WT5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.49Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.46Å | |
| O4 | C6 | sing | 1.43Å | 1.38Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| N1 | C7 | sing | 1.47Å | 1.24Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C22 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.56Å | |
| C8 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.56Å | |
| C10 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C11 | sing | 1.40Å | 1.48Å | |
| C21 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| N4 | C20 | sing | 1.36Å | 1.33Å | Aromatic |
| N4 | C17 | sing | 1.37Å | 1.32Å | Aromatic |
| C20 | C19 | doub | 1.35Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.54Å | |
| C16 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.36Å | 1.41Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C19 | C18 | sing | 1.40Å | 1.37Å | Aromatic |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| O4 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 110.1° | 109.6° |
| O2 | C2 | C1 | 107.1° | 109.5° |
| O2 | C2 | H24 | 110.0° | 109.5° |
| C2 | O2 | H29 | 109.5° | 114.0° |
| O3 | C3 | C2 | 117.6° | 109.5° |
| O3 | C3 | C4 | 112.7° | 109.5° |
| O3 | C3 | H26 | 104.4° | 109.5° |
| C3 | O3 | H30 | 109.5° | 114.0° |
| C2 | C3 | C4 | 112.9° | 109.3° |
| C3 | C2 | C1 | 108.9° | 109.2° |
| C3 | C2 | H24 | 110.4° | 109.5° |
| C2 | C3 | H26 | 104.1° | 109.5° |
| C3 | C4 | N1 | 112.4° | 109.5° |
| C3 | C4 | H3 | 108.7° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.4° |
| C4 | C3 | H26 | 103.4° | 109.5° |
| C2 | C1 | O1 | 105.0° | 109.5° |
| C2 | C1 | C5 | 110.3° | 109.3° |
| C2 | C1 | H17 | 112.3° | 109.5° |
| C1 | C2 | H24 | 110.3° | 109.5° |
| O4 | C6 | C5 | 104.7° | 109.4° |
| O4 | C6 | H6 | 110.7° | 109.5° |
| O4 | C6 | H7 | 110.6° | 109.5° |
| C6 | O4 | H31 | 109.5° | 114.0° |
| O1 | C1 | C5 | 105.0° | 109.5° |
| O1 | C1 | H17 | 113.0° | 109.5° |
| C1 | O1 | H28 | 109.5° | 114.0° |
| C1 | C5 | N1 | 114.4° | 109.5° |
| C1 | C5 | C6 | 110.5° | 109.5° |
| C1 | C5 | H5 | 107.4° | 109.4° |
| C5 | C1 | H17 | 111.0° | 109.5° |
| C4 | N1 | C5 | 109.2° | 111.2° |
| C4 | N1 | C7 | 108.9° | 111.0° |
| N1 | C4 | H3 | 108.7° | 109.5° |
| N1 | C4 | H4 | 108.8° | 109.4° |
| C5 | N1 | C7 | 107.8° | 111.0° |
| N1 | C5 | C6 | 108.0° | 109.4° |
