UGO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.51Å | |
| O6 | C22 | sing | 1.43Å | 1.49Å | |
| C22 | C1 | sing | 1.53Å | 1.43Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | N4 | sing | 1.32Å | 1.37Å | Aromatic |
| O3 | C4 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.44Å | |
| C17 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| N4 | C15 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | N1 | sing | 1.47Å | 1.45Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| N1 | C5 | sing | 1.47Å | 1.23Å | |
| N1 | C3 | sing | 1.47Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C3 | C4 | sing | 1.53Å | 1.46Å | |
| C15 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.51Å | |
| C18 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | C14 | doub | 1.40Å | 1.47Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.59Å | |
| C20 | C11 | doub | 1.39Å | 1.46Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.60Å | |
| C13 | C12 | doub | 1.38Å | 1.48Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | N2 | sing | 1.39Å | 1.53Å | |
| C12 | N3 | sing | 1.48Å | 1.48Å | |
| C10 | N2 | sing | 1.46Å | 1.45Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.60Å | |
| N3 | O5 | sing | 1.22Å | 1.38Å | |
| N3 | O4 | doub | 1.22Å | 1.43Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | 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 | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| O1 | H20 | sing | 0.97Å | 0.95Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| O6 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C22 | 106.8° | 109.5° |
| O1 | C1 | C2 | 107.3° | 109.5° |
| C1 | O1 | H20 | 109.5° | 114.0° |
| O1 | C1 | H21 | 109.3° | 109.6° |
| O6 | C22 | C1 | 107.3° | 109.5° |
| O6 | C22 | C21 | 110.9° | 109.6° |
| O6 | C22 | H19 | 108.1° | 109.5° |
| C22 | O6 | H32 | 109.5° | 114.0° |
| C1 | C22 | C21 | 113.7° | 109.2° |
| C22 | C1 | C2 | 112.5° | 109.2° |
| C1 | C22 | H19 | 108.9° | 109.5° |
| C22 | C1 | H21 | 110.5° | 109.5° |
| C22 | C21 | N1 | 111.4° | 109.5° |
| C22 | C21 | H17 | 109.0° | 109.5° |
| C22 | C21 | H18 | 109.0° | 109.5° |
| C21 | C22 | H19 | 107.7° | 109.5° |
| C17 | C16 | N4 | 118.3° | 119.2° |
| C16 | C17 | C18 | 119.6° | 118.6° |
| C16 | C17 | H15 | 120.2° | 120.7° |
| C17 | C16 | H29 | 120.9° | 120.4° |
| C16 | N4 | C15 | 121.0° | 120.8° |
| N4 | C16 | H29 | 120.9° | 120.4° |
| O3 | C4 | C3 | 109.8° | 109.5° |
| O3 | C4 | H2 | 109.4° | 109.5° |
| O3 | C4 | H3 | 109.4° | 109.5° |
| C4 | O3 | H25 | 109.5° | 114.0° |
| C1 | C2 | O2 | 107.7° | 109.5° |
