UXX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| N | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O | doub | 1.22Å | 1.23Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | O1 | sing | 1.44Å | 1.45Å | |
| O1 | C5 | sing | 1.44Å | 1.41Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| O2 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C7 | C4 | sing | 1.54Å | 1.53Å | |
| O3 | C7 | sing | 1.43Å | 1.42Å | |
| N2 | C5 | sing | 1.47Å | 1.45Å | |
| N2 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C9 | sing | 1.35Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| N4 | C10 | sing | 1.38Å | 1.33Å | |
| C10 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| N5 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | N6 | sing | 1.32Å | 1.33Å | Aromatic |
| N6 | C12 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.43Å | 1.41Å | |
| C14 | C13 | trip | 1.17Å | 1.19Å | |
| C15 | C14 | sing | 1.47Å | 1.47Å | |
| N7 | C15 | sing | 1.47Å | 1.46Å | |
| C16 | N7 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | trip | 1.17Å | 1.17Å | |
| C21 | N7 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | O4 | sing | 1.44Å | 1.44Å | |
| O4 | C23 | sing | 1.44Å | 1.41Å | |
| C23 | C24 | sing | 1.55Å | 1.54Å | |
| O5 | C24 | sing | 1.43Å | 1.42Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| C25 | C22 | sing | 1.54Å | 1.52Å | |
| O6 | C25 | sing | 1.43Å | 1.42Å | |
| N8 | C23 | sing | 1.47Å | 1.45Å | |
| N8 | C26 | sing | 1.36Å | 1.37Å | Aromatic |
| C26 | N9 | doub | 1.30Å | 1.31Å | Aromatic |
| N9 | C27 | sing | 1.35Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| N10 | C28 | sing | 1.38Å | 1.33Å | |
| C28 | N11 | sing | 1.33Å | 1.35Å | Aromatic |
| N11 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| C29 | N12 | sing | 1.32Å | 1.34Å | Aromatic |
| N12 | C30 | doub | 1.33Å | 1.34Å | Aromatic |
| C30 | N8 | sing | 1.37Å | 1.38Å | Aromatic |
| C27 | C30 | sing | 1.41Å | 1.38Å | Aromatic |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| O5 | H32 | sing | 0.97Å | 0.95Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.05Å | 1.06Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | H38 | sing | 1.08Å | 1.08Å | |
| N10 | H37 | sing | 0.97Å | 1.00Å | |
| N10 | H36 | sing | 0.97Å | 1.00Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| O6 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 112.6° | 109.4° |
| C | C1 | H8 | 108.7° | 109.5° |
| C | C1 | H7 | 108.7° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H4 | 109.4° | 109.5° |
