U6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C27 | sing | 1.47Å | 1.53Å | |
| N5 | C28 | sing | 1.35Å | 1.48Å | |
| C27 | C26 | sing | 1.54Å | 1.53Å | |
| C23 | C21 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| O5 | C20 | doub | 1.21Å | 1.20Å | |
| C28 | O6 | doub | 1.21Å | 1.19Å | |
| C28 | C25 | sing | 1.51Å | 1.48Å | |
| C26 | C25 | sing | 1.55Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | N4 | sing | 1.46Å | 1.48Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C20 | N4 | sing | 1.35Å | 1.48Å | |
| C20 | C19 | sing | 1.51Å | 1.55Å | |
| C24 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N3 | sing | 1.46Å | 1.45Å | |
| C19 | O4 | sing | 1.43Å | 1.41Å | |
| O7 | C17 | doub | 1.21Å | 1.20Å | |
| N3 | C17 | sing | 1.35Å | 1.43Å | |
| O3 | C5 | doub | 1.21Å | 1.20Å | |
| C17 | C4 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.51Å | 1.57Å | |
| C5 | N1 | sing | 1.34Å | 1.47Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| N1 | C16 | sing | 1.47Å | 1.45Å | |
| C7 | C16 | sing | 1.54Å | 1.52Å | |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| O2 | C8 | doub | 1.21Å | 1.22Å | |
| C15 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C8 | N2 | sing | 1.35Å | 1.45Å | |
| C8 | O1 | sing | 1.35Å | 1.41Å | |
| C10 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.56Å | |
| C2 | C29 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| C9 | O1 | sing | 1.45Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| O4 | H24 | sing | 0.97Å | 0.95Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | N5 | C28 | 109.4° | 111.3° |
| N5 | C27 | C26 | 104.6° | 105.5° |
| N5 | C27 | H36 | 110.7° | 110.2° |
| N5 | C27 | H37 | 110.7° | 110.3° |
| C27 | N5 | H38 | 125.3° | 124.3° |
| N5 | C28 | O6 | 126.7° | 124.9° |
| N5 | C28 | C25 | 107.6° | 110.0° |
| C28 | N5 | H38 | 125.3° | 124.4° |
| C27 | C26 | C25 | 107.7° | 101.8° |
| C27 | C26 | H34 | 109.9° | 111.0° |
| C27 | C26 | H35 | 109.9° | 111.0° |
| C26 | C27 | H36 | 110.7° | 110.3° |
| C26 | C27 | H37 | 110.6° | 110.3° |
| C21 | C23 | C22 | 59.2° | 60.0° |
| C23 | C21 | C22 | 60.3° | 60.0° |
| C23 | C21 | N4 | 116.2° | 117.5° |
| C23 | C21 | H26 | 116.6° | 117.5° |
| C21 | C23 | H29 | 120.1° | 117.5° |
| C21 | C23 | H30 | 120.1° | 117.5° |
| C23 | C22 | C21 | 60.5° | 60.0° |
| C23 | C22 | H27 | 119.9° | 117.5° |
| C23 | C22 | H28 | 119.9° | 117.5° |
| C22 | C23 | H29 | 120.1° | 117.5° |
| C22 | C23 | H30 | 120.1° | 117.5° |
| O5 | C20 | N4 | 120.7° | 120.0° |
