UXO
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 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | N3 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.31Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| N4 | C5 | sing | 1.46Å | 1.46Å | |
| C5 | O | sing | 1.44Å | 1.42Å | |
| O | C6 | sing | 1.44Å | 1.44Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| 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 | 1.52Å | |
| C11 | C10 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | trip | 1.17Å | 1.18Å | |
| C13 | N5 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | trip | 1.17Å | 1.19Å | |
| C16 | C15 | sing | 1.43Å | 1.42Å | |
| C16 | N6 | doub | 1.31Å | 1.32Å | Aromatic |
| N6 | C17 | sing | 1.35Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.39Å | Aromatic |
| N7 | C18 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| N8 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C17 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| N9 | C20 | sing | 1.38Å | 1.34Å | |
| C18 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| N10 | C16 | sing | 1.37Å | 1.38Å | Aromatic |
| C21 | N10 | sing | 1.46Å | 1.46Å | |
| C21 | O1 | sing | 1.44Å | 1.41Å | |
| O1 | C22 | sing | 1.44Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| O2 | C23 | sing | 1.43Å | 1.42Å | |
| C22 | C24 | sing | 1.54Å | 1.54Å | |
| O3 | C24 | sing | 1.43Å | 1.42Å | |
| C24 | C25 | sing | 1.55Å | 1.54Å | |
| C25 | C21 | sing | 1.54Å | 1.53Å | |
| O4 | C25 | sing | 1.43Å | 1.42Å | |
| C6 | C26 | sing | 1.54Å | 1.52Å | |
| O5 | C26 | sing | 1.43Å | 1.42Å | |
| C26 | C27 | sing | 1.55Å | 1.54Å | |
| C5 | C27 | sing | 1.55Å | 1.54Å | |
| C27 | O6 | 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 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| O5 | H30 | sing | 0.97Å | 0.95Å | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| O3 | H26 | 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 | |
| C12 | H16 | sing | 1.05Å | 1.06Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| N9 | H21 | sing | 0.97Å | 1.00Å | |
| N9 | H20 | sing | 0.97Å | 1.00Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å | |
| O6 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 118.5° | 120.8° |
| N | C | C3 | 123.9° | 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 | C3 | 117.7° | 118.5° |
| N1 | C1 | N2 | 128.8° | 122.5° |
| N1 | C1 | H6 | 115.6° | 118.7° |