| C1 | C2 | C3 | 112.4° | 109.3° |
| C2 | C1 | H21 | 110.4° | 109.6° |
| C1 | C2 | H22 | 109.0° | 109.5° |
| C17 | C18 | N5 | 118.3° | 119.2° |
| C18 | C17 | H15 | 120.2° | 120.7° |
| C17 | C18 | H30 | 120.9° | 120.4° |
| N4 | C15 | N5 | 121.7° | 121.6° |
| N4 | C15 | C14 | 119.5° | 119.2° |
| C21 | N1 | C5 | 115.7° | 111.0° |
| C21 | N1 | C3 | 112.5° | 111.2° |
| N1 | C21 | H17 | 109.0° | 109.5° |
| N1 | C21 | H18 | 109.0° | 109.5° |
| O2 | C2 | C3 | 111.5° | 109.5° |
| O2 | C2 | H22 | 109.1° | 109.5° |
| C2 | O2 | H23 | 109.5° | 114.0° |
| C2 | C3 | N1 | 109.1° | 109.5° |
| C2 | C3 | C4 | 109.3° | 109.5° |
| C3 | C2 | H22 | 107.1° | 109.5° |
| C2 | C3 | H24 | 108.3° | 109.4° |
| C5 | N1 | C3 | 116.8° | 111.0° |
| N1 | C5 | C6 | 112.3° | 109.5° |
| N1 | C5 | H4 | 108.8° | 109.5° |
| N1 | C5 | H5 | 108.8° | 109.5° |
| N1 | C3 | C4 | 111.1° | 109.4° |
| N1 | C3 | H24 | 109.1° | 109.5° |
| C5 | C6 | C7 | 115.7° | 109.5° |
| C6 | C5 | H4 | 108.7° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C5 | C6 | H6 | 107.9° | 109.5° |
| C5 | C6 | H7 | 107.9° | 109.5° |
| C3 | C4 | H2 | 109.4° | 109.5° |
| C3 | C4 | H3 | 109.4° | 109.5° |
| C4 | C3 | H24 | 110.0° | 109.5° |
| N5 | C15 | C14 | 118.8° | 119.2° |
| C15 | N5 | C18 | 121.1° | 120.7° |
| C15 | C14 | C19 | 122.7° | 120.1° |
| C15 | C14 | C13 | 118.5° | 120.1° |
| N5 | C18 | H30 | 120.8° | 120.4° |
| C14 | C19 | C20 | 120.1° | 120.0° |
| C19 | C14 | C13 | 118.8° | 119.9° |
| C14 | C19 | H31 | 119.9° | 120.0° |
| C19 | C20 | C11 | 120.9° | 120.1° |
| C19 | C20 | H16 | 119.6° | 120.0° |
| C20 | C19 | H31 | 119.9° | 120.0° |
| C14 | C13 | C12 | 120.8° | 120.0° |
| C14 | C13 | H14 | 119.6° | 120.0° |
| C6 | C7 | C8 | 114.3° | 109.5° |
| C7 | C6 | H6 | 107.9° | 109.5° |
| C7 | C6 | H7 | 107.9° | 109.5° |
| C6 | C7 | H8 | 108.3° | 109.5° |
| C6 | C7 | H9 | 108.3° | 109.5° |
| C20 | C11 | C12 | 118.1° | 120.1° |
| C20 | C11 | N2 | 125.4° | 120.0° |
| C11 | C20 | H16 | 119.5° | 119.9° |
| C7 | C8 | C9 | 112.3° | 109.5° |
| C8 | C7 | H8 | 108.2° | 109.5° |
| C8 | C7 | H9 | 108.2° | 109.5° |
| C7 | C8 | H10 | 108.7° | 109.5° |
| C7 | C8 | H11 | 108.8° | 109.5° |
| C13 | C12 | C11 | 121.3° | 120.1° |
| C13 | C12 | N3 | 118.6° | 119.9° |
| C12 | C13 | H14 | 119.6° | 120.0° |
| C12 | C11 | N2 | 116.5° | 120.0° |
| C11 | C12 | N3 | 120.1° | 120.0° |
| C11 | N2 | C10 | 126.1° | 120.0° |
| C11 | N2 | H28 | 105.2° | 120.0° |
| C12 | N3 | O5 | 117.2° | 120.0° |
| C12 | N3 | O4 | 120.5° | 120.0° |
| N2 | C10 | C9 | 113.4° | 109.4° |
| N2 | C10 | H12 | 108.5° | 109.5° |
