UJT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.38Å | 1.34Å | |
| C | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| N4 | C3 | doub | 1.30Å | 1.31Å | Aromatic |
| C4 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| C | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| N3 | C5 | sing | 1.46Å | 1.45Å | |
| C5 | O | sing | 1.44Å | 1.41Å | |
| O | C6 | sing | 1.44Å | 1.44Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| N5 | C7 | sing | 1.47Å | 1.47Å | |
| C8 | N5 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| O1 | C10 | sing | 1.43Å | 1.42Å | |
| C11 | N5 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | trip | 1.17Å | 1.20Å | |
| C14 | C13 | sing | 1.43Å | 1.42Å | |
| C14 | N6 | doub | 1.31Å | 1.32Å | Aromatic |
| N6 | C15 | sing | 1.35Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.41Å | Aromatic |
| N7 | C16 | sing | 1.38Å | 1.34Å | |
| C16 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| N8 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | N9 | sing | 1.32Å | 1.33Å | Aromatic |
| N9 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| C15 | C18 | sing | 1.41Å | 1.38Å | Aromatic |
| C18 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| N10 | C14 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | N10 | sing | 1.46Å | 1.45Å | |
| C19 | O2 | sing | 1.44Å | 1.41Å | |
| O2 | C20 | sing | 1.44Å | 1.45Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| O3 | C21 | sing | 1.43Å | 1.42Å | |
| C20 | C22 | sing | 1.54Å | 1.54Å | |
| O4 | C22 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C23 | C19 | sing | 1.54Å | 1.52Å | |
| O5 | C23 | sing | 1.43Å | 1.42Å | |
| C6 | C24 | sing | 1.55Å | 1.52Å | |
| O6 | C24 | sing | 1.43Å | 1.42Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C5 | C25 | sing | 1.54Å | 1.54Å | |
| C25 | O7 | sing | 1.43Å | 1.42Å | |
| 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 | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| O5 | H28 | sing | 0.97Å | 0.95Å | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| O3 | H24 | sing | 0.97Å | 0.95Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| N7 | H19 | sing | 0.97Å | 1.00Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| O6 | H30 | sing | 0.97Å | 0.95Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 118.3° | 120.8° |
| N | C | C4 | 124.1° | 120.8° |
| C | N | H5 | 109.5° | 120.0° |
| C | N | H4 | 109.5° | 120.0° |