| C1 | N2 | C2 | 111.1° | 120.6° |
| N2 | C1 | H6 | 115.6° | 118.8° |
| N2 | C2 | C3 | 126.8° | 119.1° |
| N2 | C2 | N4 | 127.5° | 134.9° |
| C2 | C3 | C | 116.8° | 118.2° |
| C2 | C3 | N3 | 110.8° | 107.1° |
| C3 | C2 | N4 | 105.7° | 106.0° |
| C | C3 | N3 | 132.4° | 134.7° |
| C3 | N3 | C4 | 103.6° | 109.4° |
| N3 | C4 | N4 | 114.1° | 110.0° |
| N3 | C4 | H7 | 122.9° | 125.0° |
| C4 | N4 | C2 | 105.7° | 107.4° |
| C4 | N4 | C5 | 127.3° | 126.3° |
| N4 | C4 | H7 | 122.9° | 125.0° |
| C2 | N4 | C5 | 126.9° | 126.3° |
| N4 | C5 | O | 108.8° | 110.4° |
| N4 | C5 | C27 | 113.9° | 110.4° |
| N4 | C5 | H | 109.0° | 110.4° |
| C5 | O | C6 | 107.8° | 105.2° |
| O | C5 | C27 | 107.5° | 104.8° |
| O | C5 | H | 109.6° | 110.4° |
| O | C6 | C7 | 110.2° | 110.3° |
| O | C6 | C26 | 103.6° | 104.8° |
| O | C6 | H1 | 109.3° | 110.5° |
| C6 | C7 | N5 | 113.4° | 109.4° |
| C7 | C6 | C26 | 117.1° | 110.3° |
| C6 | C7 | H8 | 108.5° | 109.5° |
| C6 | C7 | H9 | 108.5° | 109.5° |
| C7 | C6 | H1 | 108.3° | 110.3° |
| C7 | N5 | C8 | 112.7° | 111.0° |
| C7 | N5 | C13 | 114.6° | 111.0° |
| N5 | C7 | H8 | 108.5° | 109.5° |
| N5 | C7 | H9 | 108.5° | 109.5° |
| N5 | C8 | C9 | 114.2° | 109.4° |
| C8 | N5 | C13 | 110.2° | 111.0° |
| N5 | C8 | H10 | 108.3° | 109.4° |
| N5 | C8 | H11 | 108.3° | 109.5° |
| C8 | C9 | C10 | 113.1° | 109.5° |
| C9 | C8 | H10 | 108.3° | 109.4° |
| C9 | C8 | H11 | 108.3° | 109.5° |
| C8 | C9 | H12 | 108.6° | 109.5° |
| C8 | C9 | H13 | 108.5° | 109.5° |
| C9 | C10 | C11 | 113.0° | 109.5° |
| C10 | C9 | H12 | 108.6° | 109.5° |
| C10 | C9 | H13 | 108.6° | 109.4° |
| C9 | C10 | H15 | 108.6° | 109.5° |
| C9 | C10 | H14 | 108.6° | 109.4° |
| C10 | C11 | C12 | 177.8° | 179.9° |
| C11 | C10 | H15 | 108.6° | 109.5° |
| C11 | C10 | H14 | 108.6° | 109.5° |
| C11 | C12 | H16 | 180.0° | 179.9° |
| N5 | C13 | C14 | 114.4° | 109.5° |
| N5 | C13 | H18 | 108.2° | 109.5° |
| N5 | C13 | H17 | 108.2° | 109.5° |
| C13 | C14 | C15 | 176.8° | 180.0° |
| C14 | C13 | H18 | 108.2° | 109.4° |
| C14 | C13 | H17 | 108.2° | 109.4° |
| C14 | C15 | C16 | 167.3° | 180.0° |
| C15 | C16 | N6 | 124.3° | 125.2° |
| C15 | C16 | N10 | 122.0° | 125.2° |
| C16 | N6 | C17 | 103.7° | 109.4° |
| N6 | C16 | N10 | 113.6° | 109.6° |
| N6 | C17 | C18 | 111.1° | 107.5° |
| N6 | C17 | C20 | 131.9° | 134.4° |
| C17 | C18 | N7 | 126.6° | 119.1° |
| C18 | C17 | C20 | 117.0° | 118.1° |
| C17 | C18 | N10 | 105.8° | 106.2° |