| N2 | C10 | H13 | 108.5° | 109.5° |
| C10 | N2 | H28 | 105.2° | 120.1° |
| C10 | C9 | C8 | 113.1° | 109.5° |
| C9 | C10 | H12 | 108.4° | 109.5° |
| C9 | C10 | H13 | 108.5° | 109.5° |
| C10 | C9 | H26 | 108.6° | 109.5° |
| C10 | C9 | H27 | 108.6° | 109.5° |
| C9 | C8 | H10 | 108.8° | 109.5° |
| C9 | C8 | H11 | 108.8° | 109.5° |
| C8 | C9 | H26 | 108.6° | 109.5° |
| C8 | C9 | H27 | 108.5° | 109.5° |
| O5 | N3 | O4 | 122.3° | 120.0° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H26 | C9 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C22 | O6 | 64.1° | 62.5° |
| O1 | C1 | C22 | C2 | 117.4° | 119.9° |
| O1 | C1 | C22 | H21 | 118.8° | 120.1° |
| O1 | C1 | C22 | C21 | 172.8° | 177.5° |
| O1 | C1 | C2 | H21 | 119.0° | 120.2° |
| O1 | C1 | C2 | O2 | 65.9° | 62.5° |
| O1 | C1 | C2 | C3 | 170.8° | 177.5° |
| O1 | C1 | C22 | H19 | 52.7° | 57.6° |
| O1 | C1 | C2 | H22 | 52.3° | 57.6° |
| O6 | C22 | C1 | C21 | 123.1° | 120.0° |
| O6 | C22 | C1 | H19 | 116.8° | 120.1° |
| O6 | C22 | C21 | H19 | 118.2° | 120.1° |
| O6 | C22 | C1 | C2 | 178.5° | 177.6° |
| O6 | C22 | C21 | N1 | 176.2° | 179.1° |
| O6 | C22 | C21 | H17 | 63.5° | 59.0° |
| O6 | C22 | C21 | H18 | 55.9° | 60.9° |
| O6 | C22 | C1 | H21 | 54.7° | 57.7° |
| C1 | C22 | C21 | H19 | 120.7° | 119.9° |
| C22 | C1 | C2 | H21 | 123.9° | 119.9° |
| C1 | C22 | C21 | N1 | 55.1° | 59.2° |
| C22 | C1 | C2 | O2 | 176.9° | 177.6° |
| C22 | C1 | C2 | C3 | 53.7° | 57.6° |
| C1 | C22 | C21 | H17 | 175.4° | 60.9° |
| C1 | C22 | C21 | H18 | 65.2° | 179.2° |
| C22 | C1 | O1 | H20 | 180.0° | 60.0° |
| C22 | C1 | C2 | H22 | 64.9° | 62.3° |
| C1 | C22 | O6 | H32 | 180.0° | 180.0° |
| C21 | C22 | C1 | C2 | 55.4° | 57.6° |
| C22 | C21 | N1 | H17 | 120.3° | 120.0° |
| C22 | C21 | N1 | H18 | 120.3° | 120.0° |
| C22 | C21 | N1 | C5 | 168.5° | 174.2° |
| C22 | C21 | N1 | C3 | 53.6° | 61.8° |
| C22 | C21 | H17 | H18 | 119.2° | 119.9° |
| C21 | C22 | C1 | H21 | 68.4° | 62.3° |
| C21 | C22 | O6 | H32 | 55.2° | 60.2° |
| C17 | C16 | N4 | H29 | 180.0° | 179.9° |
| C16 | C17 | C18 | H15 | 180.0° | 179.5° |
| C17 | C16 | N4 | C15 | 0.4° | 0.1° |
| C16 | C17 | C18 | N5 | 0.1° | 0.5° |
| C16 | C17 | C18 | H30 | 179.9° | 179.5° |
| N4 | C16 | C17 | C18 | 0.2° | 0.2° |
| C16 | N4 | C15 | N5 | 0.4° | 0.1° |
| C16 | N4 | C15 | C14 | 179.5° | 179.7° |
| N4 | C16 | C17 | H15 | 179.8° | 179.7° |
| O3 | C4 | C3 | C2 | 61.6° | 56.8° |
| O3 | C4 | C3 | N1 | 58.7° | 63.3° |
| O3 | C4 | C3 | H2 | 120.0° | 120.1° |
| O3 | C4 | C3 | H3 | 120.0° | 120.0° |
| O3 | C4 | H2 | H3 | 119.8° | 120.0° |
| O3 | C4 | C3 | H24 | 179.6° | 176.8° |