| C1 | C | H5 | 109.5° | 109.4° |
| C1 | N | C2 | 122.0° | 120.0° |
| N | C1 | H8 | 108.7° | 109.5° |
| N | C1 | H7 | 108.7° | 109.5° |
| C1 | N | H9 | 119.0° | 120.0° |
| N | C2 | O | 122.5° | 120.0° |
| N | C2 | N1 | 115.2° | 120.0° |
| C2 | N | H9 | 119.0° | 120.0° |
| O | C2 | N1 | 122.3° | 120.0° |
| C2 | N1 | C3 | 122.5° | 120.0° |
| C2 | N1 | H10 | 118.7° | 120.0° |
| N1 | C3 | C4 | 113.3° | 109.5° |
| C3 | N1 | H10 | 118.7° | 120.0° |
| N1 | C3 | H12 | 108.5° | 109.5° |
| N1 | C3 | H11 | 108.5° | 109.5° |
| C3 | C4 | O1 | 108.3° | 109.9° |
| C3 | C4 | C7 | 115.2° | 109.9° |
| C3 | C4 | H | 108.9° | 109.9° |
| C4 | C3 | H12 | 108.5° | 109.5° |
| C4 | C3 | H11 | 108.5° | 109.4° |
| C4 | O1 | C5 | 108.7° | 106.9° |
| O1 | C4 | C7 | 106.0° | 107.3° |
| O1 | C4 | H | 109.8° | 110.0° |
| O1 | C5 | C6 | 105.7° | 103.5° |
| O1 | C5 | N2 | 110.1° | 110.6° |
| O1 | C5 | H1 | 108.6° | 110.7° |
| C5 | C6 | O2 | 110.8° | 110.9° |
| C5 | C6 | C7 | 99.4° | 102.1° |
| C6 | C5 | N2 | 116.8° | 110.6° |
| C6 | C5 | H1 | 107.2° | 110.7° |
| C5 | C6 | H13 | 110.7° | 110.9° |
| O2 | C6 | C7 | 112.4° | 110.9° |
| O2 | C6 | H13 | 112.3° | 110.8° |
| C6 | O2 | H14 | 109.5° | 114.0° |
| C6 | C7 | C4 | 102.4° | 104.2° |
| C6 | C7 | O3 | 110.3° | 110.6° |
| C6 | C7 | H15 | 110.5° | 110.4° |
| C7 | C6 | H13 | 110.6° | 110.9° |
| C4 | C7 | O3 | 110.6° | 110.5° |
| C4 | C7 | H15 | 110.5° | 110.5° |
| C7 | C4 | H | 108.6° | 109.9° |
| O3 | C7 | H15 | 112.1° | 110.5° |
| C7 | O3 | H16 | 109.5° | 114.0° |
| C5 | N2 | C8 | 128.9° | 126.3° |
| C5 | N2 | C12 | 125.1° | 126.3° |
| N2 | C5 | H1 | 108.1° | 110.5° |
| N2 | C8 | N3 | 113.2° | 109.6° |
| C8 | N2 | C12 | 106.0° | 107.4° |
| N2 | C8 | C13 | 122.1° | 125.2° |
| C8 | N3 | C9 | 104.1° | 109.4° |
| N3 | C8 | C13 | 124.6° | 125.2° |
| N3 | C9 | C10 | 132.1° | 134.5° |
| N3 | C9 | C12 | 110.9° | 107.5° |
| C9 | C10 | N4 | 124.0° | 120.8° |
| C9 | C10 | N5 | 117.7° | 118.5° |
| C10 | C9 | C12 | 116.9° | 118.1° |
| N4 | C10 | N5 | 118.3° | 120.7° |
| C10 | N4 | H17 | 109.5° | 120.0° |
| C10 | N4 | H18 | 109.4° | 120.1° |
| C10 | N5 | C11 | 118.7° | 121.2° |
| N5 | C11 | N6 | 128.9° | 122.5° |
| N5 | C11 | H19 | 115.5° | 118.7° |
| C11 | N6 | C12 | 111.0° | 120.7° |
| N6 | C11 | H19 | 115.5° | 118.8° |
| N6 | C12 | N2 | 127.5° | 134.7° |
| N6 | C12 | C9 | 126.7° | 119.1° |
| N2 | C12 | C9 | 105.8° | 106.2° |
| C8 | C13 | C14 | 175.8° | 180.0° |
| C13 | C14 | C15 | 175.3° | 180.0° |
| C14 | C15 | N7 | 115.1° | 109.5° |
| C14 | C15 | H20 | 108.0° | 109.5° |
