
| C11 | C10 | N2 | H17 | 120.1° | 122.5° |
| C11 | C10 | N2 | C6 | 83.2° | 100.8° |
| C11 | C10 | C9 | C26 | 178.1° | 158.2° |
| C11 | C10 | C9 | C8 | 111.8° | 95.7° |
| C11 | C10 | N2 | C7 | 115.4° | 79.8° |
| C11 | C10 | C9 | H16 | 19.9° | 46.0° |
| C10 | C11 | N3 | H18 | 4.7° | 5.0° |
| O4 | C11 | C10 | C9 | 93.8° | 99.9° |
| O4 | C11 | C10 | N2 | 20.9° | 15.1° |
| O4 | C11 | C10 | H17 | 141.3° | 137.7° |
| O4 | C11 | N3 | H18 | 175.7° | 174.9° |
| C9 | C10 | N2 | H17 | 121.1° | 118.7° |
| C9 | C10 | N2 | C6 | 158.1° | 140.5° |
| C10 | C9 | C26 | C27 | 15.6° | 16.1° |
| C10 | C9 | C26 | C8 | 91.2° | 91.6° |
| C10 | C9 | C26 | H16 | 162.0° | 155.3° |
| C10 | C9 | C8 | H16 | 131.7° | 139.0° |
| C9 | C10 | N2 | C7 | 3.3° | 39.0° |
| C10 | C9 | C26 | C28 | 162.6° | 160.8° |
| C10 | C9 | C8 | C7 | 0.1° | 0.3° |
| C10 | C9 | C8 | H15 | 131.9° | 137.2° |
| C10 | N2 | C6 | C7 | 158.3° | 179.3° |
| C10 | N2 | C6 | C4 | 177.0° | 176.7° |
| N2 | C10 | C9 | C26 | 64.4° | 39.2° |
| N2 | C10 | C9 | C8 | 1.9° | 23.3° |
| C10 | N2 | C7 | C8 | 3.4° | 39.3° |
| C10 | N2 | C7 | H13 | 122.8° | 79.6° |
| C10 | N2 | C7 | H14 | 116.1° | 158.1° |
| N2 | C10 | C9 | H16 | 133.6° | 164.9° |
| N2 | C6 | C4 | N1 | 151.4° | 142.5° |
| N2 | C6 | C4 | C2 | 88.5° | 97.4° |
| C6 | N2 | C7 | C8 | 156.4° | 140.1° |
| C6 | N2 | C7 | H13 | 36.9° | 101.0° |
| C6 | N2 | C7 | H14 | 84.2° | 21.3° |
| C6 | N2 | C10 | H17 | 37.0° | 21.7° |
| N2 | C6 | C4 | H8 | 32.8° | 22.5° |
| C6 | C4 | N1 | S1 | 93.2° | 145.0° |
| C6 | C4 | N1 | C2 | 119.3° | 120.0° |
| C6 | C4 | N1 | H8 | 118.5° | 120.0° |
| C6 | C4 | C2 | C3 | 48.9° | 61.4° |
| C4 | C6 | N2 | C7 | 24.7° | 2.5° |
| C6 | C4 | C2 | H8 | 121.4° | 119.9° |
| C6 | C4 | C2 | C1 | 167.8° | 58.6° |
| C6 | C4 | C2 | H4 | 74.1° | 178.6° |
| C6 | C4 | N1 | H9 | 145.4° | 35.0° |
| N5 | C20 | C25 | C21 | 179.2° | 180.0° |
| N5 | C20 | C25 | C24 | 179.7° | 179.7° |
| N5 | C20 | C21 | C22 | 179.7° | 180.0° |
| N5 | C20 | C21 | H28 | 0.3° | 0.1° |
| C27 | C26 | C9 | C28 | 147.0° | 144.7° |
| C27 | C26 | C9 | C8 | 106.9° | 107.6° |
| C27 | C26 | C28 | C8 | 145.1° | 146.3° |
| C27 | C26 | C8 | C7 | 16.7° | 14.8° |
| C27 | C26 | C8 | H15 | 144.5° | 140.3° |
| C27 | C26 | C9 | H16 | 146.4° | 139.2° |
| C26 | C27 | H32 | H33 | 120.0° | 120.0° |
| C26 | C27 | H32 | H34 | 120.0° | 120.0° |
| C26 | C27 | H33 | H34 | 120.0° | 120.0° |
| C27 | C26 | C28 | H35 | 180.0° | 85.4° |
| C27 | C26 | C28 | H36 | 60.0° | 34.6° |
| C27 | C26 | C28 | H37 | 60.0° | 154.6° |
| S1 | N1 | C4 | H9 | 121.5° | 180.0° |
| N1 | S1 | O2 | O1 | 131.6° | 116.7° |
| S1 | N1 | C4 | C2 | 147.6° | 95.0° |
| N1 | S1 | C5 | H12 | 180.0° | 60.0° |
| N1 | S1 | C5 | H11 | 60.0° | 180.0° |