| C1 | C2 | O2 | C3 | 123.8° | 119.8° |
| C1 | C2 | O2 | H22 | 118.1° | 120.1° |
| C1 | C2 | C3 | H22 | 119.7° | 120.0° |
| C1 | C2 | C3 | N1 | 51.2° | 59.2° |
| C1 | C2 | C3 | C4 | 172.8° | 179.2° |
| C2 | C1 | C22 | H19 | 64.7° | 62.3° |
| C2 | C1 | O1 | H20 | 59.3° | 179.7° |
| C1 | C2 | O2 | H23 | 180.0° | 60.0° |
| C1 | C2 | C3 | H24 | 67.4° | 60.8° |
| C17 | C18 | N5 | C15 | 0.1° | 0.5° |
| C17 | C18 | N5 | H30 | 180.0° | 179.9° |
| C18 | C17 | C16 | H29 | 179.8° | 179.7° |
| N4 | C15 | N5 | C14 | 179.9° | 179.8° |
| N4 | C15 | N5 | C18 | 0.3° | 0.2° |
| N4 | C15 | C14 | C19 | 15.3° | 179.7° |
| N4 | C15 | C14 | C13 | 164.2° | 0.2° |
| C15 | N4 | C16 | H29 | 179.6° | 180.0° |
| C21 | N1 | C3 | C2 | 51.5° | 61.8° |
| C21 | N1 | C5 | C3 | 136.1° | 124.2° |
| C21 | N1 | C5 | C6 | 80.2° | 69.6° |
| C21 | N1 | C3 | C4 | 172.1° | 178.2° |
| C21 | N1 | C5 | H4 | 159.4° | 50.4° |
| C21 | N1 | C5 | H5 | 40.2° | 170.4° |
| N1 | C21 | H17 | H18 | 119.1° | 120.0° |
| N1 | C21 | C22 | H19 | 65.6° | 60.7° |
| C21 | N1 | C3 | H24 | 66.5° | 58.2° |
| O2 | C2 | C3 | H22 | 119.2° | 120.1° |
| O2 | C2 | C3 | N1 | 172.3° | 179.1° |
| O2 | C2 | C3 | C4 | 66.1° | 60.9° |
| O2 | C2 | C1 | H21 | 53.1° | 57.7° |
| O2 | C2 | C3 | H24 | 53.7° | 59.2° |
| C2 | C3 | N1 | C5 | 171.0° | 174.2° |
| C2 | C3 | N1 | C4 | 120.5° | 120.0° |
| C2 | C3 | N1 | H24 | 118.1° | 120.0° |
| C2 | C3 | C4 | H24 | 118.7° | 120.0° |
| C2 | C3 | C4 | H2 | 58.4° | 176.8° |
| C2 | C3 | C4 | H3 | 178.3° | 63.2° |
| C3 | C2 | C1 | H21 | 70.2° | 62.3° |
| C3 | C2 | O2 | H23 | 56.2° | 179.8° |
| N1 | C5 | C6 | H4 | 120.4° | 120.0° |
| N1 | C5 | C6 | H5 | 120.4° | 120.0° |
| C5 | N1 | C3 | C4 | 50.5° | 54.2° |
| N1 | C5 | C6 | C7 | 169.0° | 180.0° |
| N1 | C5 | H4 | H5 | 118.7° | 120.0° |
| N1 | C5 | C6 | H6 | 48.1° | 60.0° |
| N1 | C5 | C6 | H7 | 70.1° | 60.0° |
| C5 | N1 | C21 | H17 | 48.1° | 65.8° |
| C5 | N1 | C21 | H18 | 71.3° | 54.2° |
| C5 | N1 | C3 | H24 | 70.9° | 65.8° |
| C3 | N1 | C5 | C6 | 55.9° | 166.3° |
| N1 | C3 | C4 | H24 | 120.9° | 120.0° |
| N1 | C3 | C4 | H2 | 178.8° | 56.8° |
| N1 | C3 | C4 | H3 | 61.3° | 176.8° |
| C3 | N1 | C5 | H4 | 64.5° | 73.7° |
| C3 | N1 | C5 | H5 | 176.3° | 46.2° |
| C3 | N1 | C21 | H17 | 173.9° | 58.3° |
| C3 | N1 | C21 | H18 | 66.7° | 178.2° |
| N1 | C3 | C2 | H22 | 68.5° | 60.8° |
| C5 | C6 | C7 | H6 | 120.9° | 120.0° |
| C5 | C6 | C7 | H7 | 120.9° | 120.0° |
| C5 | C6 | C7 | C8 | 170.0° | 180.0° |
| C6 | C5 | H4 | H5 | 118.7° | 120.0° |
| C5 | C6 | H6 | H7 | 117.2° | 120.0° |
| C5 | C6 | C7 | H8 | 69.3° | 60.0° |