| C18 | N7 | C19 | 111.1° | 120.6° |
| N7 | C18 | N10 | 127.6° | 134.7° |
| N7 | C19 | N8 | 128.9° | 122.5° |
| N7 | C19 | H19 | 115.5° | 118.7° |
| C19 | N8 | C20 | 118.7° | 121.2° |
| N8 | C19 | H19 | 115.6° | 118.8° |
| N8 | C20 | C17 | 117.6° | 118.4° |
| N8 | C20 | N9 | 118.5° | 120.7° |
| C17 | C20 | N9 | 123.9° | 120.8° |
| C20 | N9 | H21 | 109.5° | 120.0° |
| C20 | N9 | H20 | 109.5° | 120.1° |
| C18 | N10 | C16 | 105.8° | 107.3° |
| C18 | N10 | C21 | 126.0° | 126.3° |
| C16 | N10 | C21 | 128.1° | 126.3° |
| N10 | C21 | O1 | 108.6° | 110.4° |
| N10 | C21 | C25 | 116.2° | 110.4° |
| N10 | C21 | H2 | 109.0° | 110.3° |
| C21 | O1 | C22 | 108.2° | 105.3° |
| O1 | C21 | C25 | 105.1° | 104.8° |
| O1 | C21 | H2 | 109.7° | 110.4° |
| O1 | C22 | C23 | 109.4° | 110.3° |
| O1 | C22 | C24 | 106.7° | 104.8° |
| O1 | C22 | H3 | 109.1° | 110.4° |
| C22 | C23 | O2 | 111.3° | 109.5° |
| C23 | C22 | C24 | 115.3° | 110.4° |
| C23 | C22 | H3 | 108.2° | 110.4° |
| C22 | C23 | H23 | 109.0° | 109.5° |
| C22 | C23 | H22 | 109.0° | 109.5° |
| O2 | C23 | H23 | 109.0° | 109.5° |
| O2 | C23 | H22 | 109.0° | 109.5° |
| C23 | O2 | H24 | 109.5° | 114.0° |
| C22 | C24 | O3 | 110.6° | 110.5° |
| C22 | C24 | C25 | 103.7° | 104.1° |
| C24 | C22 | H3 | 107.9° | 110.4° |
| C22 | C24 | H25 | 109.7° | 110.5° |
| O3 | C24 | C25 | 111.6° | 110.5° |
| C24 | O3 | H26 | 109.5° | 114.1° |
| O3 | C24 | H25 | 111.3° | 110.4° |
| C24 | C25 | C21 | 101.0° | 104.0° |
| C24 | C25 | O4 | 111.5° | 110.5° |
| C25 | C24 | H25 | 109.7° | 110.6° |
| C24 | C25 | H27 | 110.2° | 110.5° |
| C21 | C25 | O4 | 111.5° | 110.5° |
| C25 | C21 | H2 | 108.1° | 110.5° |
| C21 | C25 | H27 | 110.3° | 110.6° |
| C25 | O4 | H28 | 109.5° | 114.0° |
| O4 | C25 | H27 | 111.8° | 110.5° |
| C6 | C26 | O5 | 110.9° | 110.5° |
| C6 | C26 | C27 | 102.5° | 104.0° |
| C26 | C6 | H1 | 108.2° | 110.4° |
| C6 | C26 | H29 | 110.0° | 110.5° |
| O5 | C26 | C27 | 111.8° | 110.5° |
| C26 | O5 | H30 | 109.5° | 114.0° |
| O5 | C26 | H29 | 111.5° | 110.5° |
| C26 | C27 | C5 | 103.2° | 104.1° |
| C26 | C27 | O6 | 111.5° | 110.5° |
| C27 | C26 | H29 | 109.9° | 110.6° |
| C26 | C27 | H31 | 109.8° | 110.6° |
| C5 | C27 | O6 | 110.8° | 110.5° |
| C27 | C5 | H | 108.0° | 110.4° |
| C5 | C27 | H31 | 109.8° | 110.5° |
| O6 | C27 | H31 | 111.5° | 110.6° |
| C27 | O6 | H32 | 109.5° | 114.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H5 | N | H4 | 109.5° | 120.0° |