| O5 | C20 | C19 | 121.8° | 119.9° |
| O6 | C28 | C25 | 125.5° | 125.1° |
| C28 | C25 | C26 | 108.4° | 104.3° |
| C28 | C25 | C24 | 106.1° | 110.5° |
| C28 | C25 | H33 | 109.9° | 110.4° |
| C26 | C25 | C24 | 113.5° | 110.5° |
| C26 | C25 | H33 | 109.8° | 110.5° |
| C25 | C26 | H34 | 109.9° | 110.9° |
| C25 | C26 | H35 | 109.9° | 110.9° |
| C22 | C21 | N4 | 116.6° | 117.5° |
| C22 | C21 | H26 | 116.9° | 117.4° |
| C21 | C22 | H27 | 119.9° | 117.5° |
| C21 | C22 | H28 | 119.9° | 117.5° |
| C21 | N4 | C20 | 120.4° | 120.0° |
| C21 | N4 | H25 | 119.8° | 120.0° |
| N4 | C21 | H26 | 117.7° | 115.6° |
| C25 | C24 | C18 | 109.5° | 109.5° |
| C25 | C24 | H31 | 109.5° | 109.5° |
| C25 | C24 | H32 | 109.5° | 109.5° |
| C24 | C25 | H33 | 109.0° | 110.5° |
| N4 | C20 | C19 | 117.5° | 120.1° |
| C20 | N4 | H25 | 119.8° | 120.0° |
| C20 | C19 | C18 | 111.4° | 109.5° |
| C20 | C19 | O4 | 101.9° | 109.5° |
| C20 | C19 | H23 | 111.8° | 109.5° |
| C24 | C18 | C19 | 110.0° | 109.5° |
| C24 | C18 | N3 | 112.0° | 109.5° |
| C24 | C18 | H22 | 110.5° | 109.4° |
| C18 | C24 | H31 | 109.5° | 109.5° |
| C18 | C24 | H32 | 109.5° | 109.4° |
| C19 | C18 | N3 | 103.0° | 109.5° |
| C18 | C19 | O4 | 105.3° | 109.5° |
| C19 | C18 | H22 | 110.0° | 109.5° |
| C18 | C19 | H23 | 112.0° | 109.5° |
| C18 | N3 | C17 | 119.7° | 120.0° |
| C18 | N3 | H21 | 120.2° | 120.0° |
| N3 | C18 | H22 | 111.2° | 109.5° |
| O4 | C19 | H23 | 113.9° | 109.4° |
| C19 | O4 | H24 | 109.5° | 114.0° |
| O7 | C17 | N3 | 120.5° | 120.0° |
| O7 | C17 | C4 | 123.8° | 120.0° |
| N3 | C17 | C4 | 115.6° | 120.0° |
| C17 | N3 | H21 | 120.1° | 120.0° |
| O3 | C5 | C6 | 130.8° | 125.0° |
| O3 | C5 | N1 | 121.6° | 124.9° |
| C17 | C4 | N1 | 107.8° | 109.4° |
| C17 | C4 | C3 | 107.9° | 109.5° |
| C17 | C4 | H7 | 109.2° | 109.5° |
| C6 | C5 | N1 | 107.5° | 110.1° |
| C5 | C6 | C7 | 101.2° | 104.2° |
| C5 | C6 | H8 | 111.5° | 110.5° |
| C5 | C6 | H9 | 111.5° | 110.5° |
| C5 | N1 | C4 | 119.1° | 124.4° |
| C5 | N1 | C16 | 112.4° | 111.3° |
| C6 | C7 | C16 | 110.1° | 101.8° |
| C6 | C7 | N2 | 112.3° | 110.9° |
| C7 | C6 | H8 | 111.5° | 110.5° |
| C7 | C6 | H9 | 111.5° | 110.5° |
| C6 | C7 | H10 | 109.8° | 111.0° |
| C13 | C14 | C15 | 122.5° | 120.0° |
| C14 | C13 | C12 | 118.8° | 120.0° |
| C14 | C13 | H16 | 120.6° | 120.1° |
| C13 | C14 | H17 | 118.7° | 120.0° |
| C14 | C15 | C10 | 119.7° | 120.0° |
| C15 | C14 | H17 | 118.8° | 120.0° |
| C14 | C15 | H18 | 120.1° | 120.0° |
| C13 | C12 | C11 | 119.4° | 120.0° |
| C13 | C12 | H15 | 120.3° | 120.0° |