| C5 | C6 | C7 | H9 | 49.3° | 60.0° |
| C3 | C4 | H2 | H3 | 119.9° | 120.0° |
| C4 | C3 | C2 | H22 | 53.1° | 59.2° |
| C3 | C4 | O3 | H25 | 180.0° | 180.0° |
| N5 | C15 | C14 | C19 | 164.8° | 0.1° |
| N5 | C15 | C14 | C13 | 15.7° | 180.0° |
| C15 | N5 | C18 | H30 | 179.9° | 179.4° |
| C14 | C15 | N5 | C18 | 179.6° | 180.0° |
| C15 | C14 | C19 | C13 | 179.5° | 180.0° |
| C15 | C14 | C19 | C20 | 179.4° | 180.0° |
| C15 | C14 | C13 | C12 | 179.8° | 180.0° |
| C15 | C14 | C13 | H14 | 0.2° | 0.3° |
| C15 | C14 | C19 | H31 | 0.6° | 0.0° |
| N5 | C18 | C17 | H15 | 179.9° | 180.0° |
| C14 | C19 | C20 | H31 | 180.0° | 180.0° |
| C14 | C19 | C20 | C11 | 0.8° | 0.3° |
| C19 | C14 | C13 | C12 | 0.7° | 0.0° |
| C19 | C14 | C13 | H14 | 179.3° | 179.8° |
| C14 | C19 | C20 | H16 | 179.3° | 179.7° |
| C20 | C19 | C14 | C13 | 0.1° | 0.0° |
| C19 | C20 | C11 | H16 | 180.0° | 179.4° |
| C19 | C20 | C11 | C12 | 0.6° | 0.5° |
| C19 | C20 | C11 | N2 | 179.5° | 179.5° |
| C14 | C13 | C12 | H14 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.9° | 0.2° |
| C14 | C13 | C12 | N3 | 178.5° | 179.8° |
| C13 | C14 | C19 | H31 | 179.9° | 180.0° |
| C6 | C7 | C8 | H8 | 120.7° | 120.0° |
| C6 | C7 | C8 | H9 | 120.7° | 120.0° |
| C6 | C7 | C8 | C9 | 167.9° | 180.0° |
| C7 | C6 | C5 | H4 | 70.5° | 60.0° |
| C7 | C6 | C5 | H5 | 48.6° | 60.0° |
| C7 | C6 | H6 | H7 | 117.1° | 120.0° |
| C6 | C7 | H8 | H9 | 117.8° | 120.0° |
| C6 | C7 | C8 | H10 | 71.7° | 60.0° |
| C6 | C7 | C8 | H11 | 47.5° | 60.0° |
| C20 | C11 | C12 | C13 | 0.2° | 0.4° |
| C20 | C11 | C12 | N2 | 180.0° | 179.9° |
| C20 | C11 | C12 | N3 | 179.2° | 179.5° |
| C20 | C11 | N2 | C10 | 7.3° | 4.6° |
| C20 | C11 | N2 | H28 | 114.9° | 175.4° |
| C11 | C20 | C19 | H31 | 179.3° | 179.7° |
| C7 | C8 | C9 | C10 | 64.4° | 180.0° |
| C7 | C8 | C9 | H10 | 120.4° | 120.0° |
| C7 | C8 | C9 | H11 | 120.4° | 120.0° |
| C8 | C7 | C6 | H6 | 49.1° | 60.0° |
| C8 | C7 | C6 | H7 | 69.1° | 60.0° |
| C8 | C7 | H8 | H9 | 117.8° | 120.0° |
| C7 | C8 | H10 | H11 | 118.7° | 120.0° |
| C7 | C8 | C9 | H26 | 56.1° | 60.0° |
| C7 | C8 | C9 | H27 | 175.1° | 60.0° |
| C13 | C12 | C11 | N3 | 179.4° | 180.0° |
| C13 | C12 | C11 | N2 | 179.7° | 179.5° |
| C13 | C12 | N3 | O5 | 57.3° | 38.1° |
| C13 | C12 | N3 | O4 | 121.0° | 141.9° |
| C12 | C11 | N2 | C10 | 172.7° | 175.5° |
| C11 | C12 | N3 | O5 | 123.3° | 141.8° |
| C11 | C12 | N3 | O4 | 58.4° | 38.2° |
| C11 | C12 | C13 | H14 | 179.1° | 180.0° |
| C12 | C11 | C20 | H16 | 179.4° | 179.9° |
| C12 | C11 | N2 | H28 | 65.1° | 4.5° |
| N2 | C11 | C12 | N3 | 0.9° | 0.5° |