| C | N1 | C1 | 118.8° | 121.2° |
| N1 | C | C4 | 117.6° | 118.5° |
| N1 | C1 | N2 | 128.9° | 122.4° |
| N1 | C1 | H6 | 115.5° | 118.8° |
| C1 | N2 | C2 | 111.1° | 120.7° |
| N2 | C1 | H6 | 115.6° | 118.7° |
| N2 | C2 | N3 | 127.3° | 134.9° |
| N2 | C2 | C4 | 126.4° | 119.1° |
| C2 | N3 | C3 | 105.7° | 107.4° |
| N3 | C2 | C4 | 106.2° | 106.0° |
| C2 | N3 | C5 | 126.3° | 126.3° |
| N3 | C3 | N4 | 114.0° | 110.0° |
| C3 | N3 | C5 | 128.0° | 126.3° |
| N3 | C3 | H7 | 123.0° | 125.0° |
| C3 | N4 | C4 | 103.8° | 109.5° |
| N4 | C3 | H7 | 123.0° | 125.0° |
| N4 | C4 | C | 132.5° | 134.7° |
| N4 | C4 | C2 | 110.3° | 107.1° |
| C | C4 | C2 | 117.2° | 118.1° |
| N3 | C5 | O | 108.7° | 110.4° |
| N3 | C5 | C25 | 114.1° | 110.4° |
| N3 | C5 | H | 108.9° | 110.4° |
| C5 | O | C6 | 107.0° | 105.3° |
| O | C5 | C25 | 107.7° | 104.8° |
| O | C5 | H | 109.5° | 110.3° |
| O | C6 | C7 | 110.0° | 110.4° |
| O | C6 | C24 | 103.6° | 104.8° |
| O | C6 | H1 | 110.5° | 110.5° |
| C6 | C7 | N5 | 110.0° | 109.4° |
| C7 | C6 | C24 | 114.0° | 110.3° |
| C6 | C7 | H8 | 109.3° | 109.5° |
| C6 | C7 | H9 | 109.3° | 109.5° |
| C7 | C6 | H1 | 109.4° | 110.4° |
| C7 | N5 | C8 | 112.2° | 111.0° |
| C7 | N5 | C11 | 116.2° | 111.0° |
| N5 | C7 | H8 | 109.3° | 109.5° |
| N5 | C7 | H9 | 109.4° | 109.5° |
| N5 | C8 | C9 | 112.6° | 109.5° |
| C8 | N5 | C11 | 115.8° | 111.0° |
| N5 | C8 | H10 | 108.7° | 109.5° |
| N5 | C8 | H11 | 108.6° | 109.5° |
| C8 | C9 | C10 | 113.6° | 109.5° |
| C9 | C8 | H10 | 108.7° | 109.4° |
| C9 | C8 | H11 | 108.7° | 109.5° |
| C8 | C9 | H13 | 108.4° | 109.5° |
| C8 | C9 | H12 | 108.4° | 109.5° |
| C9 | C10 | O1 | 111.9° | 109.5° |
| C10 | C9 | H13 | 108.4° | 109.5° |
| C10 | C9 | H12 | 108.4° | 109.5° |
| C9 | C10 | H15 | 108.9° | 109.5° |
| C9 | C10 | H14 | 108.9° | 109.5° |
| C10 | O1 | H16 | 109.5° | 113.9° |
| O1 | C10 | H15 | 108.9° | 109.5° |
| O1 | C10 | H14 | 108.8° | 109.5° |
| N5 | C11 | C12 | 114.5° | 109.5° |
| N5 | C11 | H18 | 108.2° | 109.5° |
| N5 | C11 | H17 | 108.2° | 109.5° |
| C11 | C12 | C13 | 174.3° | 179.9° |
| C12 | C11 | H18 | 108.2° | 109.5° |
| C12 | C11 | H17 | 108.2° | 109.5° |
| C12 | C13 | C14 | 177.6° | 180.0° |
| C13 | C14 | N6 | 124.2° | 125.2° |
| C13 | C14 | N10 | 122.9° | 125.2° |
| C14 | N6 | C15 | 104.4° | 109.5° |
| N6 | C14 | N10 | 112.8° | 109.6° |
| N6 | C15 | C16 | 131.9° | 134.5° |
| N6 | C15 | C18 | 111.0° | 107.4° |
| C15 | C16 | N7 | 123.7° | 120.8° |