| H15 | C10 | H14 | 109.5° | 109.5° |
| H18 | C13 | H17 | 109.5° | 109.4° |
| H23 | C23 | H22 | 109.5° | 109.5° |
| H21 | N9 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | C3 | 180.0° | 179.9° |
| N | C | N1 | C1 | 179.9° | 180.0° |
| N | C | C3 | C2 | 179.9° | 180.0° |
| N | C | C3 | N3 | 0.8° | 0.0° |
| C | N | H5 | H4 | 120.0° | 180.0° |
| C | N1 | C1 | N2 | 0.0° | 0.0° |
| N1 | C | C3 | C2 | 0.1° | 0.1° |
| N1 | C | C3 | N3 | 179.2° | 179.9° |
| C | N1 | C1 | H6 | 179.9° | 180.0° |
| N1 | C | N | H5 | 0.0° | 0.1° |
| N1 | C | N | H4 | 120.0° | 180.0° |
| N1 | C1 | N2 | H6 | 180.0° | 180.0° |
| N1 | C1 | N2 | C2 | 0.3° | 0.0° |
| C1 | N1 | C | C3 | 0.1° | 0.1° |
| C1 | N2 | C2 | C3 | 0.5° | 0.0° |
| C1 | N2 | C2 | N4 | 178.6° | 179.9° |
| N2 | C2 | C3 | N4 | 179.3° | 179.9° |
| N2 | C2 | C3 | C | 0.4° | 0.1° |
| N2 | C2 | C3 | N3 | 179.8° | 179.9° |
| N2 | C2 | N4 | C4 | 179.8° | 179.9° |
| N2 | C2 | N4 | C5 | 2.0° | 0.1° |
| C2 | N2 | C1 | H6 | 179.6° | 180.0° |
| C2 | C3 | C | N3 | 179.1° | 180.0° |
| C2 | C3 | N3 | C4 | 0.2° | 0.1° |
| C3 | C2 | N4 | C4 | 0.5° | 0.0° |
| C3 | C2 | N4 | C5 | 177.4° | 179.9° |
| C | C3 | N3 | C4 | 179.0° | 180.0° |
| C | C3 | C2 | N4 | 178.9° | 180.0° |
| C3 | C | N | H5 | 180.0° | 180.0° |
| C3 | C | N | H4 | 60.0° | 0.0° |
| C3 | N3 | C4 | N4 | 0.1° | 0.0° |
| N3 | C3 | C2 | N4 | 0.4° | 0.1° |
| C3 | N3 | C4 | H7 | 179.9° | 179.9° |
| N3 | C4 | N4 | H7 | 180.0° | 179.9° |
| N3 | C4 | N4 | C2 | 0.4° | 0.0° |
| N3 | C4 | N4 | C5 | 177.4° | 180.0° |
| C4 | N4 | C2 | C5 | 177.8° | 180.0° |
| C4 | N4 | C5 | O | 55.2° | 23.6° |
| C4 | N4 | C5 | C27 | 64.8° | 91.8° |
| C4 | N4 | C5 | H | 174.6° | 145.9° |
| C2 | N4 | C5 | O | 127.5° | 156.4° |
| C2 | N4 | C5 | C27 | 112.6° | 88.2° |
| C2 | N4 | C5 | H | 8.0° | 34.1° |
| C2 | N4 | C4 | H7 | 179.7° | 179.9° |
| N4 | C5 | O | C27 | 123.8° | 118.8° |
| N4 | C5 | O | H | 119.1° | 122.4° |
| N4 | C5 | O | C6 | 144.9° | 159.4° |
| N4 | C5 | C27 | C26 | 117.0° | 142.8° |
| N4 | C5 | C27 | H | 121.2° | 122.3° |
| N4 | C5 | C27 | O6 | 123.5° | 98.6° |
| C5 | N4 | C4 | H7 | 2.5° | 0.1° |
| N4 | C5 | C27 | H31 | 0.0° | 24.1° |
| C5 | O | C6 | C7 | 163.5° | 159.3° |
| C5 | O | C6 | C26 | 37.5° | 40.6° |
| O | C5 | C27 | C26 | 3.6° | 24.0° |
| O | C5 | C27 | H | 118.1° | 118.8° |
| O | C5 | C27 | O6 | 115.8° | 142.6° |
| C5 | O | C6 | H1 | 77.7° | 78.4° |
| O | C5 | C27 | H31 | 120.7° | 94.7° |