| N1 | C5 | H5 | 108.6° | 109.4° |
| N1 | C7 | C8 | 113.9° | 109.5° |
| N1 | C7 | H8 | 108.4° | 109.5° |
| N1 | C7 | H9 | 108.3° | 109.4° |
| C24 | C23 | C22 | 116.4° | 118.4° |
| C23 | C24 | C8 | 120.6° | 119.2° |
| C23 | C24 | H16 | 119.7° | 120.4° |
| C24 | C23 | H25 | 121.8° | 120.8° |
| C23 | C22 | C9 | 121.3° | 119.1° |
| C23 | C22 | H15 | 119.3° | 120.4° |
| C22 | C23 | H25 | 121.8° | 120.7° |
| C24 | C8 | C7 | 117.0° | 119.7° |
| C24 | C8 | N2 | 121.2° | 120.7° |
| C8 | C24 | H16 | 119.7° | 120.3° |
| C6 | C5 | H5 | 107.8° | 109.5° |
| C5 | C6 | H6 | 110.6° | 109.5° |
| C5 | C6 | H7 | 110.7° | 109.5° |
| C22 | C9 | N2 | 119.7° | 120.8° |
| C22 | C9 | C10 | 119.2° | 119.6° |
| C9 | C22 | H15 | 119.4° | 120.4° |
| C7 | C8 | N2 | 121.8° | 119.6° |
| C8 | C7 | H8 | 108.4° | 109.5° |
| C8 | C7 | H9 | 108.4° | 109.5° |
| C8 | N2 | C9 | 120.8° | 121.7° |
| N2 | C9 | C10 | 121.1° | 119.6° |
| C9 | C10 | N3 | 115.8° | 109.5° |
| C9 | C10 | H10 | 107.9° | 109.5° |
| C9 | C10 | H11 | 107.9° | 109.5° |
| C10 | N3 | C11 | 119.2° | 120.0° |
| C10 | N3 | H2 | 107.0° | 120.0° |
| N3 | C10 | H10 | 107.9° | 109.5° |
| N3 | C10 | H11 | 107.9° | 109.4° |
| N3 | C11 | C21 | 120.6° | 120.0° |
| N3 | C11 | C12 | 119.0° | 120.0° |
| C11 | N3 | H2 | 107.0° | 120.0° |
| C11 | C21 | C16 | 118.5° | 119.8° |
| C21 | C11 | C12 | 120.4° | 120.0° |
| C11 | C21 | H14 | 120.7° | 120.2° |
| C21 | C16 | C17 | 123.1° | 120.1° |
| C21 | C16 | C15 | 120.0° | 119.8° |
| C16 | C21 | H14 | 120.7° | 120.1° |
| C11 | C12 | C13 | 120.3° | 120.2° |
| C11 | C12 | H18 | 119.9° | 119.9° |
| C20 | N4 | C17 | 108.9° | 108.6° |
| N4 | C20 | C19 | 109.4° | 108.5° |
| N4 | C20 | H13 | 125.3° | 125.8° |
| C20 | N4 | H27 | 125.5° | 125.7° |
| N4 | C17 | C16 | 126.9° | 126.1° |
| N4 | C17 | C18 | 109.1° | 107.9° |
| C17 | N4 | H27 | 125.5° | 125.6° |
| C20 | C19 | C18 | 106.3° | 107.7° |
| C19 | C20 | H13 | 125.3° | 125.7° |
| C20 | C19 | H23 | 126.9° | 126.2° |
| C17 | C16 | C15 | 116.8° | 120.1° |
| C16 | C17 | C18 | 124.0° | 126.0° |
| C16 | C15 | C13 | 122.7° | 120.0° |
| C16 | C15 | H12 | 118.6° | 120.0° |
| C12 | C13 | C15 | 118.0° | 120.2° |
| C12 | C13 | C14 | 122.7° | 119.9° |
| C13 | C12 | H18 | 119.8° | 119.9° |
| C17 | C18 | C19 | 106.2° | 107.3° |
| C17 | C18 | H22 | 126.9° | 126.3° |
| C15 | C13 | C14 | 119.3° | 119.9° |