| C14 | C15 | H21 | 108.0° | 109.5° |
| C15 | N7 | C16 | 106.8° | 111.0° |
| C15 | N7 | C21 | 115.4° | 111.1° |
| N7 | C15 | H20 | 108.0° | 109.5° |
| N7 | C15 | H21 | 108.1° | 109.4° |
| N7 | C16 | C17 | 112.7° | 109.5° |
| C16 | N7 | C21 | 110.6° | 111.0° |
| N7 | C16 | H22 | 108.7° | 109.5° |
| N7 | C16 | H23 | 108.7° | 109.5° |
| C16 | C17 | C18 | 112.3° | 109.5° |
| C17 | C16 | H22 | 108.7° | 109.4° |
| C17 | C16 | H23 | 108.6° | 109.4° |
| C16 | C17 | H25 | 108.8° | 109.5° |
| C16 | C17 | H24 | 108.7° | 109.4° |
| C17 | C18 | C19 | 113.0° | 109.5° |
| C18 | C17 | H25 | 108.8° | 109.5° |
| C18 | C17 | H24 | 108.8° | 109.5° |
| C17 | C18 | H26 | 108.6° | 109.5° |
| C17 | C18 | H27 | 108.6° | 109.5° |
| C18 | C19 | C20 | 177.9° | 179.9° |
| C19 | C18 | H26 | 108.6° | 109.4° |
| C19 | C18 | H27 | 108.6° | 109.5° |
| C19 | C20 | H28 | 180.0° | 179.9° |
| N7 | C21 | C22 | 112.5° | 109.5° |
| N7 | C21 | H29 | 108.7° | 109.5° |
| N7 | C21 | H30 | 108.7° | 109.5° |
| C21 | C22 | O4 | 110.2° | 109.9° |
| C21 | C22 | C25 | 118.1° | 109.9° |
| C22 | C21 | H29 | 108.7° | 109.4° |
| C22 | C21 | H30 | 108.7° | 109.5° |
| C21 | C22 | H2 | 108.0° | 109.9° |
| C22 | O4 | C23 | 106.8° | 106.9° |
| O4 | C22 | C25 | 103.5° | 107.3° |
| O4 | C22 | H2 | 108.9° | 109.9° |
| O4 | C23 | C24 | 107.4° | 103.5° |
| O4 | C23 | N8 | 109.2° | 110.6° |
| O4 | C23 | H3 | 109.7° | 110.7° |
| C23 | C24 | O5 | 109.5° | 110.9° |
| C23 | C24 | C25 | 103.4° | 102.1° |
| C24 | C23 | N8 | 113.3° | 110.6° |
| C24 | C23 | H3 | 108.0° | 110.7° |
| C23 | C24 | H31 | 109.6° | 111.0° |
| O5 | C24 | C25 | 112.9° | 110.9° |
| C24 | O5 | H32 | 109.5° | 114.0° |
| O5 | C24 | H31 | 111.4° | 110.8° |
| C24 | C25 | C22 | 102.3° | 104.2° |
| C24 | C25 | O6 | 112.7° | 110.5° |
| C25 | C24 | H31 | 109.8° | 110.9° |
| C24 | C25 | H33 | 109.4° | 110.5° |
| C22 | C25 | O6 | 111.7° | 110.5° |
| C25 | C22 | H2 | 107.8° | 110.0° |
| C22 | C25 | H33 | 109.6° | 110.5° |
| O6 | C25 | H33 | 110.9° | 110.5° |
| C25 | O6 | H34 | 109.5° | 114.0° |
| C23 | N8 | C26 | 127.3° | 126.3° |
| C23 | N8 | C30 | 127.1° | 126.3° |
| N8 | C23 | H3 | 109.1° | 110.6° |
| N8 | C26 | N9 | 114.2° | 110.0° |
| C26 | N8 | C30 | 105.5° | 107.5° |
| N8 | C26 | H35 | 122.9° | 125.0° |
| C26 | N9 | C27 | 103.6° | 109.5° |
| N9 | C26 | H35 | 122.9° | 125.0° |
| N9 | C27 | C28 | 132.4° | 134.7° |
| N9 | C27 | C30 | 110.7° | 107.1° |
| C27 | C28 | N10 | 123.9° | 120.8° |
| C27 | C28 | N11 | 117.7° | 118.5° |
| C28 | C27 | C30 | 116.9° | 118.2° |
| N10 | C28 | N11 | 118.3° | 120.8° |