| C12 | C13 | H16 | 120.6° | 120.0° |
| N1 | C4 | C3 | 112.6° | 109.5° |
| C4 | N1 | C16 | 128.5° | 124.3° |
| N1 | C4 | H7 | 110.1° | 109.5° |
| C4 | C3 | C2 | 112.3° | 109.5° |
| C4 | C3 | H5 | 108.7° | 109.5° |
| C4 | C3 | H6 | 108.7° | 109.5° |
| C3 | C4 | H7 | 109.2° | 109.5° |
| N1 | C16 | C7 | 103.5° | 105.6° |
| N1 | C16 | H19 | 111.0° | 110.3° |
| N1 | C16 | H20 | 111.0° | 110.3° |
| C16 | C7 | N2 | 104.0° | 111.1° |
| C16 | C7 | H10 | 109.9° | 110.8° |
| C7 | C16 | H19 | 110.9° | 110.3° |
| C7 | C16 | H20 | 110.9° | 110.1° |
| C7 | N2 | C8 | 121.4° | 120.0° |
| N2 | C7 | H10 | 110.6° | 110.9° |
| C7 | N2 | H11 | 119.3° | 120.0° |
| O2 | C8 | N2 | 123.2° | 120.1° |
| O2 | C8 | O1 | 123.6° | 120.0° |
| C15 | C10 | C11 | 117.2° | 120.0° |
| C15 | C10 | C9 | 124.0° | 120.0° |
| C10 | C15 | H18 | 120.2° | 120.0° |
| C12 | C11 | C10 | 122.3° | 119.9° |
| C12 | C11 | H14 | 118.9° | 120.0° |
| C11 | C12 | H15 | 120.3° | 120.0° |
| C3 | C2 | C29 | 108.6° | 109.5° |
| C3 | C2 | C1 | 108.4° | 109.4° |
| C3 | C2 | H4 | 109.7° | 109.4° |
| C2 | C3 | H5 | 108.7° | 109.5° |
| C2 | C3 | H6 | 108.8° | 109.5° |
| N2 | C8 | O1 | 113.2° | 120.0° |
| C8 | N2 | H11 | 119.3° | 120.1° |
| C8 | O1 | C9 | 116.3° | 117.0° |
| C11 | C10 | C9 | 118.7° | 120.0° |
| C10 | C11 | H14 | 118.8° | 120.0° |
| C10 | C9 | O1 | 115.1° | 109.5° |
| C10 | C9 | H12 | 108.1° | 109.5° |
| C10 | C9 | H13 | 108.0° | 109.5° |
| C29 | C2 | C1 | 111.1° | 109.5° |
| C29 | C2 | H4 | 109.6° | 109.5° |
| C2 | C29 | H39 | 109.5° | 109.4° |
| C2 | C29 | H40 | 109.5° | 109.5° |
| C2 | C29 | H41 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| O1 | C9 | H12 | 108.1° | 109.5° |
| O1 | C9 | H13 | 108.1° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 110.5° |
| H12 | C9 | H13 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.5° | 110.3° |
| H27 | C22 | H28 | 109.5° | 115.6° |
| H29 | C23 | H30 | 109.5° | 115.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.5° | 110.9° |
| H36 | C27 | H37 | 109.5° | 110.1° |
| H39 | C29 | H40 | 109.4° | 109.5° |
| H39 | C29 | H41 | 109.4° | 109.5° |
| H40 | C29 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | N5 | C28 | H38 | 180.0° | 179.9° |
| N5 | C27 | C26 | H36 | 119.2° | 119.0° |
| N5 | C27 | C26 | H37 | 119.2° | 119.1° |
| C27 | N5 | C28 | O6 | 176.7° | 179.6° |
| C27 | N5 | C28 | C25 | 1.4° | 0.6° |
| N5 | C27 | C26 | C25 | 14.0° | 25.4° |
| N5 | C27 | C26 | H34 | 133.7° | 92.7° |
| N5 | C27 | C26 | H35 | 105.8° | 143.5° |
| N5 | C27 | H36 | H37 | 122.3° | 121.9° |