| N1 | S1 | C5 | H10 | 60.0° | 59.9° |
| S1 | N1 | C4 | H8 | 25.3° | 25.0° |
| C4 | N1 | S1 | O2 | 137.9° | 178.9° |
| C4 | N1 | S1 | O1 | 0.8° | 51.1° |
| N1 | C4 | C2 | C3 | 67.3° | 178.6° |
| N1 | C4 | C2 | H8 | 122.4° | 120.0° |
| N1 | C4 | C2 | C1 | 51.7° | 61.4° |
| N1 | C4 | C2 | H4 | 169.8° | 58.6° |
| O2 | S1 | C5 | H12 | 64.6° | 51.6° |
| O2 | S1 | C5 | H11 | 175.4° | 68.4° |
| O2 | S1 | C5 | H10 | 55.4° | 171.6° |
| O2 | S1 | N1 | H9 | 16.4° | 1.1° |
| O1 | S1 | C5 | H12 | 65.2° | 171.6° |
| O1 | S1 | C5 | H11 | 54.8° | 68.4° |
| O1 | S1 | C5 | H10 | 174.8° | 51.7° |
| O1 | S1 | N1 | H9 | 120.6° | 128.9° |
| C3 | C2 | C4 | C1 | 119.0° | 120.0° |
| C3 | C2 | C4 | H4 | 122.9° | 120.0° |
| C3 | C2 | C1 | H4 | 118.5° | 120.0° |
| C3 | C2 | C1 | H3 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C2 | C3 | H6 | H5 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.1° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C3 | C2 | C4 | H8 | 170.3° | 58.5° |
| C26 | C9 | C8 | H16 | 105.8° | 107.1° |
| C9 | C26 | C28 | C8 | 66.6° | 68.3° |
| C26 | C9 | C8 | C7 | 122.6° | 114.2° |
| C26 | C9 | C10 | H17 | 56.9° | 79.5° |
| C26 | C9 | C8 | H15 | 105.6° | 108.9° |
| C9 | C26 | C27 | H32 | 180.0° | 60.0° |
| C9 | C26 | C27 | H33 | 60.0° | 179.9° |
| C9 | C26 | C27 | H34 | 60.0° | 60.0° |
| C9 | C26 | C28 | H35 | 31.7° | 59.9° |
| C9 | C26 | C28 | H36 | 88.3° | 180.0° |
| C9 | C26 | C28 | H37 | 151.7° | 60.1° |
| C9 | C8 | C7 | N2 | 2.0° | 23.9° |
| C9 | C8 | C7 | H15 | 131.9° | 139.1° |
| C9 | C8 | C7 | H13 | 121.5° | 95.0° |
| C9 | C8 | C7 | H14 | 117.4° | 142.7° |
| C8 | C9 | C10 | H17 | 123.3° | 142.0° |
| N2 | C7 | C8 | C26 | 64.9° | 41.4° |
| N2 | C7 | C8 | H13 | 119.4° | 118.9° |
| N2 | C7 | C8 | H14 | 119.4° | 118.8° |
| N2 | C7 | H13 | H14 | 121.7° | 122.3° |
| C7 | N2 | C10 | H17 | 124.4° | 157.7° |
| N2 | C7 | C8 | H15 | 133.9° | 163.0° |
| C28 | C26 | C8 | C7 | 160.9° | 160.4° |
| C28 | C26 | C8 | H15 | 0.3° | 5.3° |
| C28 | C26 | C9 | H16 | 0.6° | 5.5° |
| C28 | C26 | C27 | H32 | 32.5° | 154.6° |
| C28 | C26 | C27 | H33 | 87.5° | 34.6° |
| C28 | C26 | C27 | H34 | 152.5° | 85.4° |
| C26 | C28 | H35 | H36 | 120.0° | 120.0° |
| C26 | C28 | H35 | H37 | 120.0° | 120.0° |
| C26 | C28 | H36 | H37 | 120.0° | 119.9° |
| C26 | C8 | C7 | H15 | 161.2° | 155.6° |
| C26 | C8 | C7 | H13 | 54.5° | 160.3° |
| C26 | C8 | C7 | H14 | 175.7° | 77.4° |
| C8 | C26 | C27 | H32 | 112.1° | 8.3° |
| C8 | C26 | C27 | H33 | 127.9° | 111.7° |
| C8 | C26 | C27 | H34 | 7.9° | 128.3° |
| C8 | C26 | C28 | H35 | 34.9° | 128.3° |
| C8 | C26 | C28 | H36 | 154.9° | 111.7° |
| C8 | C26 | C28 | H37 | 85.1° | 8.2° |
| C20 | C25 | C24 | C23 | 0.1° | 0.2° |
| C25 | C20 | C21 | C22 | 0.6° | 0.0° |