| C28 | N10 | H37 | 109.5° | 120.0° |
| C28 | N10 | H36 | 109.5° | 120.0° |
| C28 | N11 | C29 | 118.7° | 121.2° |
| N11 | C29 | N12 | 128.8° | 122.5° |
| N11 | C29 | H38 | 115.6° | 118.8° |
| C29 | N12 | C30 | 111.1° | 120.6° |
| N12 | C29 | H38 | 115.6° | 118.8° |
| N12 | C30 | N8 | 127.3° | 134.9° |
| N12 | C30 | C27 | 126.8° | 119.1° |
| N8 | C30 | C27 | 105.9° | 106.0° |
| H8 | C1 | H7 | 109.5° | 109.5° |
| H12 | C3 | H11 | 109.5° | 109.5° |
| H17 | N4 | H18 | 109.4° | 120.0° |
| H6 | C | H4 | 109.5° | 109.5° |
| H6 | C | H5 | 109.5° | 109.4° |
| H4 | C | H5 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.4° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H25 | C17 | H24 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H37 | N10 | H36 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H8 | 120.4° | 120.0° |
| C | C1 | N | H7 | 120.5° | 120.0° |
| C | C1 | N | C2 | 87.1° | 176.1° |
| C | C1 | H8 | H7 | 118.6° | 120.0° |
| C | C1 | N | H9 | 92.9° | 4.0° |
| C1 | C | H6 | H4 | 120.0° | 120.1° |
| C1 | C | H6 | H5 | 120.0° | 119.9° |
| C1 | C | H4 | H5 | 120.0° | 119.9° |
| C1 | N | C2 | H9 | 180.0° | 179.9° |
| C1 | N | C2 | O | 3.0° | 4.7° |
| C1 | N | C2 | N1 | 176.6° | 175.2° |
| N | C1 | H8 | H7 | 118.6° | 120.0° |
| N | C1 | C | H6 | 180.0° | 60.0° |
| N | C1 | C | H4 | 60.0° | 60.1° |
| N | C1 | C | H5 | 60.0° | 180.0° |
| N | C2 | O | N1 | 179.5° | 180.0° |
| N | C2 | N1 | C3 | 175.8° | 175.0° |
| N | C2 | N1 | H10 | 4.2° | 4.8° |
| C2 | N | C1 | H8 | 152.4° | 63.9° |
| C2 | N | C1 | H7 | 33.4° | 56.1° |
| O | C2 | N1 | C3 | 3.7° | 5.0° |
| O | C2 | N1 | H10 | 176.3° | 175.3° |
| O | C2 | N | H9 | 177.0° | 175.2° |
| C2 | N1 | C3 | H10 | 180.0° | 179.8° |
| C2 | N1 | C3 | C4 | 94.0° | 177.8° |
| C2 | N1 | C3 | H12 | 145.4° | 62.2° |
| C2 | N1 | C3 | H11 | 26.5° | 57.8° |
| N1 | C2 | N | H9 | 3.4° | 4.9° |
| N1 | C3 | C4 | H12 | 120.6° | 120.0° |
| N1 | C3 | C4 | H11 | 120.5° | 120.0° |
| N1 | C3 | C4 | O1 | 61.5° | 68.2° |
| N1 | C3 | C4 | C7 | 179.9° | 173.9° |
| N1 | C3 | C4 | H | 57.8° | 52.9° |
| N1 | C3 | H12 | H11 | 118.2° | 120.0° |
| C3 | C4 | O1 | C7 | 124.2° | 119.5° |
| C3 | C4 | O1 | H | 118.7° | 121.0° |
| C3 | C4 | O1 | C5 | 125.4° | 146.0° |
| C3 | C4 | C7 | C6 | 95.2° | 121.5° |
| C3 | C4 | C7 | H | 122.4° | 121.0° |
| C3 | C4 | C7 | O3 | 147.2° | 119.7° |
| C4 | C3 | N1 | H10 | 86.0° | 2.4° |
| C3 | C4 | C7 | H15 | 22.5° | 2.9° |
| C4 | C3 | H12 | H11 | 118.2° | 119.9° |
| C4 | O1 | C5 | C6 | 26.9° | 40.1° |
| O1 | C4 | C7 | C6 | 24.5° | 2.0° |
| O1 | C4 | C7 | H | 117.9° | 119.5° |