| C28 | N5 | C27 | C26 | 7.8° | 17.1° |
| N5 | C28 | O6 | C25 | 174.5° | 179.8° |
| N5 | C28 | C25 | C26 | 10.3° | 16.1° |
| N5 | C28 | C25 | C24 | 132.6° | 134.8° |
| N5 | C28 | C25 | H33 | 109.6° | 102.6° |
| C28 | N5 | C27 | H36 | 111.4° | 136.2° |
| C28 | N5 | C27 | H37 | 127.0° | 102.0° |
| C27 | C26 | C25 | C28 | 15.4° | 24.7° |
| C27 | C26 | C25 | H34 | 119.7° | 118.1° |
| C27 | C26 | C25 | H35 | 119.7° | 118.2° |
| C27 | C26 | C25 | C24 | 133.0° | 143.4° |
| C27 | C26 | C25 | H33 | 104.7° | 94.0° |
| C27 | C26 | H34 | H35 | 120.8° | 123.9° |
| C26 | C27 | H36 | H37 | 122.2° | 122.0° |
| C26 | C27 | N5 | H38 | 172.2° | 163.0° |
| C21 | C23 | C22 | H29 | 109.3° | 107.5° |
| C21 | C23 | C22 | H30 | 109.3° | 107.5° |
| C23 | C21 | C22 | N4 | 106.4° | 107.5° |
| C23 | C21 | C22 | H26 | 106.7° | 107.5° |
| C23 | C21 | N4 | H26 | 145.2° | 145.8° |
| C23 | C21 | N4 | C20 | 100.7° | 136.4° |
| C23 | C21 | N4 | H25 | 79.3° | 43.6° |
| C21 | C23 | C22 | H27 | 109.6° | 107.4° |
| C21 | C23 | C22 | H28 | 109.6° | 107.5° |
| C21 | C23 | H29 | H30 | 145.2° | 145.7° |
| C23 | C22 | H27 | H28 | 144.4° | 145.8° |
| C22 | C23 | H29 | H30 | 145.1° | 145.6° |
| O5 | C20 | N4 | C21 | 4.9° | 0.0° |
| O5 | C20 | N4 | C19 | 179.9° | 180.0° |
| O5 | C20 | C19 | C18 | 72.4° | 115.0° |
| O5 | C20 | C19 | O4 | 175.8° | 5.0° |
| O5 | C20 | C19 | H23 | 53.7° | 125.0° |
| O5 | C20 | N4 | H25 | 175.1° | 180.0° |
| O6 | C28 | C25 | C26 | 174.3° | 163.8° |
| O6 | C28 | C25 | C24 | 52.0° | 45.0° |
| O6 | C28 | C25 | H33 | 65.8° | 77.5° |
| O6 | C28 | N5 | H38 | 3.3° | 0.3° |
| C28 | C25 | C26 | C24 | 117.6° | 118.7° |
| C28 | C25 | C26 | H33 | 120.1° | 118.7° |
| C28 | C25 | C24 | H33 | 118.4° | 122.5° |
| C28 | C25 | C24 | C18 | 174.9° | 70.7° |
| C28 | C25 | C24 | H31 | 65.1° | 49.3° |
| C28 | C25 | C24 | H32 | 54.9° | 169.3° |
| C28 | C25 | C26 | H34 | 135.1° | 93.4° |
| C28 | C25 | C26 | H35 | 104.3° | 142.9° |
| C25 | C28 | N5 | H38 | 178.6° | 179.5° |
| C26 | C25 | C24 | H33 | 122.7° | 122.6° |
| C26 | C25 | C24 | C18 | 66.2° | 174.4° |
| C26 | C25 | C24 | H31 | 53.8° | 65.6° |
| C26 | C25 | C24 | H32 | 173.8° | 54.4° |
| C25 | C26 | H34 | H35 | 120.8° | 123.7° |
| C25 | C26 | C27 | H36 | 105.3° | 144.4° |
| C25 | C26 | C27 | H37 | 133.2° | 93.7° |
| C22 | C21 | N4 | H26 | 146.7° | 145.6° |
| C22 | C21 | N4 | C20 | 168.9° | 155.0° |
| C22 | C21 | N4 | H25 | 11.1° | 25.0° |
| C21 | C22 | H27 | H28 | 144.5° | 145.7° |
| C21 | N4 | C20 | H25 | 180.0° | 180.0° |