| C15 | C16 | N8 | 117.6° | 118.5° |
| C16 | C15 | C18 | 116.9° | 118.1° |
| N7 | C16 | N8 | 118.5° | 120.7° |
| C16 | N7 | H19 | 109.5° | 120.0° |
| C16 | N7 | H20 | 109.5° | 120.0° |
| C16 | N8 | C17 | 118.8° | 121.2° |
| N8 | C17 | N9 | 128.8° | 122.5° |
| N8 | C17 | H21 | 115.6° | 118.8° |
| C17 | N9 | C18 | 111.0° | 120.7° |
| N9 | C17 | H21 | 115.6° | 118.7° |
| N9 | C18 | C15 | 126.8° | 119.1° |
| N9 | C18 | N10 | 127.4° | 134.7° |
| C15 | C18 | N10 | 105.7° | 106.2° |
| C18 | N10 | C14 | 106.1° | 107.3° |
| C18 | N10 | C19 | 124.4° | 126.4° |
| C14 | N10 | C19 | 129.4° | 126.3° |
| N10 | C19 | O2 | 110.5° | 110.4° |
| N10 | C19 | C23 | 117.3° | 110.4° |
| N10 | C19 | H2 | 107.9° | 110.3° |
| C19 | O2 | C20 | 107.5° | 105.3° |
| O2 | C19 | C23 | 105.3° | 104.8° |
| O2 | C19 | H2 | 108.5° | 110.3° |
| O2 | C20 | C21 | 109.8° | 110.5° |
| O2 | C20 | C22 | 106.3° | 104.8° |
| O2 | C20 | H3 | 109.1° | 110.4° |
| C20 | C21 | O3 | 111.9° | 109.4° |
| C21 | C20 | C22 | 115.1° | 110.4° |
| C21 | C20 | H3 | 108.3° | 110.3° |
| C20 | C21 | H23 | 108.9° | 109.5° |
| C20 | C21 | H22 | 108.9° | 109.5° |
| C21 | O3 | H24 | 109.5° | 114.0° |
| O3 | C21 | H23 | 108.9° | 109.5° |
| O3 | C21 | H22 | 108.8° | 109.5° |
| C20 | C22 | O4 | 110.3° | 110.5° |
| C20 | C22 | C23 | 103.2° | 104.1° |
| C22 | C20 | H3 | 108.0° | 110.4° |
| C20 | C22 | H25 | 110.6° | 110.5° |
| O4 | C22 | C23 | 109.3° | 110.5° |
| C22 | O4 | H26 | 109.5° | 114.0° |
| O4 | C22 | H25 | 112.3° | 110.4° |
| C22 | C23 | C19 | 99.5° | 104.1° |
| C22 | C23 | O5 | 112.0° | 110.5° |
| C23 | C22 | H25 | 110.7° | 110.6° |
| C22 | C23 | H27 | 111.1° | 110.7° |
| C19 | C23 | O5 | 109.5° | 110.5° |
| C23 | C19 | H2 | 107.1° | 110.4° |
| C19 | C23 | H27 | 111.3° | 110.5° |
| C23 | O5 | H28 | 109.5° | 114.0° |
| O5 | C23 | H27 | 112.7° | 110.4° |
| C6 | C24 | O6 | 109.7° | 110.5° |
| C6 | C24 | C25 | 102.3° | 104.1° |
| C24 | C6 | H1 | 109.3° | 110.4° |
| C6 | C24 | H29 | 110.3° | 110.5° |
| O6 | C24 | C25 | 112.3° | 110.5° |
| O6 | C24 | H29 | 111.8° | 110.5° |
| C24 | O6 | H30 | 109.5° | 114.0° |
| C24 | C25 | C5 | 103.2° | 104.0° |
| C24 | C25 | O7 | 112.1° | 110.5° |
| C25 | C24 | H29 | 110.0° | 110.5° |
| C24 | C25 | H31 | 110.2° | 110.5° |
| C5 | C25 | O7 | 109.2° | 110.5° |
| C25 | C5 | H | 107.9° | 110.4° |
| C5 | C25 | H31 | 110.1° | 110.5° |
| O7 | C25 | H31 | 111.8° | 110.6° |