| O | C6 | C7 | C26 | 117.9° | 115.4° |
| O | C6 | C7 | H1 | 119.5° | 122.4° |
| O | C6 | C7 | N5 | 67.8° | 70.8° |
| O | C6 | C26 | H1 | 115.9° | 119.0° |
| O | C6 | C26 | O5 | 157.6° | 142.6° |
| O | C6 | C26 | C27 | 38.1° | 24.0° |
| C6 | O | C5 | C27 | 21.1° | 40.5° |
| O | C6 | C7 | H8 | 171.6° | 169.2° |
| O | C6 | C7 | H9 | 52.8° | 49.2° |
| C6 | O | C5 | H | 96.0° | 78.3° |
| O | C6 | C26 | H29 | 78.7° | 94.7° |
| C6 | C7 | N5 | H8 | 120.6° | 120.0° |
| C6 | C7 | N5 | H9 | 120.6° | 120.0° |
| C6 | C7 | N5 | C8 | 152.5° | 73.8° |
| C6 | C7 | N5 | C13 | 80.4° | 162.3° |
| C7 | C6 | C26 | H1 | 122.6° | 122.2° |
| C7 | C6 | C26 | O5 | 81.0° | 98.6° |
| C7 | C6 | C26 | C27 | 159.6° | 142.8° |
| C6 | C7 | H8 | H9 | 118.2° | 120.0° |
| C7 | C6 | C26 | H29 | 42.8° | 24.1° |
| C7 | N5 | C8 | C13 | 129.4° | 123.9° |
| C7 | N5 | C8 | C9 | 90.2° | 58.6° |
| C7 | N5 | C13 | C14 | 82.1° | 159.5° |
| N5 | C7 | C6 | C26 | 174.2° | 173.8° |
| N5 | C7 | H8 | H9 | 118.2° | 120.0° |
| C7 | N5 | C8 | H10 | 149.1° | 178.5° |
| C7 | N5 | C8 | H11 | 30.4° | 61.5° |
| N5 | C7 | C6 | H1 | 51.6° | 51.6° |
| C7 | N5 | C13 | H18 | 38.6° | 80.5° |
| C7 | N5 | C13 | H17 | 157.2° | 39.5° |
| N5 | C8 | C9 | H10 | 120.7° | 119.9° |
| N5 | C8 | C9 | H11 | 120.7° | 120.0° |
| N5 | C8 | C9 | C10 | 87.6° | 178.5° |
| C8 | N5 | C13 | C14 | 149.6° | 76.6° |
| C8 | N5 | C7 | H8 | 86.9° | 166.3° |
| C8 | N5 | C7 | H9 | 31.9° | 46.2° |
| N5 | C8 | H10 | H11 | 117.9° | 120.0° |
| N5 | C8 | C9 | H12 | 32.9° | 61.5° |
| N5 | C8 | C9 | H13 | 151.8° | 58.5° |
| C8 | N5 | C13 | H18 | 89.7° | 43.5° |
| C8 | N5 | C13 | H17 | 28.9° | 163.4° |
| C8 | C9 | C10 | H12 | 120.6° | 120.0° |
| C8 | C9 | C10 | H13 | 120.5° | 119.9° |
| C8 | C9 | C10 | C11 | 125.3° | 175.1° |
| C9 | C8 | N5 | C13 | 140.4° | 65.4° |
| C9 | C8 | H10 | H11 | 117.8° | 120.1° |
| C8 | C9 | H12 | H13 | 118.3° | 120.0° |
| C8 | C9 | C10 | H15 | 4.7° | 55.1° |
| C8 | C9 | C10 | H14 | 114.2° | 64.9° |
| C9 | C10 | C11 | H15 | 120.5° | 120.1° |
| C9 | C10 | C11 | H14 | 120.5° | 119.9° |
| C9 | C10 | C11 | C12 | 28.3° | 5.9° |
| C10 | C9 | C8 | H10 | 151.7° | 61.6° |
| C10 | C9 | C8 | H11 | 33.1° | 58.5° |
| C10 | C9 | H12 | H13 | 118.4° | 120.0° |
| C9 | C10 | H15 | H14 | 118.4° | 120.0° |
| C11 | C10 | C9 | H12 | 114.2° | 64.8° |
| C11 | C10 | C9 | H13 | 4.7° | 55.2° |
| C11 | C10 | H15 | H14 | 118.4° | 120.0° |