| C21 | N4 | C20 | C19 | 175.0° | 180.0° |
| N4 | C21 | C22 | H27 | 3.2° | 145.0° |
| N4 | C21 | C22 | H28 | 144.0° | 0.0° |
| N4 | C21 | C23 | H29 | 2.2° | 0.1° |
| N4 | C21 | C23 | H30 | 143.7° | 145.0° |
| C25 | C24 | C18 | H31 | 120.0° | 120.1° |
| C25 | C24 | C18 | H32 | 120.0° | 120.0° |
| C25 | C24 | C18 | C19 | 179.5° | 64.9° |
| C25 | C24 | C18 | N3 | 65.6° | 175.1° |
| C25 | C24 | C18 | H22 | 58.9° | 55.1° |
| C25 | C24 | H31 | H32 | 120.0° | 120.0° |
| C24 | C25 | C26 | H34 | 107.3° | 25.3° |
| C24 | C25 | C26 | H35 | 13.3° | 98.4° |
| N4 | C20 | C19 | C18 | 107.7° | 65.0° |
| N4 | C20 | C19 | O4 | 4.2° | 175.0° |
| N4 | C20 | C19 | H23 | 126.2° | 55.0° |
| C20 | N4 | C21 | H26 | 44.5° | 9.4° |
| C20 | C19 | C18 | C24 | 79.5° | 179.9° |
| C20 | C19 | C18 | O4 | 109.6° | 120.1° |
| C20 | C19 | C18 | H23 | 126.0° | 120.0° |
| C20 | C19 | C18 | N3 | 161.0° | 60.0° |
| C20 | C19 | O4 | H23 | 120.6° | 120.0° |
| C20 | C19 | C18 | H22 | 42.3° | 59.9° |
| C20 | C19 | O4 | H24 | 180.0° | 60.0° |
| C19 | C20 | N4 | H25 | 5.0° | 0.0° |
| C24 | C18 | C19 | N3 | 119.5° | 120.0° |
| C24 | C18 | C19 | H22 | 121.9° | 120.0° |
| C24 | C18 | N3 | H22 | 124.1° | 120.0° |
| C24 | C18 | C19 | O4 | 170.9° | 60.0° |
| C24 | C18 | N3 | C17 | 123.3° | 87.6° |
| C24 | C18 | N3 | H21 | 56.7° | 92.5° |
| C24 | C18 | C19 | H23 | 46.5° | 60.0° |
| C18 | C24 | H31 | H32 | 120.0° | 120.0° |
| C18 | C24 | C25 | H33 | 56.5° | 51.8° |
| C19 | C18 | N3 | H22 | 117.8° | 120.0° |
| C18 | C19 | O4 | H23 | 123.1° | 120.0° |
| C19 | C18 | N3 | C17 | 118.6° | 152.4° |
| C19 | C18 | N3 | H21 | 61.4° | 27.5° |
| C18 | C19 | O4 | H24 | 63.6° | 60.0° |
| C19 | C18 | C24 | H31 | 60.5° | 175.0° |
| C19 | C18 | C24 | H32 | 59.5° | 55.1° |
| N3 | C18 | C19 | O4 | 51.4° | 60.0° |
| C18 | N3 | C17 | O7 | 7.4° | 5.1° |
| C18 | N3 | C17 | H21 | 180.0° | 179.9° |
| C18 | N3 | C17 | C4 | 174.6° | 175.0° |
| N3 | C18 | C19 | H23 | 73.0° | 180.0° |
| N3 | C18 | C24 | H31 | 174.4° | 55.0° |
| N3 | C18 | C24 | H32 | 54.4° | 65.0° |
| O4 | C19 | C18 | H22 | 67.3° | 180.0° |
| O7 | C17 | N3 | C4 | 177.9° | 180.0° |
| O7 | C17 | C4 | N1 | 52.4° | 0.0° |
| O7 | C17 | C4 | C3 | 69.4° | 120.0° |
| O7 | C17 | C4 | H7 | 172.1° | 120.0° |
| O7 | C17 | N3 | H21 | 172.5° | 174.8° |
| N3 | C17 | C4 | N1 | 125.4° | 180.0° |
| N3 | C17 | C4 | C3 | 112.7° | 60.0° |
| N3 | C17 | C4 | H7 | 5.8° | 60.0° |
| C17 | N3 | C18 | H22 | 0.9° | 32.3° |
| O3 | C5 | C6 | N1 | 177.5° | 179.9° |
| O3 | C5 | C6 | C7 | 163.6° | 163.8° |