| C13 | C15 | H12 | 118.6° | 120.0° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C19 | C18 | H22 | 126.9° | 126.4° |
| C18 | C19 | H23 | 126.8° | 126.1° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.4° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | O3 | 51.2° | 62.5° |
| O2 | C2 | C3 | C1 | 117.2° | 119.9° |
| O2 | C2 | C3 | H24 | 121.6° | 120.2° |
| O2 | C2 | C3 | C4 | 175.0° | 177.6° |
| O2 | C2 | C1 | H24 | 119.7° | 120.1° |
| O2 | C2 | C1 | O1 | 72.0° | 62.4° |
| O2 | C2 | C1 | C5 | 175.4° | 177.6° |
| O2 | C2 | C1 | H17 | 51.1° | 57.7° |
| O2 | C2 | C3 | H26 | 63.6° | 57.6° |
| O3 | C3 | C2 | C4 | 133.8° | 120.0° |
| O3 | C3 | C2 | H26 | 114.9° | 120.1° |
| O3 | C3 | C4 | H26 | 112.1° | 120.1° |
| O3 | C3 | C2 | C1 | 168.4° | 177.6° |
| O3 | C3 | C4 | N1 | 167.7° | 179.2° |
| O3 | C3 | C4 | H3 | 47.2° | 59.1° |
| O3 | C3 | C4 | H4 | 71.9° | 60.9° |
| O3 | C3 | C2 | H24 | 70.4° | 57.7° |
| C2 | C3 | C4 | H26 | 111.8° | 119.9° |
| C3 | C2 | C1 | H24 | 121.3° | 119.9° |
| C3 | C2 | C1 | O1 | 168.9° | 177.6° |
| C3 | C2 | C1 | C5 | 56.3° | 57.6° |
| C2 | C3 | C4 | N1 | 56.3° | 59.2° |
| C2 | C3 | C4 | H3 | 176.7° | 60.8° |
| C2 | C3 | C4 | H4 | 64.2° | 179.2° |
| C3 | C2 | C1 | H17 | 68.0° | 62.3° |
| C3 | C2 | O2 | H29 | 180.0° | 60.3° |
| C2 | C3 | O3 | H30 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 57.8° | 57.6° |
| C3 | C4 | N1 | H3 | 120.4° | 120.0° |
| C3 | C4 | N1 | H4 | 120.4° | 120.0° |
| C3 | C4 | N1 | C5 | 51.2° | 61.7° |
| C3 | C4 | N1 | C7 | 168.6° | 174.2° |
| C3 | C4 | H3 | H4 | 118.7° | 120.0° |
| C4 | C3 | C2 | H24 | 63.4° | 62.2° |
| C4 | C3 | O3 | H30 | 46.1° | 60.1° |
| C2 | C1 | O1 | C5 | 116.3° | 119.8° |
| C2 | C1 | O1 | H17 | 122.7° | 120.1° |
| C2 | C1 | C5 | H17 | 125.1° | 119.9° |
| C2 | C1 | C5 | N1 | 56.4° | 59.1° |
| C2 | C1 | C5 | C6 | 178.6° | 179.2° |
| C2 | C1 | C5 | H5 | 64.1° | 60.8° |
| C1 | C2 | C3 | H26 | 53.6° | 62.3° |
| C2 | C1 | O1 | H28 | 180.0° | 60.2° |
| C1 | C2 | O2 | H29 | 61.7° | 179.9° |
| O4 | C6 | C5 | C1 | 68.1° | 56.6° |
| O4 | C6 | C5 | N1 | 57.7° | 63.5° |
| O4 | C6 | C5 | H6 | 119.2° | 120.0° |
| O4 | C6 | C5 | H7 | 119.2° | 120.0° |
| O4 | C6 | C5 | H5 | 174.8° | 176.6° |
| O4 | C6 | H6 | H7 | 122.2° | 120.0° |
| O1 | C1 | C5 | H17 | 122.4° | 120.1° |
| O1 | C1 | C5 | N1 | 169.0° | 179.1° |
| O1 | C1 | C5 | C6 | 68.9° | 60.8° |