| C10 | C11 | C12 | H16 | 1.3° | 140.6° |
| C12 | C11 | C10 | H15 | 92.2° | 114.2° |
| C12 | C11 | C10 | H14 | 148.9° | 125.8° |
| N5 | C13 | C14 | H18 | 120.7° | 120.1° |
| N5 | C13 | C14 | H17 | 120.7° | 120.0° |
| N5 | C13 | C14 | C15 | 42.7° | 15.3° |
| C13 | N5 | C7 | H8 | 40.2° | 42.3° |
| C13 | N5 | C7 | H9 | 159.0° | 77.7° |
| C13 | N5 | C8 | H10 | 19.7° | 54.5° |
| C13 | N5 | C8 | H11 | 99.0° | 174.6° |
| N5 | C13 | H18 | H17 | 117.8° | 120.0° |
| C13 | C14 | C15 | C16 | 158.7° | 24.4° |
| C14 | C13 | H18 | H17 | 117.8° | 119.9° |
| C14 | C15 | C16 | N6 | 1.1° | 170.9° |
| C14 | C15 | C16 | N10 | 174.7° | 8.8° |
| C15 | C14 | C13 | H18 | 163.4° | 104.7° |
| C15 | C14 | C13 | H17 | 78.0° | 135.4° |
| C15 | C16 | N6 | N10 | 176.1° | 179.7° |
| C15 | C16 | N6 | C17 | 175.1° | 180.0° |
| C15 | C16 | N10 | C18 | 175.5° | 180.0° |
| C15 | C16 | N10 | C21 | 1.7° | 0.1° |
| C16 | N6 | C17 | C18 | 0.8° | 0.2° |
| C16 | N6 | C17 | C20 | 177.1° | 179.9° |
| N6 | C16 | N10 | C18 | 0.7° | 0.3° |
| N6 | C16 | N10 | C21 | 177.9° | 179.8° |
| N6 | C17 | C18 | C20 | 178.3° | 179.9° |
| N6 | C17 | C18 | N7 | 178.5° | 180.0° |
| N6 | C17 | C20 | N8 | 178.0° | 180.0° |
| N6 | C17 | C20 | N9 | 1.4° | 0.1° |
| N6 | C17 | C18 | N10 | 0.4° | 0.0° |
| C17 | N6 | C16 | N10 | 1.0° | 0.3° |
| C17 | C18 | N7 | N10 | 177.7° | 180.0° |
| C17 | C18 | N7 | C19 | 0.3° | 0.0° |
| C18 | C17 | C20 | N8 | 0.1° | 0.1° |
| C18 | C17 | C20 | N9 | 179.3° | 180.0° |
| C17 | C18 | N10 | C16 | 0.2° | 0.2° |
| C17 | C18 | N10 | C21 | 177.4° | 179.9° |
| C18 | N7 | C19 | N8 | 0.3° | 0.0° |
| N7 | C18 | C17 | C20 | 0.2° | 0.1° |
| N7 | C18 | N10 | C16 | 177.9° | 179.8° |
| N7 | C18 | N10 | C21 | 0.6° | 0.1° |
| C18 | N7 | C19 | H19 | 179.7° | 180.0° |
| N7 | C19 | N8 | H19 | 180.0° | 180.0° |
| N7 | C19 | N8 | C20 | 0.2° | 0.0° |
| C19 | N7 | C18 | N10 | 177.4° | 180.0° |
| C19 | N8 | C20 | C17 | 0.1° | 0.0° |
| C19 | N8 | C20 | N9 | 179.4° | 180.0° |
| N8 | C20 | C17 | N9 | 179.4° | 180.0° |
| C20 | N8 | C19 | H19 | 179.7° | 180.0° |
| N8 | C20 | N9 | H21 | 0.0° | 180.0° |
| N8 | C20 | N9 | H20 | 120.0° | 0.0° |
| C20 | C17 | C18 | N10 | 177.9° | 179.9° |
| C17 | C20 | N9 | H21 | 179.4° | 0.1° |
| C17 | C20 | N9 | H20 | 59.4° | 180.0° |
| C20 | N9 | H21 | H20 | 120.0° | 180.0° |
| C18 | N10 | C16 | C21 | 177.2° | 179.9° |
| C18 | N10 | C21 | O1 | 113.3° | 133.5° |
| C18 | N10 | C21 | C25 | 128.5° | 111.2° |