| O3 | C5 | N1 | C4 | 1.9° | 0.5° |
| O3 | C5 | N1 | C16 | 176.9° | 179.8° |
| O3 | C5 | C6 | H8 | 77.8° | 77.5° |
| O3 | C5 | C6 | H9 | 44.9° | 45.1° |
| C17 | C4 | N1 | C5 | 59.0° | 61.5° |
| C17 | C4 | N1 | C3 | 118.9° | 120.0° |
| C17 | C4 | N1 | H7 | 119.1° | 120.0° |
| C17 | C4 | C3 | H7 | 118.6° | 120.0° |
| C17 | C4 | N1 | C16 | 119.6° | 118.8° |
| C17 | C4 | C3 | C2 | 157.5° | 175.3° |
| C17 | C4 | C3 | H5 | 82.1° | 55.3° |
| C17 | C4 | C3 | H6 | 37.0° | 64.6° |
| C4 | C17 | N3 | H21 | 5.4° | 5.1° |
| C5 | C6 | C7 | H8 | 118.7° | 118.6° |
| C5 | C6 | C7 | H9 | 118.6° | 118.7° |
| C6 | C5 | N1 | C4 | 179.7° | 179.6° |
| C6 | C5 | N1 | C16 | 0.8° | 0.1° |
| C5 | C6 | C7 | C16 | 22.4° | 24.6° |
| C5 | C6 | C7 | N2 | 137.8° | 142.9° |
| C5 | C6 | H8 | H9 | 123.8° | 122.6° |
| C5 | C6 | C7 | H10 | 98.7° | 93.3° |
| N1 | C5 | C6 | C7 | 14.0° | 16.3° |
| C5 | N1 | C4 | C16 | 178.6° | 179.7° |
| C5 | N1 | C4 | C3 | 177.8° | 58.5° |
| C5 | N1 | C16 | C7 | 12.9° | 16.6° |
| C5 | N1 | C4 | H7 | 60.1° | 178.5° |
| N1 | C5 | C6 | H8 | 104.7° | 102.4° |
| N1 | C5 | C6 | H9 | 132.6° | 135.0° |
| C5 | N1 | C16 | H19 | 131.9° | 135.7° |
| C5 | N1 | C16 | H20 | 106.2° | 102.2° |
| C6 | C7 | C16 | N1 | 22.4° | 25.1° |
| C6 | C7 | C16 | N2 | 120.5° | 118.2° |
| C6 | C7 | C16 | H10 | 121.1° | 118.1° |
| C6 | C7 | N2 | H10 | 123.0° | 123.8° |
| C6 | C7 | N2 | C8 | 105.1° | 86.4° |
| C7 | C6 | H8 | H9 | 123.9° | 122.7° |
| C6 | C7 | N2 | H11 | 74.9° | 93.5° |
| C6 | C7 | C16 | H19 | 141.5° | 144.2° |
| C6 | C7 | C16 | H20 | 96.6° | 93.9° |
| C13 | C14 | C15 | H17 | 180.0° | 179.6° |
| C14 | C13 | C12 | H16 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 2.3° | 0.7° |
| C14 | C13 | C12 | C11 | 0.5° | 0.1° |
| C14 | C13 | C12 | H15 | 179.5° | 180.0° |
| C13 | C14 | C15 | H18 | 177.7° | 180.0° |
| C15 | C14 | C13 | C12 | 1.7° | 0.4° |
| C14 | C15 | C10 | H18 | 180.0° | 179.4° |
| C14 | C15 | C10 | C11 | 1.7° | 0.7° |
| C14 | C15 | C10 | C9 | 178.5° | 179.7° |
| C15 | C14 | C13 | H16 | 178.3° | 179.7° |
| C13 | C12 | C11 | H15 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H17 | 178.3° | 180.0° |
| N1 | C4 | C3 | H7 | 122.6° | 120.0° |
| C4 | N1 | C16 | C7 | 165.8° | 163.1° |
| N1 | C4 | C3 | C2 | 83.7° | 64.7° |
| N1 | C4 | C3 | H5 | 36.7° | 175.3° |
| N1 | C4 | C3 | H6 | 155.8° | 55.4° |
| C4 | N1 | C16 | H19 | 46.8° | 44.0° |
| C4 | N1 | C16 | H20 | 75.2° | 78.0° |
| C3 | C4 | N1 | C16 | 0.8° | 121.2° |
| C4 | C3 | C2 | H5 | 120.4° | 120.0° |
| C4 | C3 | C2 | H6 | 120.4° | 120.0° |