| C25 | O7 | H32 | 109.5° | 114.0° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H13 | C9 | H12 | 109.5° | 109.4° |
| H5 | N | H4 | 109.5° | 120.0° |
| H15 | C10 | H14 | 109.5° | 109.5° |
| H18 | C11 | H17 | 109.5° | 109.4° |
| H23 | C21 | H22 | 109.5° | 109.5° |
| H19 | N7 | H20 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | C4 | 177.8° | 179.9° |
| N | C | N1 | C1 | 177.1° | 179.9° |
| N | C | C4 | N4 | 4.5° | 0.1° |
| N | C | C4 | C2 | 176.6° | 180.0° |
| C | N | H5 | H4 | 120.0° | 180.0° |
| C | N1 | C1 | N2 | 0.2° | 0.1° |
| N1 | C | C4 | N4 | 177.9° | 180.0° |
| N1 | C | C4 | C2 | 1.0° | 0.0° |
| C | N1 | C1 | H6 | 179.8° | 180.0° |
| N1 | C | N | H5 | 0.0° | 0.0° |
| N1 | C | N | H4 | 120.0° | 180.0° |
| N1 | C1 | N2 | H6 | 180.0° | 179.9° |
| N1 | C1 | N2 | C2 | 0.8° | 0.1° |
| C1 | N1 | C | C4 | 0.8° | 0.0° |
| C1 | N2 | C2 | N3 | 177.9° | 180.0° |
| C1 | N2 | C2 | C4 | 0.4° | 0.1° |
| N2 | C2 | N3 | C4 | 178.6° | 180.0° |
| N2 | C2 | N3 | C3 | 178.8° | 180.0° |
| N2 | C2 | C4 | N4 | 178.7° | 180.0° |
| N2 | C2 | C4 | C | 0.5° | 0.0° |
| N2 | C2 | N3 | C5 | 1.2° | 0.0° |
| C2 | N2 | C1 | H6 | 179.2° | 180.0° |
| C2 | N3 | C3 | C5 | 177.5° | 180.0° |
| C2 | N3 | C3 | N4 | 0.2° | 0.0° |
| N3 | C2 | C4 | N4 | 0.1° | 0.0° |
| N3 | C2 | C4 | C | 179.1° | 180.0° |
| C2 | N3 | C5 | O | 126.6° | 156.4° |
| C2 | N3 | C5 | C25 | 113.2° | 88.1° |
| C2 | N3 | C5 | H | 7.3° | 34.2° |
| C2 | N3 | C3 | H7 | 179.8° | 179.9° |
| N3 | C3 | N4 | H7 | 180.0° | 179.9° |
| N3 | C3 | N4 | C4 | 0.2° | 0.0° |
| C3 | N3 | C2 | C4 | 0.2° | 0.0° |
| C3 | N3 | C5 | O | 56.4° | 23.6° |
| C3 | N3 | C5 | C25 | 63.8° | 91.8° |
| C3 | N3 | C5 | H | 175.6° | 145.9° |
| C3 | N4 | C4 | C | 179.0° | 180.0° |
| C3 | N4 | C4 | C2 | 0.1° | 0.0° |
| N4 | C3 | N3 | C5 | 177.3° | 180.0° |
| N4 | C4 | C | C2 | 178.9° | 180.0° |
| C4 | N4 | C3 | H7 | 179.8° | 179.9° |
| C4 | C | N | H5 | 177.7° | 180.0° |
| C4 | C | N | H4 | 57.7° | 0.1° |
| C4 | C2 | N3 | C5 | 177.4° | 180.0° |
| N3 | C5 | O | C25 | 124.1° | 118.9° |
| N3 | C5 | O | H | 118.9° | 122.3° |
| N3 | C5 | O | C6 | 148.3° | 159.4° |
| N3 | C5 | C25 | C24 | 120.0° | 142.8° |
| N3 | C5 | C25 | H | 121.1° | 122.3° |
| N3 | C5 | C25 | O7 | 120.7° | 98.5° |
| C5 | N3 | C3 | H7 | 2.7° | 0.1° |
| N3 | C5 | C25 | H31 | 2.4° | 24.2° |
| C5 | O | C6 | C7 | 161.8° | 159.3° |
| C5 | O | C6 | C24 | 39.7° | 40.5° |
| O | C5 | C25 | C24 | 0.7° | 24.0° |
| O | C5 | C25 | H | 118.1° | 118.8° |