| C11 | N2 | C10 | H28 | 122.2° | 180.0° |
| C11 | N2 | C10 | C9 | 152.3° | 180.0° |
| C11 | N2 | C10 | H12 | 87.2° | 60.0° |
| C11 | N2 | C10 | H13 | 31.7° | 60.0° |
| N2 | C11 | C20 | H16 | 0.5° | 0.0° |
| C12 | N3 | O5 | O4 | 178.2° | 180.0° |
| N3 | C12 | C13 | H14 | 1.5° | 0.0° |
| N2 | C10 | C9 | H12 | 120.6° | 120.0° |
| N2 | C10 | C9 | H13 | 120.6° | 120.0° |
| N2 | C10 | C9 | C8 | 159.1° | 180.0° |
| N2 | C10 | H12 | H13 | 118.2° | 120.0° |
| N2 | C10 | C9 | H26 | 38.5° | 60.0° |
| N2 | C10 | C9 | H27 | 80.4° | 60.0° |
| C10 | C9 | C8 | H26 | 120.5° | 120.0° |
| C10 | C9 | C8 | H27 | 120.5° | 120.0° |
| C10 | C9 | C8 | H10 | 56.0° | 60.0° |
| C10 | C9 | C8 | H11 | 175.2° | 60.0° |
| C9 | C10 | H12 | H13 | 118.2° | 120.0° |
| C10 | C9 | H26 | H27 | 118.4° | 120.0° |
| C9 | C10 | N2 | H28 | 30.1° | 0.0° |
| C9 | C8 | C7 | H8 | 47.2° | 60.0° |
| C9 | C8 | C7 | H9 | 71.4° | 60.0° |
| C9 | C8 | H10 | H11 | 118.7° | 120.0° |
| C8 | C9 | C10 | H12 | 80.3° | 60.0° |
| C8 | C9 | C10 | H13 | 38.5° | 60.0° |
| C8 | C9 | H26 | H27 | 118.3° | 120.0° |
| H2 | C4 | C3 | H24 | 60.4° | 63.2° |
| H2 | C4 | O3 | H25 | 60.0° | 60.0° |
| H3 | C4 | C3 | H24 | 59.6° | 56.8° |
| H3 | C4 | O3 | H25 | 59.9° | 60.0° |
| H4 | C5 | C6 | H6 | 168.5° | 180.0° |
| H4 | C5 | C6 | H7 | 50.4° | 60.0° |
| H5 | C5 | C6 | H6 | 72.3° | 60.0° |
| H5 | C5 | C6 | H7 | 169.5° | 180.0° |
| H6 | C6 | C7 | H8 | 169.8° | NaN° |
| H6 | C6 | C7 | H9 | 71.6° | 60.0° |
| H7 | C6 | C7 | H8 | 51.6° | 60.0° |
| H7 | C6 | C7 | H9 | 170.2° | 180.0° |
| H8 | C7 | C8 | H10 | 167.6° | 180.0° |
| H8 | C7 | C8 | H11 | 73.2° | 60.0° |
| H9 | C7 | C8 | H10 | 49.0° | 60.0° |
| H9 | C7 | C8 | H11 | 168.2° | 180.0° |
| H10 | C8 | C9 | H26 | 176.5° | 180.0° |
| H10 | C8 | C9 | H27 | 64.6° | 60.0° |
| H11 | C8 | C9 | H26 | 64.3° | 60.0° |
| H11 | C8 | C9 | H27 | 54.6° | 180.0° |
| H12 | C10 | C9 | H26 | 159.1° | 180.0° |
| H12 | C10 | C9 | H27 | 40.2° | 60.0° |
| H12 | C10 | N2 | H28 | 150.6° | 120.0° |
| H13 | C10 | C9 | H26 | 82.0° | 60.0° |
| H13 | C10 | C9 | H27 | 159.0° | 180.0° |
| H13 | C10 | N2 | H28 | 90.5° | 120.0° |
| H15 | C17 | C16 | H29 | 0.2° | 0.2° |
| H15 | C17 | C18 | H30 | 0.1° | 0.1° |
| H16 | C20 | C19 | H31 | 0.7° | 0.3° |
| H17 | C21 | C22 | H19 | 54.7° | 179.2° |
| H18 | C21 | C22 | H19 | 174.1° | 59.3° |
| H19 | C22 | C1 | H21 | 171.5° | 177.7° |
| H19 | C22 | O6 | H32 | 62.7° | 60.0° |
| H20 | O1 | C1 | H21 | 60.4° | 60.1° |
| H21 | C1 | C2 | H22 | 171.3° | 177.8° |
| H22 | C2 | O2 | H23 | 61.9° | 60.1° |
| H22 | C2 | C3 | H24 | 172.9° | 179.2° |