| C4 | C3 | C2 | C29 | 61.7° | 173.3° |
| C4 | C3 | C2 | C1 | 177.5° | 66.6° |
| C4 | C3 | C2 | H4 | 58.0° | 53.3° |
| C4 | C3 | H5 | H6 | 118.7° | 120.0° |
| N1 | C16 | C7 | H19 | 119.1° | 119.1° |
| N1 | C16 | C7 | H20 | 119.1° | 119.0° |
| N1 | C16 | C7 | N2 | 143.0° | 143.3° |
| C16 | N1 | C4 | H7 | 121.3° | 1.2° |
| N1 | C16 | C7 | H10 | 98.6° | 93.0° |
| N1 | C16 | H19 | H20 | 122.8° | 122.1° |
| C16 | C7 | N2 | H10 | 117.9° | 123.7° |
| C16 | C7 | N2 | C8 | 135.8° | 161.0° |
| C16 | C7 | C6 | H8 | 96.3° | 94.0° |
| C16 | C7 | C6 | H9 | 141.0° | 143.3° |
| C16 | C7 | N2 | H11 | 44.2° | 19.0° |
| C7 | C16 | H19 | H20 | 122.7° | 121.8° |
| C7 | N2 | C8 | O2 | 9.2° | 0.0° |
| C7 | N2 | C8 | H11 | 180.0° | 180.0° |
| C7 | N2 | C8 | O1 | 173.6° | 180.0° |
| N2 | C7 | C6 | H8 | 19.1° | 24.3° |
| N2 | C7 | C6 | H9 | 103.6° | 98.4° |
| N2 | C7 | C16 | H19 | 98.0° | 97.6° |
| N2 | C7 | C16 | H20 | 23.9° | 24.3° |
| O2 | C8 | N2 | O1 | 177.2° | 180.0° |
| O2 | C8 | O1 | C9 | 3.8° | 0.0° |
| O2 | C8 | N2 | H11 | 170.8° | 180.0° |
| C15 | C10 | C11 | C12 | 0.6° | 0.4° |
| C15 | C10 | C11 | C9 | 179.8° | 179.7° |
| C15 | C10 | C9 | O1 | 9.6° | 90.3° |
| C15 | C10 | C9 | H12 | 130.4° | 149.7° |
| C15 | C10 | C9 | H13 | 111.2° | 29.7° |
| C15 | C10 | C11 | H14 | 179.4° | 179.7° |
| C10 | C15 | C14 | H17 | 177.7° | 179.7° |
| C12 | C11 | C10 | H14 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 179.6° | 180.0° |
| C11 | C12 | C13 | H16 | 179.5° | 180.0° |
| C3 | C2 | C29 | C1 | 119.1° | 120.0° |
| C3 | C2 | C29 | H4 | 119.8° | 120.0° |
| C3 | C2 | C1 | H4 | 119.6° | 119.9° |
| C3 | C2 | C1 | H1 | 180.0° | 60.1° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C2 | C3 | H5 | H6 | 118.7° | 120.0° |
| C2 | C3 | C4 | H7 | 38.9° | 55.3° |
| C3 | C2 | C29 | H39 | 180.0° | 55.1° |
| C3 | C2 | C29 | H40 | 60.0° | 175.1° |
| C3 | C2 | C29 | H41 | 60.0° | 64.9° |
| N2 | C8 | O1 | C9 | 179.1° | 180.0° |
| C8 | N2 | C7 | H10 | 17.9° | 37.4° |
| C8 | O1 | C9 | C10 | 77.8° | 180.0° |
| O1 | C8 | N2 | H11 | 6.4° | 0.0° |
| C8 | O1 | C9 | H12 | 161.4° | 60.0° |
| C8 | O1 | C9 | H13 | 43.0° | 60.0° |
| C11 | C10 | C9 | O1 | 170.2° | 90.0° |
| C11 | C10 | C9 | H12 | 49.4° | 30.0° |
| C11 | C10 | C9 | H13 | 68.9° | 150.0° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C11 | C10 | C15 | H18 | 178.4° | 180.0° |
| C10 | C9 | O1 | H12 | 120.8° | 120.0° |
| C10 | C9 | O1 | H13 | 120.8° | 120.0° |
| C10 | C9 | H12 | H13 | 117.4° | 120.0° |
| C9 | C10 | C11 | H14 | 0.4° | 0.0° |