| O | C5 | C25 | O7 | 118.6° | 142.6° |
| C5 | O | C6 | H1 | 77.3° | 78.4° |
| O | C5 | C25 | H31 | 118.3° | 94.7° |
| O | C6 | C7 | C24 | 115.8° | 115.3° |
| O | C6 | C7 | H1 | 121.5° | 122.4° |
| O | C6 | C7 | N5 | 65.0° | 70.8° |
| O | C6 | C24 | H1 | 117.8° | 119.0° |
| O | C6 | C24 | O6 | 158.0° | 142.6° |
| O | C6 | C24 | C25 | 38.5° | 24.0° |
| C6 | O | C5 | C25 | 24.2° | 40.5° |
| O | C6 | C7 | H8 | 175.0° | 169.3° |
| O | C6 | C7 | H9 | 55.1° | 49.3° |
| C6 | O | C5 | H | 92.8° | 78.3° |
| O | C6 | C24 | H29 | 78.5° | 94.7° |
| C6 | C7 | N5 | H8 | 120.0° | 120.0° |
| C6 | C7 | N5 | H9 | 120.1° | 120.1° |
| C6 | C7 | N5 | C8 | 136.6° | 73.1° |
| C6 | C7 | N5 | C11 | 86.9° | 163.0° |
| C7 | C6 | C24 | H1 | 122.7° | 122.2° |
| C7 | C6 | C24 | O6 | 82.5° | 98.6° |
| C7 | C6 | C24 | C25 | 158.0° | 142.8° |
| C6 | C7 | H8 | H9 | 119.8° | 120.0° |
| C7 | C6 | C24 | H29 | 41.0° | 24.1° |
| C7 | N5 | C8 | C11 | 136.7° | 124.0° |
| C7 | N5 | C8 | C9 | 63.2° | 58.2° |
| C7 | N5 | C11 | C12 | 75.2° | 159.6° |
| N5 | C7 | C6 | C24 | 179.2° | 173.9° |
| N5 | C7 | H8 | H9 | 119.8° | 120.0° |
| C7 | N5 | C8 | H10 | 176.4° | 178.2° |
| C7 | N5 | C8 | H11 | 57.3° | 61.8° |
| N5 | C7 | C6 | H1 | 56.5° | 51.7° |
| C7 | N5 | C11 | H18 | 45.5° | 80.4° |
| C7 | N5 | C11 | H17 | 164.0° | 39.5° |
| N5 | C8 | C9 | H10 | 120.5° | 120.0° |
| N5 | C8 | C9 | H11 | 120.4° | 120.0° |
| N5 | C8 | C9 | C10 | 159.4° | 178.2° |
| C8 | N5 | C11 | C12 | 149.8° | 76.5° |
| C8 | N5 | C7 | H8 | 103.4° | 167.0° |
| C8 | N5 | C7 | H9 | 16.5° | 47.0° |
| N5 | C8 | H10 | H11 | 118.6° | 120.0° |
| N5 | C8 | C9 | H13 | 80.0° | 61.7° |
| N5 | C8 | C9 | H12 | 38.8° | 58.2° |
| C8 | N5 | C11 | H18 | 89.5° | 43.6° |
| C8 | N5 | C11 | H17 | 29.1° | 163.5° |
| C8 | C9 | C10 | H13 | 120.6° | 120.1° |
| C8 | C9 | C10 | H12 | 120.6° | 120.0° |
| C8 | C9 | C10 | O1 | 59.9° | 175.0° |
| C9 | C8 | N5 | C11 | 160.1° | 65.7° |
| C9 | C8 | H10 | H11 | 118.6° | 120.0° |
| C8 | C9 | H13 | H12 | 118.1° | 120.0° |
| C8 | C9 | C10 | H15 | 179.7° | 55.0° |
| C8 | C9 | C10 | H14 | 60.4° | 65.0° |
| C9 | C10 | O1 | H15 | 120.4° | 120.0° |
| C9 | C10 | O1 | H14 | 120.4° | 120.0° |
| C10 | C9 | C8 | H10 | 39.0° | 61.8° |
| C10 | C9 | C8 | H11 | 80.1° | 58.2° |
| C10 | C9 | H13 | H12 | 118.1° | 119.9° |
| C9 | C10 | O1 | H16 | 180.0° | 175.0° |
| C9 | C10 | H15 | H14 | 118.9° | 120.0° |
| O1 | C10 | C9 | H13 | 60.7° | 64.9° |
| O1 | C10 | C9 | H12 | 179.5° | 55.0° |