| C18 | N10 | C21 | H2 | 6.1° | 11.2° |
| C16 | N10 | C21 | O1 | 63.3° | 46.6° |
| C16 | N10 | C21 | C25 | 54.8° | 68.7° |
| C16 | N10 | C21 | H2 | 177.3° | 168.9° |
| N10 | C21 | O1 | C25 | 125.0° | 118.9° |
| N10 | C21 | O1 | H2 | 119.0° | 122.2° |
| N10 | C21 | O1 | C22 | 159.7° | 159.4° |
| N10 | C21 | C25 | C24 | 159.3° | 142.8° |
| N10 | C21 | C25 | H2 | 122.9° | 122.3° |
| N10 | C21 | C25 | O4 | 82.2° | 98.5° |
| N10 | C21 | C25 | H27 | 42.7° | 24.1° |
| C21 | O1 | C22 | C23 | 140.8° | 159.4° |
| C21 | O1 | C22 | C24 | 15.4° | 40.6° |
| O1 | C21 | C25 | C24 | 39.2° | 24.0° |
| O1 | C21 | C25 | H2 | 117.0° | 118.9° |
| O1 | C21 | C25 | O4 | 157.8° | 142.6° |
| C21 | O1 | C22 | H3 | 101.0° | 78.3° |
| O1 | C21 | C25 | H27 | 77.3° | 94.7° |
| O1 | C22 | C23 | C24 | 120.3° | 115.3° |
| O1 | C22 | C23 | H3 | 118.7° | 122.3° |
| O1 | C22 | C23 | O2 | 63.9° | 66.7° |
| O1 | C22 | C24 | H3 | 117.1° | 118.8° |
| O1 | C22 | C24 | O3 | 110.0° | 142.7° |
| O1 | C22 | C24 | C25 | 9.8° | 24.0° |
| C22 | O1 | C21 | C25 | 34.7° | 40.5° |
| C22 | O1 | C21 | H2 | 81.3° | 78.4° |
| O1 | C22 | C23 | H23 | 56.3° | 173.3° |
| O1 | C22 | C23 | H22 | 175.8° | 53.3° |
| O1 | C22 | C24 | H25 | 126.9° | 94.8° |
| C22 | C23 | O2 | H23 | 120.3° | 120.0° |
| C22 | C23 | O2 | H22 | 120.3° | 120.1° |
| C23 | C22 | C24 | H3 | 121.1° | 122.4° |
| C23 | C22 | C24 | O3 | 128.2° | 98.5° |
| C23 | C22 | C24 | C25 | 112.0° | 142.8° |
| C22 | C23 | H23 | H22 | 119.2° | 120.0° |
| C23 | C22 | C24 | H25 | 5.1° | 24.0° |
| C22 | C23 | O2 | H24 | 180.0° | 180.0° |
| O2 | C23 | C22 | C24 | 56.4° | 177.9° |
| O2 | C23 | C22 | H3 | 177.3° | 55.5° |
| O2 | C23 | H23 | H22 | 119.2° | 120.0° |
| C22 | C24 | O3 | C25 | 114.9° | 114.7° |
| C22 | C24 | O3 | H25 | 122.2° | 122.6° |
| C22 | C24 | C25 | H25 | 117.1° | 118.7° |
| C22 | C24 | C25 | C21 | 28.7° | 0.0° |
| C22 | C24 | C25 | O4 | 147.3° | 118.6° |
| C22 | C24 | O3 | H26 | 180.0° | 61.4° |
| C24 | C22 | C23 | H23 | 176.7° | 58.0° |
| C24 | C22 | C23 | H22 | 63.9° | 62.0° |
| C22 | C24 | C25 | H27 | 87.9° | 118.8° |
| O3 | C24 | C25 | H25 | 123.8° | 122.6° |
| O3 | C24 | C25 | C21 | 90.4° | 118.7° |
| O3 | C24 | C25 | O4 | 28.2° | 0.0° |
| O3 | C24 | C22 | H3 | 7.1° | 23.9° |
| O3 | C24 | C25 | H27 | 153.0° | 122.6° |
| C24 | C25 | C21 | O4 | 118.6° | 118.7° |
| C24 | C25 | C21 | H27 | 116.5° | 118.7° |
| C24 | C25 | O4 | H27 | 123.9° | 122.6° |
| C24 | C25 | O4 | H28 | 180.0° | 57.3° |