| C9 | C10 | C15 | H18 | 1.5° | 0.3° |
| C29 | C2 | C1 | H4 | 121.2° | 120.0° |
| C29 | C2 | C1 | H1 | 60.8° | 60.0° |
| C29 | C2 | C1 | H2 | 179.2° | 180.0° |
| C29 | C2 | C1 | H3 | 59.2° | 60.0° |
| C29 | C2 | C3 | H5 | 177.9° | 66.6° |
| C29 | C2 | C3 | H6 | 58.7° | 53.3° |
| C2 | C29 | H39 | H40 | 120.0° | 120.0° |
| C2 | C29 | H39 | H41 | 120.0° | 120.0° |
| C2 | C29 | H40 | H41 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 57.1° | 53.4° |
| C1 | C2 | C3 | H6 | 62.1° | 173.3° |
| C1 | C2 | C29 | H39 | 60.9° | 64.9° |
| C1 | C2 | C29 | H40 | 59.1° | 55.1° |
| C1 | C2 | C29 | H41 | 179.1° | 175.1° |
| O1 | C9 | H12 | H13 | 117.5° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 60.4° | 180.0° |
| H2 | C1 | C2 | H4 | 59.6° | 59.9° |
| H3 | C1 | C2 | H4 | 179.6° | 60.1° |
| H4 | C2 | C3 | H5 | 62.4° | 173.4° |
| H4 | C2 | C3 | H6 | 178.4° | 66.7° |
| H4 | C2 | C29 | H39 | 60.2° | 175.1° |
| H4 | C2 | C29 | H40 | 179.8° | 64.9° |
| H4 | C2 | C29 | H41 | 59.7° | 55.1° |
| H5 | C3 | C4 | H7 | 159.3° | 64.8° |
| H6 | C3 | C4 | H7 | 81.5° | 175.3° |
| H8 | C6 | C7 | H10 | 142.6° | 148.0° |
| H9 | C6 | C7 | H10 | 19.9° | 25.4° |
| H10 | C7 | N2 | H11 | 162.1° | 142.7° |
| H10 | C7 | C16 | H19 | 20.4° | 26.1° |
| H10 | C7 | C16 | H20 | 142.3° | 148.0° |
| H14 | C11 | C12 | H15 | 0.0° | 0.0° |
| H15 | C12 | C13 | H16 | 0.5° | 0.1° |
| H16 | C13 | C14 | H17 | 1.7° | 0.1° |
| H17 | C14 | C15 | H18 | 2.3° | 0.3° |
| H21 | N3 | C18 | H22 | 179.2° | 147.6° |
| H22 | C18 | C19 | H23 | 168.4° | 60.0° |
| H22 | C18 | C24 | H31 | 61.1° | 64.9° |
| H22 | C18 | C24 | H32 | 179.0° | 175.1° |
| H23 | C19 | O4 | H24 | 59.5° | 180.0° |
| H25 | N4 | C21 | H26 | 135.5° | 170.6° |
| H26 | C21 | C22 | H27 | 143.7° | 0.0° |
| H26 | C21 | C22 | H28 | 2.9° | 145.0° |
| H26 | C21 | C23 | H29 | 143.4° | 145.0° |
| H26 | C21 | C23 | H30 | 1.9° | 0.1° |
| H27 | C22 | C23 | H29 | 0.4° | 145.1° |
| H27 | C22 | C23 | H30 | 141.1° | 0.1° |
| H28 | C22 | C23 | H29 | 141.1° | 0.1° |
| H28 | C22 | C23 | H30 | 0.4° | 145.0° |
| H31 | C24 | C25 | H33 | 176.5° | 171.8° |
| H32 | C24 | C25 | H33 | 63.5° | 68.2° |
| H33 | C25 | C26 | H34 | 15.0° | 147.9° |
| H33 | C25 | C26 | H35 | 135.6° | 24.2° |
| H34 | C26 | C27 | H36 | 14.5° | 26.3° |
| H34 | C26 | C27 | H37 | 107.1° | 148.2° |
| H35 | C26 | C27 | H36 | 135.0° | 97.5° |
| H35 | C26 | C27 | H37 | 13.5° | 24.4° |
| H36 | C27 | N5 | H38 | 68.5° | 43.9° |
| H37 | C27 | N5 | H38 | 53.0° | 77.9° |
| H39 | C29 | H40 | H41 | 120.0° | 120.1° |