| O1 | C10 | H15 | H14 | 118.9° | 120.0° |
| N5 | C11 | C12 | H18 | 120.7° | 120.0° |
| N5 | C11 | C12 | H17 | 120.7° | 120.0° |
| N5 | C11 | C12 | C13 | 37.9° | 10.1° |
| C11 | N5 | C7 | H8 | 33.2° | 43.0° |
| C11 | N5 | C7 | H9 | 153.0° | 77.0° |
| C11 | N5 | C8 | H10 | 39.7° | 54.2° |
| C11 | N5 | C8 | H11 | 79.4° | 174.2° |
| N5 | C11 | H18 | H17 | 117.7° | 119.9° |
| C11 | C12 | C13 | C14 | 149.3° | 147.2° |
| C12 | C11 | H18 | H17 | 117.7° | 120.0° |
| C12 | C13 | C14 | N6 | 4.2° | 22.7° |
| C12 | C13 | C14 | N10 | 179.6° | 157.1° |
| C13 | C12 | C11 | H18 | 158.6° | 130.2° |
| C13 | C12 | C11 | H17 | 82.9° | 109.9° |
| C13 | C14 | N6 | N10 | 176.6° | 179.8° |
| C13 | C14 | N6 | C15 | 175.3° | 180.0° |
| C13 | C14 | N10 | C18 | 176.4° | 180.0° |
| C13 | C14 | N10 | C19 | 0.0° | 0.0° |
| C14 | N6 | C15 | C16 | 173.3° | 179.8° |
| C14 | N6 | C15 | C18 | 1.9° | 0.2° |
| N6 | C14 | N10 | C18 | 0.3° | 0.2° |
| N6 | C14 | N10 | C19 | 176.6° | 179.8° |
| N6 | C15 | C16 | C18 | 174.9° | 180.0° |
| N6 | C15 | C16 | N7 | 2.4° | 0.0° |
| N6 | C15 | C16 | N8 | 176.9° | 180.0° |
| N6 | C15 | C18 | N9 | 177.8° | 180.0° |
| N6 | C15 | C18 | N10 | 1.7° | 0.0° |
| C15 | N6 | C14 | N10 | 1.3° | 0.2° |
| C15 | C16 | N7 | N8 | 174.5° | 180.0° |
| C15 | C16 | N8 | C17 | 1.5° | 0.0° |
| C16 | C15 | C18 | N9 | 1.8° | 0.0° |
| C16 | C15 | C18 | N10 | 174.2° | 180.0° |
| C15 | C16 | N7 | H19 | 174.5° | 0.0° |
| C15 | C16 | N7 | H20 | 54.5° | 179.9° |
| N7 | C16 | N8 | C17 | 173.3° | 180.0° |
| N7 | C16 | C15 | C18 | 172.6° | 180.0° |
| C16 | N7 | H19 | H20 | 120.0° | 179.9° |
| C16 | N8 | C17 | N9 | 0.7° | 0.0° |
| N8 | C16 | C15 | C18 | 2.0° | 0.0° |
| C16 | N8 | C17 | H21 | 179.3° | 180.0° |
| N8 | C16 | N7 | H19 | 0.0° | 179.9° |
| N8 | C16 | N7 | H20 | 120.0° | 0.0° |
| N8 | C17 | N9 | H21 | 180.0° | 179.9° |
| N8 | C17 | N9 | C18 | 0.3° | 0.0° |
| C17 | N9 | C18 | C15 | 0.9° | 0.0° |
| C17 | N9 | C18 | N10 | 174.3° | 179.9° |
| N9 | C18 | C15 | N10 | 176.1° | 179.9° |
| N9 | C18 | N10 | C14 | 176.9° | 179.8° |
| N9 | C18 | N10 | C19 | 0.3° | 0.2° |
| C18 | N9 | C17 | H21 | 179.6° | 179.9° |
| C15 | C18 | N10 | C14 | 0.9° | 0.1° |
| C15 | C18 | N10 | C19 | 175.7° | 179.9° |
| C18 | N10 | C14 | C19 | 176.3° | 179.9° |
| C18 | N10 | C19 | O2 | 107.6° | 133.5° |
| C18 | N10 | C19 | C23 | 131.8° | 111.0° |
| C18 | N10 | C19 | H2 | 10.8° | 11.3° |
| C14 | N10 | C19 | O2 | 68.1° | 46.4° |