| O1 | C4 | C7 | O3 | 93.0° | 120.8° |
| C4 | O1 | C5 | N2 | 153.9° | 158.5° |
| O1 | C4 | C7 | H15 | 142.2° | 116.6° |
| C4 | O1 | C5 | H1 | 87.9° | 78.6° |
| O1 | C4 | C3 | H12 | 59.1° | 51.9° |
| O1 | C4 | C3 | H11 | 178.0° | 171.8° |
| O1 | C5 | C6 | N2 | 122.8° | 118.5° |
| O1 | C5 | C6 | H1 | 115.7° | 118.6° |
| O1 | C5 | C6 | O2 | 159.3° | 155.2° |
| O1 | C5 | C6 | C7 | 40.9° | 37.0° |
| C5 | O1 | C4 | C7 | 1.2° | 26.5° |
| O1 | C5 | N2 | H1 | 118.6° | 123.0° |
| O1 | C5 | N2 | C8 | 63.0° | 46.7° |
| O1 | C5 | N2 | C12 | 119.8° | 133.3° |
| O1 | C5 | C6 | H13 | 75.5° | 81.1° |
| C5 | O1 | C4 | H | 115.9° | 93.0° |
| C5 | C6 | O2 | C7 | 110.2° | 112.7° |
| C5 | C6 | O2 | H13 | 124.3° | 123.7° |
| C5 | C6 | C7 | H13 | 116.4° | 118.2° |
| C5 | C6 | C7 | C4 | 38.5° | 20.9° |
| C5 | C6 | C7 | O3 | 79.2° | 97.9° |
| C6 | C5 | N2 | H1 | 120.9° | 123.0° |
| C6 | C5 | N2 | C8 | 57.5° | 67.4° |
| C6 | C5 | N2 | C12 | 119.7° | 112.7° |
| C5 | C6 | C7 | H15 | 156.2° | 139.5° |
| C5 | C6 | O2 | H14 | 180.0° | 180.0° |
| O2 | C6 | C7 | H13 | 126.4° | 123.6° |
| O2 | C6 | C7 | C4 | 155.7° | 139.1° |
| O2 | C6 | C7 | O3 | 38.0° | 20.3° |
| O2 | C6 | C5 | N2 | 77.9° | 86.3° |
| O2 | C6 | C7 | H15 | 86.6° | 102.3° |
| O2 | C6 | C5 | H1 | 43.6° | 36.6° |
| C6 | C7 | C4 | O3 | 117.6° | 118.8° |
| C6 | C7 | C4 | H15 | 117.7° | 118.6° |
| C6 | C7 | O3 | H15 | 123.7° | 122.6° |
| C7 | C6 | C5 | N2 | 163.7° | 155.5° |
| C7 | C6 | C5 | H1 | 74.8° | 81.6° |
| C6 | C7 | C4 | H | 142.4° | 117.5° |
| C6 | C7 | O3 | H16 | 180.0° | 65.2° |
| C7 | C6 | O2 | H14 | 69.8° | 67.3° |
| C4 | C7 | O3 | H15 | 123.8° | 122.6° |
| C4 | C7 | C6 | H13 | 77.9° | 97.3° |
| C7 | C4 | C3 | H12 | 59.4° | 66.0° |
| C7 | C4 | C3 | H11 | 59.5° | 53.9° |
| C4 | C7 | O3 | H16 | 67.5° | 180.0° |
| O3 | C7 | C6 | H13 | 164.4° | 144.0° |
| O3 | C7 | C4 | H | 24.8° | 1.3° |
| C5 | N2 | C8 | C12 | 177.6° | 179.9° |
| C5 | N2 | C8 | N3 | 175.6° | 179.9° |
| C5 | N2 | C12 | N6 | 5.5° | 0.0° |
| C5 | N2 | C12 | C9 | 175.9° | 179.9° |
| C5 | N2 | C8 | C13 | 8.2° | 0.2° |
| N2 | C5 | C6 | H13 | 47.4° | 37.4° |
| N2 | C8 | N3 | C13 | 176.2° | 179.7° |
| N2 | C8 | N3 | C9 | 1.3° | 0.0° |
| C8 | N2 | C12 | N6 | 176.8° | 180.0° |
| C8 | N2 | C12 | C9 | 1.8° | 0.0° |
| N2 | C8 | C13 | C14 | 178.7° | 61.6° |
| C8 | N2 | C5 | H1 | 178.4° | 169.6° |
| C8 | N3 | C9 | C10 | 178.5° | 179.9° |
| N3 | C8 | N2 | C12 | 2.0° | 0.0° |
| C8 | N3 | C9 | C12 | 0.1° | 0.0° |
| N3 | C8 | C13 | C14 | 2.8° | 118.7° |
| N3 | C9 | C10 | C12 | 178.6° | 180.0° |