| O1 | C1 | C5 | H5 | 48.4° | 59.2° |
| O1 | C1 | C2 | H24 | 47.6° | 57.7° |
| C1 | C5 | N1 | C4 | 52.5° | 61.7° |
| C1 | C5 | N1 | C6 | 123.5° | 120.1° |
| C1 | C5 | N1 | H5 | 119.9° | 120.0° |
| C1 | C5 | N1 | C7 | 170.6° | 174.2° |
| C1 | C5 | C6 | H5 | 117.1° | 120.0° |
| C1 | C5 | C6 | H6 | 51.1° | 176.6° |
| C1 | C5 | C6 | H7 | 172.7° | 63.4° |
| C5 | C1 | C2 | H24 | 64.9° | 62.3° |
| C5 | C1 | O1 | H28 | 63.7° | 179.9° |
| C4 | N1 | C5 | C7 | 118.1° | 124.1° |
| C4 | N1 | C5 | C6 | 176.0° | 178.2° |
| C4 | N1 | C7 | C8 | 47.1° | 61.4° |
| N1 | C4 | H3 | H4 | 118.7° | 120.0° |
| C4 | N1 | C5 | H5 | 67.4° | 58.3° |
| C4 | N1 | C7 | H8 | 73.5° | 58.6° |
| C4 | N1 | C7 | H9 | 167.8° | 178.6° |
| N1 | C4 | C3 | H26 | 55.5° | 60.7° |
| N1 | C5 | C6 | H5 | 117.1° | 119.9° |
| C5 | N1 | C7 | C8 | 165.4° | 174.4° |
| C5 | N1 | C4 | H3 | 171.7° | 58.3° |
| C5 | N1 | C4 | H4 | 69.2° | 178.3° |
| N1 | C5 | C6 | H6 | 177.0° | 56.5° |
| N1 | C5 | C6 | H7 | 61.5° | 176.5° |
| C5 | N1 | C7 | H8 | 44.8° | 65.5° |
| C5 | N1 | C7 | H9 | 73.9° | 54.4° |
| N1 | C5 | C1 | H17 | 68.6° | 60.8° |
| N1 | C7 | C8 | C24 | 79.4° | 95.3° |
| C7 | N1 | C5 | C6 | 65.9° | 54.1° |
| N1 | C7 | C8 | H8 | 120.6° | 120.1° |
| N1 | C7 | C8 | H9 | 120.6° | 120.0° |
| N1 | C7 | C8 | N2 | 98.6° | 85.0° |
| C7 | N1 | C4 | H3 | 70.9° | 65.8° |
| C7 | N1 | C4 | H4 | 48.2° | 54.2° |
| C7 | N1 | C5 | H5 | 50.7° | 65.8° |
| N1 | C7 | H8 | H9 | 118.0° | 119.9° |
| C24 | C23 | C22 | H25 | 180.0° | 180.0° |
| C23 | C24 | C8 | H16 | 180.0° | 180.0° |
| C24 | C23 | C22 | C9 | 0.9° | 0.2° |
| C23 | C24 | C8 | C7 | 178.1° | 180.0° |
| C23 | C24 | C8 | N2 | 0.0° | 0.3° |
| C24 | C23 | C22 | H15 | 179.1° | 180.0° |
| C22 | C23 | C24 | C8 | 0.1° | 0.0° |
| C23 | C22 | C9 | H15 | 180.0° | 179.8° |
| C23 | C22 | C9 | N2 | 2.2° | 0.2° |
| C23 | C22 | C9 | C10 | 178.7° | 179.8° |
| C22 | C23 | C24 | H16 | 179.8° | 180.0° |
| C24 | C8 | C7 | N2 | 178.1° | 179.7° |
| C24 | C8 | N2 | C9 | 1.3° | 0.3° |
| C24 | C8 | C7 | H8 | 159.9° | 24.8° |
| C24 | C8 | C7 | H9 | 41.2° | 144.7° |
| C8 | C24 | C23 | H25 | 179.9° | 180.0° |
| C5 | C6 | H6 | H7 | 122.2° | 120.0° |
| C6 | C5 | C1 | H17 | 53.5° | 59.2° |
| C5 | C6 | O4 | H31 | 180.0° | 179.9° |
| C22 | C9 | N2 | C8 | 2.4° | 0.1° |
| C22 | C9 | N2 | C10 | 179.0° | 179.9° |
| C22 | C9 | C10 | N3 | 12.9° | 95.0° |
| C22 | C9 | C10 | H10 | 108.1° | 25.0° |