| C14 | N10 | C19 | C23 | 52.4° | 69.0° |
| C14 | N10 | C19 | H2 | 173.4° | 168.6° |
| N10 | C19 | O2 | C23 | 127.5° | 118.9° |
| N10 | C19 | O2 | H2 | 118.1° | 122.2° |
| N10 | C19 | O2 | C20 | 162.5° | 159.4° |
| N10 | C19 | C23 | C22 | 166.3° | 142.9° |
| N10 | C19 | C23 | H2 | 121.4° | 122.3° |
| N10 | C19 | C23 | O5 | 76.1° | 98.5° |
| N10 | C19 | C23 | H27 | 49.1° | 24.0° |
| C19 | O2 | C20 | C21 | 137.1° | 159.4° |
| C19 | O2 | C20 | C22 | 11.9° | 40.5° |
| O2 | C19 | C23 | C22 | 43.0° | 23.9° |
| O2 | C19 | C23 | H2 | 115.3° | 118.8° |
| O2 | C19 | C23 | O5 | 160.6° | 142.6° |
| C19 | O2 | C20 | H3 | 104.4° | 78.4° |
| O2 | C19 | C23 | H27 | 74.1° | 94.9° |
| O2 | C20 | C21 | C22 | 120.0° | 115.4° |
| O2 | C20 | C21 | H3 | 119.1° | 122.3° |
| O2 | C20 | C21 | O3 | 72.9° | 71.2° |
| O2 | C20 | C22 | H3 | 117.0° | 118.9° |
| O2 | C20 | C22 | O4 | 101.4° | 142.6° |
| O2 | C20 | C22 | C23 | 15.3° | 24.0° |
| C20 | O2 | C19 | C23 | 35.0° | 40.5° |
| C20 | O2 | C19 | H2 | 79.4° | 78.4° |
| O2 | C20 | C21 | H23 | 47.4° | 48.8° |
| O2 | C20 | C21 | H22 | 166.7° | 168.9° |
| O2 | C20 | C22 | H25 | 133.7° | 94.8° |
| C20 | C21 | O3 | H23 | 120.4° | 120.0° |
| C20 | C21 | O3 | H22 | 120.4° | 120.0° |
| C21 | C20 | C22 | H3 | 121.1° | 122.2° |
| C21 | C20 | C22 | O4 | 136.7° | 98.5° |
| C21 | C20 | C22 | C23 | 106.6° | 142.9° |
| C20 | C21 | O3 | H24 | 180.0° | 180.0° |
| C20 | C21 | H23 | H22 | 118.9° | 120.0° |
| C21 | C20 | C22 | H25 | 11.8° | 24.1° |
| O3 | C21 | C20 | C22 | 47.0° | 173.4° |
| O3 | C21 | C20 | H3 | 168.0° | 51.1° |
| O3 | C21 | H23 | H22 | 118.9° | 120.0° |
| C20 | C22 | O4 | C23 | 112.8° | 114.6° |
| C20 | C22 | O4 | H25 | 123.9° | 122.6° |
| C20 | C22 | C23 | H25 | 118.3° | 118.7° |
| C20 | C22 | C23 | C19 | 34.1° | 0.0° |
| C20 | C22 | C23 | O5 | 149.8° | 118.6° |
| C20 | C22 | O4 | H26 | 180.0° | 61.5° |
| C22 | C20 | C21 | H23 | 167.4° | 66.6° |
| C22 | C20 | C21 | H22 | 73.3° | 53.4° |
| C20 | C22 | C23 | H27 | 83.2° | 118.7° |
| O4 | C22 | C23 | H25 | 124.3° | 122.7° |
| O4 | C22 | C23 | C19 | 83.3° | 118.6° |
| O4 | C22 | C23 | O5 | 32.4° | 0.0° |
| O4 | C22 | C20 | H3 | 15.6° | 23.8° |
| O4 | C22 | C23 | H27 | 159.4° | 122.6° |
| C22 | C23 | C19 | O5 | 117.6° | 118.6° |
| C22 | C23 | C19 | H27 | 117.2° | 118.8° |
| C22 | C23 | O5 | H27 | 126.1° | 122.8° |
| C22 | C23 | O5 | H28 | 180.0° | 57.3° |
| C23 | C22 | O4 | H26 | 67.2° | 176.2° |