| N3 | C9 | C10 | N4 | 6.6° | 0.0° |
| N3 | C9 | C10 | N5 | 176.7° | 180.0° |
| N3 | C9 | C12 | N6 | 177.5° | 180.0° |
| N3 | C9 | C12 | N2 | 1.1° | 0.0° |
| C9 | N3 | C8 | C13 | 174.9° | 179.7° |
| C9 | C10 | N4 | N5 | 176.7° | 180.0° |
| C9 | C10 | N5 | C11 | 1.2° | 0.0° |
| C10 | C9 | C12 | N6 | 1.3° | 0.1° |
| C10 | C9 | C12 | N2 | 179.9° | 180.0° |
| C9 | C10 | N4 | H17 | 176.7° | 0.0° |
| C9 | C10 | N4 | H18 | 63.3° | 180.0° |
| N4 | C10 | N5 | C11 | 175.7° | 179.9° |
| N4 | C10 | C9 | C12 | 174.9° | 180.0° |
| C10 | N4 | H17 | H18 | 120.0° | 180.0° |
| C10 | N5 | C11 | N6 | 0.2° | 0.1° |
| N5 | C10 | C9 | C12 | 1.9° | 0.0° |
| N5 | C10 | N4 | H17 | 0.0° | 180.0° |
| N5 | C10 | N4 | H18 | 120.0° | 0.0° |
| C10 | N5 | C11 | H19 | 179.8° | 180.0° |
| N5 | C11 | N6 | H19 | 180.0° | 179.9° |
| N5 | C11 | N6 | C12 | 0.8° | 0.1° |
| C11 | N6 | C12 | N2 | 178.3° | 180.0° |
| C11 | N6 | C12 | C9 | 0.0° | 0.0° |
| N6 | C12 | N2 | C9 | 178.6° | 180.0° |
| C12 | N6 | C11 | H19 | 179.2° | 180.0° |
| C12 | N2 | C8 | C13 | 174.3° | 179.7° |
| C12 | N2 | C5 | H1 | 1.3° | 10.3° |
| C8 | C13 | C14 | C15 | 177.7° | 162.6° |
| C13 | C14 | C15 | N7 | 77.5° | 18.7° |
| C13 | C14 | C15 | H20 | 43.3° | 101.4° |
| C13 | C14 | C15 | H21 | 161.6° | 138.7° |
| C14 | C15 | N7 | H20 | 120.8° | 120.0° |
| C14 | C15 | N7 | H21 | 120.8° | 120.1° |
| C14 | C15 | N7 | C16 | 163.4° | 67.7° |
| C14 | C15 | N7 | C21 | 73.2° | 168.3° |
| C14 | C15 | H20 | H21 | 117.4° | 120.0° |
| C15 | N7 | C16 | C21 | 126.3° | 124.0° |
| C15 | N7 | C16 | C17 | 76.7° | 160.3° |
| C15 | N7 | C21 | C22 | 85.2° | 72.0° |
| N7 | C15 | H20 | H21 | 117.4° | 119.9° |
| C15 | N7 | C16 | H22 | 43.8° | 79.8° |
| C15 | N7 | C16 | H23 | 162.8° | 40.3° |
| C15 | N7 | C21 | H29 | 154.4° | 47.9° |
| C15 | N7 | C21 | H30 | 35.3° | 167.9° |
| N7 | C16 | C17 | H22 | 120.5° | 120.0° |
| N7 | C16 | C17 | H23 | 120.5° | 120.0° |
| N7 | C16 | C17 | C18 | 149.5° | 176.4° |
| C16 | N7 | C21 | C22 | 153.4° | 164.0° |
| C16 | N7 | C15 | H20 | 42.6° | 52.3° |
| C16 | N7 | C15 | H21 | 75.8° | 172.2° |
| N7 | C16 | H22 | H23 | 118.5° | 120.1° |
| N7 | C16 | C17 | H25 | 29.1° | 56.3° |
| N7 | C16 | C17 | H24 | 90.1° | 63.7° |
| C16 | N7 | C21 | H29 | 33.0° | 76.0° |
| C16 | N7 | C21 | H30 | 86.1° | 44.0° |
| C16 | C17 | C18 | H25 | 120.4° | 120.0° |
| C16 | C17 | C18 | H24 | 120.4° | 119.9° |
| C16 | C17 | C18 | C19 | 73.4° | 180.0° |
| C17 | C16 | N7 | C21 | 156.9° | 75.7° |
| C17 | C16 | H22 | H23 | 118.5° | 120.0° |
| C16 | C17 | H25 | H24 | 118.7° | 120.0° |