| C22 | C9 | C10 | H11 | 133.8° | 145.1° |
| C9 | C22 | C23 | H25 | 179.0° | 179.8° |
| C7 | C8 | N2 | C9 | 176.7° | 180.0° |
| C8 | C7 | H8 | H9 | 118.0° | 120.0° |
| C7 | C8 | C24 | H16 | 1.9° | 0.0° |
| C8 | N2 | C9 | C10 | 178.6° | 180.0° |
| N2 | C8 | C7 | H8 | 22.0° | 154.9° |
| N2 | C8 | C7 | H9 | 140.8° | 35.0° |
| N2 | C8 | C24 | H16 | 180.0° | 179.7° |
| N2 | C9 | C10 | N3 | 166.2° | 85.0° |
| N2 | C9 | C10 | H10 | 72.9° | 155.0° |
| N2 | C9 | C10 | H11 | 45.3° | 35.0° |
| N2 | C9 | C22 | H15 | 177.8° | 180.0° |
| C9 | C10 | N3 | H10 | 120.9° | 120.0° |
| C9 | C10 | N3 | H11 | 120.9° | 120.0° |
| C9 | C10 | N3 | C11 | 76.4° | 180.0° |
| C9 | C10 | N3 | H2 | 45.0° | 0.1° |
| C9 | C10 | H10 | H11 | 117.1° | 120.0° |
| C10 | C9 | C22 | H15 | 1.3° | 0.0° |
| C10 | N3 | C11 | H2 | 121.4° | 179.9° |
| C10 | N3 | C11 | C21 | 172.3° | 179.9° |
| C10 | N3 | C11 | C12 | 6.8° | 0.3° |
| N3 | C10 | H10 | H11 | 117.1° | 119.9° |
| N3 | C11 | C21 | C12 | 179.1° | 179.7° |
| N3 | C11 | C21 | C16 | 179.6° | 180.0° |
| N3 | C11 | C12 | C13 | 179.7° | 179.7° |
| C11 | N3 | C10 | H10 | 162.7° | 60.0° |
| C11 | N3 | C10 | H11 | 44.5° | 60.0° |
| N3 | C11 | C21 | H14 | 0.4° | 0.3° |
| N3 | C11 | C12 | H18 | 0.3° | 0.3° |
| C11 | C21 | C16 | H14 | 180.0° | 179.7° |
| C11 | C21 | C16 | C17 | 178.2° | 180.0° |
| C11 | C21 | C16 | C15 | 0.5° | 0.3° |
| C21 | C11 | C12 | C13 | 0.5° | 0.0° |
| C21 | C11 | N3 | H2 | 50.9° | 0.0° |
| C21 | C11 | C12 | H18 | 179.5° | 179.9° |
| C16 | C21 | C11 | C12 | 0.5° | 0.3° |
| C21 | C16 | C17 | N4 | 9.8° | 0.4° |
| C21 | C16 | C17 | C15 | 177.8° | 179.7° |
| C21 | C16 | C17 | C18 | 167.6° | 180.0° |
| C21 | C16 | C15 | C13 | 1.6° | 0.1° |
| C21 | C16 | C15 | H12 | 178.4° | 180.0° |
| C11 | C12 | C13 | H18 | 180.0° | 180.0° |
| C11 | C12 | C13 | C15 | 0.5° | 0.3° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C12 | C11 | N3 | H2 | 128.2° | 179.7° |
| C12 | C11 | C21 | H14 | 179.5° | 180.0° |
| C20 | N4 | C17 | H27 | 180.0° | 179.5° |
| N4 | C20 | C19 | H13 | 180.0° | 179.7° |
| C20 | N4 | C17 | C16 | 179.6° | 179.8° |
| C20 | N4 | C17 | C18 | 1.9° | 0.5° |
| N4 | C20 | C19 | C18 | 0.6° | 0.4° |
| N4 | C20 | C19 | H23 | 179.4° | 180.0° |
| C17 | N4 | C20 | C19 | 1.6° | 0.5° |
| N4 | C17 | C16 | C18 | 177.3° | 179.6° |
| N4 | C17 | C16 | C15 | 172.4° | 179.9° |