| C22 | C23 | C19 | H2 | 72.3° | 94.9° |
| C23 | C22 | C20 | H3 | 132.3° | 94.9° |
| C19 | C23 | O5 | H27 | 124.4° | 122.6° |
| C19 | C23 | O5 | H28 | 70.6° | 171.9° |
| C19 | C23 | C22 | H25 | 152.4° | 118.7° |
| O5 | C23 | C19 | H2 | 45.3° | 23.8° |
| O5 | C23 | C22 | H25 | 91.9° | 122.6° |
| C6 | C24 | O6 | C25 | 113.1° | 114.6° |
| C6 | C24 | O6 | H29 | 122.7° | 122.7° |
| C6 | C24 | C25 | H29 | 117.2° | 118.7° |
| C6 | C24 | C25 | C5 | 23.5° | 0.0° |
| C6 | C24 | C25 | O7 | 93.8° | 118.6° |
| C24 | C6 | C7 | H8 | 59.2° | 53.9° |
| C24 | C6 | C7 | H9 | 60.7° | 66.1° |
| C6 | C24 | C25 | H31 | 141.0° | 118.7° |
| C6 | C24 | O6 | H30 | 180.0° | 180.0° |
| O6 | C24 | C25 | H29 | 125.2° | 122.7° |
| O6 | C24 | C25 | C5 | 141.1° | 118.7° |
| O6 | C24 | C25 | O7 | 23.8° | 0.0° |
| O6 | C24 | C6 | H1 | 40.2° | 23.7° |
| O6 | C24 | C25 | H31 | 101.4° | 122.7° |
| C24 | C25 | C5 | O7 | 119.3° | 118.6° |
| C24 | C25 | C5 | H31 | 117.6° | 118.6° |
| C24 | C25 | O7 | H31 | 124.3° | 122.7° |
| C24 | C25 | C5 | H | 118.9° | 94.9° |
| C25 | C24 | C6 | H1 | 79.2° | 95.0° |
| C25 | C24 | O6 | H30 | 67.0° | 65.3° |
| C24 | C25 | O7 | H32 | 180.0° | 65.3° |
| C5 | C25 | O7 | H31 | 122.1° | 122.7° |
| C5 | C25 | C24 | H29 | 93.7° | 118.7° |
| C5 | C25 | O7 | H32 | 66.3° | 180.0° |
| O7 | C25 | C5 | H | 0.5° | 23.8° |
| O7 | C25 | C24 | H29 | 149.0° | 122.7° |
| H8 | C7 | C6 | H1 | 63.5° | 68.3° |
| H9 | C7 | C6 | H1 | 176.6° | 171.7° |
| H10 | C8 | C9 | H13 | 159.6° | 58.2° |
| H10 | C8 | C9 | H12 | 81.6° | 178.2° |
| H11 | C8 | C9 | H13 | 40.5° | 178.3° |
| H11 | C8 | C9 | H12 | 159.3° | 61.8° |
| H13 | C9 | C10 | H15 | 59.6° | 175.1° |
| H13 | C9 | C10 | H14 | 179.0° | 55.1° |
| H12 | C9 | C10 | H15 | 59.1° | 65.0° |
| H12 | C9 | C10 | H14 | 60.2° | 175.0° |
| H16 | O1 | C10 | H15 | 59.6° | 65.0° |
| H16 | O1 | C10 | H14 | 59.7° | 55.0° |
| H28 | O5 | C23 | H27 | 53.9° | 65.5° |
| H | C5 | C25 | H31 | 123.6° | 146.5° |
| H1 | C6 | C24 | H29 | 163.7° | 146.4° |
| H26 | O4 | C22 | H25 | 56.2° | 61.1° |
| H24 | O3 | C21 | H23 | 59.7° | 60.0° |
| H24 | O3 | C21 | H22 | 59.6° | 60.0° |
| H2 | C19 | C23 | H27 | 170.5° | 146.3° |
| H3 | C20 | C21 | H23 | 71.7° | 171.1° |
| H3 | C20 | C21 | H22 | 47.6° | 68.9° |
| H3 | C20 | C22 | H25 | 109.3° | 146.3° |
| H25 | C22 | C23 | H27 | 35.1° | 0.0° |
| H29 | C24 | C25 | H31 | 23.8° | 0.0° |
| H29 | C24 | O6 | H30 | 57.3° | 57.3° |
| H31 | C25 | O7 | H32 | 55.8° | 57.3° |