| C16 | C17 | C18 | H26 | 166.1° | 60.0° |
| C16 | C17 | C18 | H27 | 47.1° | 60.0° |
| C17 | C18 | C19 | H26 | 120.5° | 120.0° |
| C17 | C18 | C19 | H27 | 120.5° | 120.0° |
| C17 | C18 | C19 | C20 | 15.9° | 74.2° |
| C18 | C17 | C16 | H22 | 90.0° | 56.4° |
| C18 | C17 | C16 | H23 | 29.0° | 63.6° |
| C18 | C17 | H25 | H24 | 118.7° | 120.1° |
| C17 | C18 | H26 | H27 | 118.4° | 120.0° |
| C19 | C18 | C17 | H25 | 47.0° | 60.1° |
| C19 | C18 | C17 | H24 | 166.2° | 60.0° |
| C19 | C18 | H26 | H27 | 118.4° | 120.0° |
| C18 | C19 | C20 | H28 | 101.4° | 166.6° |
| C20 | C19 | C18 | H26 | 136.4° | 165.8° |
| C20 | C19 | C18 | H27 | 104.7° | 45.9° |
| N7 | C21 | C22 | H29 | 120.5° | 120.0° |
| N7 | C21 | C22 | H30 | 120.4° | 120.1° |
| N7 | C21 | C22 | O4 | 61.5° | 65.3° |
| N7 | C21 | C22 | C25 | 180.0° | 176.8° |
| C21 | N7 | C15 | H20 | 166.0° | 71.7° |
| C21 | N7 | C15 | H21 | 47.7° | 48.3° |
| C21 | N7 | C16 | H22 | 82.6° | 44.2° |
| C21 | N7 | C16 | H23 | 36.5° | 164.3° |
| N7 | C21 | H29 | H30 | 118.6° | 120.0° |
| N7 | C21 | C22 | H2 | 57.3° | 55.7° |
| C21 | C22 | O4 | C25 | 127.2° | 119.4° |
| C21 | C22 | O4 | H2 | 118.3° | 121.0° |
| C21 | C22 | O4 | C23 | 167.6° | 146.0° |
| C21 | C22 | C25 | C24 | 160.4° | 121.4° |
| C21 | C22 | C25 | H2 | 122.7° | 121.1° |
| C21 | C22 | C25 | O6 | 78.8° | 119.9° |
| C22 | C21 | H29 | H30 | 118.6° | 120.0° |
| C21 | C22 | C25 | H33 | 44.4° | 2.7° |
| C22 | O4 | C23 | C24 | 25.5° | 40.1° |
| O4 | C22 | C25 | C24 | 38.4° | 2.0° |
| O4 | C22 | C25 | H2 | 115.3° | 119.5° |
| O4 | C22 | C25 | O6 | 159.2° | 120.7° |
| C22 | O4 | C23 | N8 | 148.7° | 158.6° |
| O4 | C22 | C21 | H29 | 59.0° | 174.7° |
| O4 | C22 | C21 | H30 | 178.1° | 54.8° |
| C22 | O4 | C23 | H3 | 91.7° | 78.5° |
| O4 | C22 | C25 | H33 | 77.6° | 116.7° |
| O4 | C23 | C24 | N8 | 120.7° | 118.5° |
| O4 | C23 | C24 | H3 | 118.3° | 118.6° |
| O4 | C23 | C24 | O5 | 121.1° | 155.3° |
| O4 | C23 | C24 | C25 | 0.6° | 37.1° |
| C23 | O4 | C22 | C25 | 40.4° | 26.5° |
| O4 | C23 | N8 | H3 | 119.9° | 123.0° |
| O4 | C23 | N8 | C26 | 60.6° | 25.0° |
| O4 | C23 | N8 | C30 | 124.5° | 155.0° |
| C23 | O4 | C22 | H2 | 74.1° | 93.0° |
| O4 | C23 | C24 | H31 | 116.5° | 81.2° |
| C23 | C24 | O5 | C25 | 114.6° | 112.7° |
| C23 | C24 | O5 | H31 | 121.4° | 123.7° |
| C23 | C24 | C25 | H31 | 116.9° | 118.3° |
| C23 | C24 | C25 | C22 | 22.7° | 20.9° |
| C23 | C24 | C25 | O6 | 142.7° | 97.8° |
| C24 | C23 | N8 | H3 | 120.4° | 123.0° |
| C24 | C23 | N8 | C26 | 59.0° | 89.0° |
| C24 | C23 | N8 | C30 | 115.8° | 90.9° |