| C25 | C20 | C21 | H28 | 179.4° | 180.0° |
| C20 | C25 | C24 | H31 | 179.9° | 179.7° |
| C24 | C25 | C20 | C21 | 0.4° | 0.2° |
| C25 | C24 | C23 | H31 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.0° | 0.1° |
| C25 | C24 | C23 | H30 | 180.0° | 180.0° |
| C4 | C2 | C1 | H4 | 117.9° | 120.0° |
| C4 | C2 | C1 | H3 | 56.4° | 180.0° |
| C4 | C2 | C1 | H1 | 63.6° | 60.0° |
| C4 | C2 | C1 | H2 | 176.4° | 60.1° |
| C4 | C2 | C3 | H6 | 180.0° | 61.5° |
| C4 | C2 | C3 | H5 | 60.0° | 58.5° |
| C4 | C2 | C3 | H7 | 60.0° | 178.5° |
| C2 | C4 | N1 | H9 | 26.1° | 85.0° |
| C20 | C21 | C22 | H28 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.5° | 0.3° |
| C20 | C21 | C22 | H29 | 179.6° | 180.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 61.5° | 58.5° |
| C1 | C2 | C3 | H5 | 58.5° | 178.5° |
| C1 | C2 | C3 | H7 | 178.5° | 61.5° |
| C1 | C2 | C4 | H8 | 70.8° | 178.6° |
| C8 | C7 | H13 | H14 | 121.7° | 122.4° |
| C7 | C8 | C9 | H16 | 131.6° | 138.7° |
| C24 | C23 | C22 | C21 | 0.2° | 0.4° |
| C24 | C23 | C22 | H30 | 180.0° | 179.9° |
| C24 | C23 | C22 | H29 | 179.9° | 180.0° |
| C21 | C22 | C23 | H29 | 180.0° | 179.7° |
| C21 | C22 | C23 | H30 | 179.9° | 179.7° |
| C23 | C22 | C21 | H28 | 179.5° | 179.7° |
| C22 | C23 | C24 | H31 | 180.0° | 180.0° |
| H29 | C22 | C23 | H30 | 0.1° | 0.1° |
| H29 | C22 | C21 | H28 | 0.4° | 0.1° |
| H30 | C23 | C24 | H31 | 0.0° | 0.1° |
| H23 | C15 | C16 | H25 | 160.3° | 148.3° |
| H23 | C15 | C16 | H26 | 37.6° | 26.4° |
| H23 | C15 | C14 | H22 | 152.7° | 25.3° |
| H24 | C15 | C16 | H25 | 38.4° | 24.6° |
| H24 | C15 | C16 | H26 | 84.3° | 97.3° |
| H24 | C15 | C14 | H22 | 30.8° | 98.5° |
| H25 | C16 | N4 | H27 | 94.8° | 78.0° |
| H26 | C16 | N4 | H27 | 27.8° | 43.9° |
| H13 | C7 | C8 | H15 | 106.7° | 44.1° |
| H14 | C7 | C8 | H15 | 14.5° | 78.2° |
| H22 | C14 | C13 | H21 | 176.7° | 61.6° |
| H22 | C14 | C13 | H20 | 64.0° | 178.3° |
| H17 | C10 | C9 | H16 | 105.0° | 76.3° |
| H15 | C8 | C9 | H16 | 0.3° | 1.8° |
| H32 | C27 | H33 | H34 | 120.0° | 120.0° |
| H35 | C28 | H36 | H37 | 120.0° | 120.0° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H3 | C1 | C2 | H4 | 61.5° | 60.0° |
| H1 | C1 | C2 | H4 | 178.5° | 60.0° |
| H2 | C1 | C2 | H4 | 58.5° | 179.9° |
| H6 | C3 | H5 | H7 | 120.0° | 120.0° |
| H6 | C3 | C2 | H4 | 57.1° | 178.5° |
| H5 | C3 | C2 | H4 | 177.1° | 61.5° |
| H7 | C3 | C2 | H4 | 62.9° | 58.5° |
| H12 | C5 | H11 | H10 | 120.0° | 120.0° |
| H21 | C13 | C12 | H19 | 57.5° | 164.9° |
| H20 | C13 | C12 | H19 | 176.8° | 75.1° |
| H38 | C18 | C12 | H19 | 166.9° | 67.6° |
| H38 | C18 | O6 | H39 | 58.6° | 179.9° |
| H8 | C4 | C2 | H4 | 47.3° | 61.5° |
| H8 | C4 | N1 | H9 | 96.1° | 154.9° |
| H19 | C12 | N3 | H18 | 169.8° | 144.9° |