| N4 | C17 | C18 | C19 | 1.5° | 0.3° |
| C17 | N4 | C20 | H13 | 178.4° | 179.8° |
| N4 | C17 | C18 | H22 | 178.5° | 179.7° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C20 | C19 | C18 | H23 | 180.0° | 179.7° |
| C20 | C19 | C18 | H22 | 179.4° | 180.0° |
| C19 | C20 | N4 | H27 | 178.5° | 180.0° |
| C17 | C16 | C15 | C13 | 179.4° | 179.7° |
| C16 | C17 | C18 | C19 | 179.3° | 179.9° |
| C17 | C16 | C15 | H12 | 0.6° | 0.3° |
| C17 | C16 | C21 | H14 | 1.8° | 0.3° |
| C16 | C17 | C18 | H22 | 0.7° | 0.0° |
| C16 | C17 | N4 | H27 | 0.4° | 0.4° |
| C16 | C15 | C13 | C12 | 1.5° | 0.2° |
| C15 | C16 | C17 | C18 | 10.2° | 0.3° |
| C16 | C15 | C13 | H12 | 180.0° | 179.9° |
| C16 | C15 | C13 | C14 | 178.9° | 180.0° |
| C15 | C16 | C21 | H14 | 179.5° | 180.0° |
| C12 | C13 | C15 | C14 | 179.5° | 179.7° |
| C12 | C13 | C15 | H12 | 178.5° | 179.7° |
| C12 | C13 | C14 | H19 | 90.3° | 90.3° |
| C12 | C13 | C14 | H20 | 149.7° | 29.7° |
| C12 | C13 | C14 | H21 | 29.7° | 149.7° |
| C17 | C18 | C19 | H22 | 180.0° | 180.0° |
| C17 | C18 | C19 | H23 | 179.5° | 179.7° |
| C18 | C17 | N4 | H27 | 178.1° | 180.0° |
| C15 | C13 | C12 | H18 | 179.5° | 179.7° |
| C15 | C13 | C14 | H19 | 90.2° | 90.0° |
| C15 | C13 | C14 | H20 | 29.8° | 150.0° |
| C15 | C13 | C14 | H21 | 149.8° | 30.0° |
| C14 | C13 | C15 | H12 | 1.1° | 0.0° |
| C14 | C13 | C12 | H18 | 0.0° | 0.0° |
| C13 | C14 | H19 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H21 | 120.0° | 120.0° |
| C13 | C14 | H20 | H21 | 120.0° | 120.0° |
| C18 | C19 | C20 | H13 | 179.4° | 180.0° |
| H2 | N3 | C10 | H10 | 76.0° | 120.0° |
| H2 | N3 | C10 | H11 | 165.9° | 120.0° |
| H3 | C4 | C3 | H26 | 64.9° | 179.2° |
| H4 | C4 | C3 | H26 | 176.0° | 59.2° |
| H5 | C5 | C6 | H6 | 65.9° | 63.4° |
| H5 | C5 | C6 | H7 | 55.6° | 56.6° |
| H5 | C5 | C1 | H17 | 170.8° | 179.2° |
| H6 | C6 | O4 | H31 | 60.8° | 60.1° |
| H7 | C6 | O4 | H31 | 60.7° | 59.9° |
| H13 | C20 | C19 | H23 | 0.6° | 0.3° |
| H13 | C20 | N4 | H27 | 1.6° | 0.3° |
| H15 | C22 | C23 | H25 | 0.9° | 0.0° |
| H16 | C24 | C23 | H25 | 0.2° | 0.0° |
| H17 | C1 | C2 | H24 | 170.8° | 177.8° |
| H17 | C1 | O1 | H28 | 57.3° | 59.9° |
| H19 | C14 | H20 | H21 | 120.0° | 120.0° |
| H22 | C18 | C19 | H23 | 0.6° | 0.3° |
| H24 | C2 | C3 | H26 | 174.8° | 177.8° |
| H24 | C2 | O2 | H29 | 58.1° | 59.9° |
| H26 | C3 | O3 | H30 | 65.3° | 59.9° |