| C25 | C24 | O3 | H26 | 65.1° | 176.1° |
| C24 | C25 | C21 | H2 | 77.8° | 94.9° |
| C25 | C24 | C22 | H3 | 126.9° | 94.8° |
| C21 | C25 | O4 | H27 | 124.0° | 122.7° |
| C21 | C25 | O4 | H28 | 67.9° | 171.9° |
| C21 | C25 | C24 | H25 | 145.8° | 118.7° |
| O4 | C25 | C21 | H2 | 40.7° | 23.8° |
| O4 | C25 | C24 | H25 | 95.6° | 122.7° |
| C6 | C26 | O5 | C27 | 113.7° | 114.6° |
| C6 | C26 | O5 | H29 | 123.0° | 122.7° |
| C6 | C26 | C27 | H29 | 116.9° | 118.7° |
| C6 | C26 | C27 | C5 | 25.0° | 0.0° |
| C6 | C26 | C27 | O6 | 93.9° | 118.6° |
| C26 | C6 | C7 | H8 | 53.6° | 53.8° |
| C26 | C6 | C7 | H9 | 65.2° | 66.2° |
| C6 | C26 | O5 | H30 | 180.0° | 179.9° |
| C6 | C26 | C27 | H31 | 142.1° | 118.7° |
| O5 | C26 | C27 | H29 | 124.3° | 122.7° |
| O5 | C26 | C27 | C5 | 143.9° | 118.6° |
| O5 | C26 | C27 | O6 | 24.9° | 0.0° |
| O5 | C26 | C6 | H1 | 41.7° | 23.6° |
| O5 | C26 | C27 | H31 | 99.1° | 122.7° |
| C26 | C27 | C5 | O6 | 119.4° | 118.6° |
| C26 | C27 | C5 | H31 | 117.1° | 118.7° |
| C26 | C27 | O6 | H31 | 123.1° | 122.7° |
| C27 | C26 | O5 | H30 | 66.3° | 65.3° |
| C26 | C27 | C5 | H | 121.7° | 94.8° |
| C27 | C26 | C6 | H1 | 77.8° | 95.0° |
| C26 | C27 | O6 | H32 | 180.0° | 65.4° |
| C5 | C27 | O6 | H31 | 122.5° | 122.7° |
| C5 | C27 | C26 | H29 | 91.9° | 118.7° |
| C5 | C27 | O6 | H32 | 65.7° | 180.0° |
| O6 | C27 | C5 | H | 2.3° | 23.8° |
| O6 | C27 | C26 | H29 | 149.2° | 122.7° |
| H8 | C7 | C6 | H1 | 69.0° | 68.4° |
| H9 | C7 | C6 | H1 | 172.2° | 171.6° |
| H10 | C8 | C9 | H12 | 87.7° | 58.4° |
| H10 | C8 | C9 | H13 | 31.2° | 178.5° |
| H11 | C8 | C9 | H12 | 153.6° | 178.5° |
| H11 | C8 | C9 | H13 | 87.5° | 61.5° |
| H12 | C9 | C10 | H15 | 125.3° | 175.1° |
| H12 | C9 | C10 | H14 | 6.3° | 55.1° |
| H13 | C9 | C10 | H15 | 115.8° | 64.9° |
| H13 | C9 | C10 | H14 | 125.3° | 175.1° |
| H30 | O5 | C26 | H29 | 57.1° | 57.4° |
| H | C5 | C27 | H31 | 121.2° | 146.5° |
| H1 | C6 | C26 | H29 | 165.4° | 146.3° |
| H28 | O4 | C25 | H27 | 56.1° | 65.3° |
| H26 | O3 | C24 | H25 | 57.8° | 61.2° |
| H2 | C21 | C25 | H27 | 165.6° | 146.4° |
| H3 | C22 | C23 | H23 | 62.4° | 64.4° |
| H3 | C22 | C23 | H22 | 57.0° | 175.6° |
| H3 | C22 | C24 | H25 | 116.0° | 146.4° |
| H23 | C23 | O2 | H24 | 59.7° | 60.0° |
| H22 | C23 | O2 | H24 | 59.7° | 60.0° |
| H25 | C24 | C25 | H27 | 29.2° | 0.0° |
| H29 | C26 | C27 | H31 | 25.1° | 0.0° |
| H31 | C27 | O6 | H32 | 56.9° | 57.3° |