| C23 | C24 | O5 | H32 | 180.0° | 179.9° |
| C23 | C24 | C25 | H33 | 93.4° | 139.6° |
| O5 | C24 | C25 | H31 | 124.9° | 123.6° |
| O5 | C24 | C25 | C22 | 95.5° | 139.1° |
| O5 | C24 | C25 | O6 | 24.5° | 20.4° |
| O5 | C24 | C23 | N8 | 118.2° | 86.3° |
| O5 | C24 | C23 | H3 | 2.8° | 36.7° |
| O5 | C24 | C25 | H33 | 148.4° | 102.2° |
| C24 | C25 | C22 | O6 | 120.8° | 118.7° |
| C24 | C25 | C22 | H33 | 115.9° | 118.7° |
| C24 | C25 | O6 | H33 | 123.0° | 122.6° |
| C25 | C24 | C23 | N8 | 121.2° | 155.5° |
| C25 | C24 | O5 | H32 | 65.4° | 67.3° |
| C24 | C25 | C22 | H2 | 76.9° | 117.5° |
| C25 | C24 | C23 | H3 | 117.7° | 81.5° |
| C24 | C25 | O6 | H34 | 180.0° | 61.4° |
| C22 | C25 | O6 | H33 | 122.5° | 122.6° |
| C25 | C22 | C21 | H29 | 59.5° | 56.9° |
| C25 | C22 | C21 | H30 | 59.5° | 63.1° |
| C22 | C25 | C24 | H31 | 139.6° | 97.4° |
| C22 | C25 | O6 | H34 | 65.5° | 176.2° |
| O6 | C25 | C22 | H2 | 43.9° | 1.2° |
| O6 | C25 | C24 | H31 | 100.4° | 143.9° |
| C23 | N8 | C26 | C30 | 175.7° | 180.0° |
| C23 | N8 | C26 | N9 | 174.9° | 180.0° |
| C23 | N8 | C30 | N12 | 5.6° | 0.3° |
| C23 | N8 | C30 | C27 | 175.0° | 179.7° |
| N8 | C23 | C24 | H31 | 4.2° | 37.3° |
| C23 | N8 | C26 | H35 | 5.1° | 0.2° |
| N8 | C26 | N9 | H35 | 180.0° | 179.8° |
| N8 | C26 | N9 | C27 | 0.6° | 0.2° |
| C26 | N8 | C30 | N12 | 178.7° | 179.7° |
| C26 | N8 | C30 | C27 | 0.7° | 0.2° |
| C26 | N8 | C23 | H3 | 179.4° | 148.0° |
| C26 | N9 | C27 | C28 | 179.0° | 179.9° |
| N9 | C26 | N8 | C30 | 0.9° | 0.0° |
| C26 | N9 | C27 | C30 | 0.1° | 0.4° |
| N9 | C27 | C28 | C30 | 179.1° | 179.5° |
| N9 | C27 | C28 | N10 | 0.9° | 0.6° |
| N9 | C27 | C28 | N11 | 178.5° | 179.5° |
| N9 | C27 | C30 | N12 | 179.0° | 179.6° |
| N9 | C27 | C30 | N8 | 0.4° | 0.4° |
| C27 | N9 | C26 | H35 | 179.4° | 180.0° |
| C27 | C28 | N10 | N11 | 179.4° | 179.9° |
| C27 | C28 | N11 | C29 | 0.2° | 0.0° |
| C28 | C27 | C30 | N12 | 0.3° | 0.0° |
| C28 | C27 | C30 | N8 | 179.6° | 180.0° |
| C27 | C28 | N10 | H37 | 179.4° | 0.1° |
| C27 | C28 | N10 | H36 | 59.4° | 180.0° |
| N10 | C28 | N11 | C29 | 179.7° | 180.0° |
| N10 | C28 | C27 | C30 | 180.0° | 179.9° |
| C28 | N10 | H37 | H36 | 120.0° | 179.9° |
| C28 | N11 | C29 | N12 | 0.6° | 0.0° |
| N11 | C28 | C27 | C30 | 0.6° | 0.0° |
| C28 | N11 | C29 | H38 | 179.4° | 179.9° |
| N11 | C28 | N10 | H37 | 0.0° | 180.0° |
| N11 | C28 | N10 | H36 | 120.0° | 0.1° |
| N11 | C29 | N12 | H38 | 180.0° | 179.9° |
| N11 | C29 | N12 | C30 | 0.9° | 0.0° |
| C29 | N12 | C30 | N8 | 178.8° | 180.0° |
| C29 | N12 | C30 | C27 | 0.4° | 0.0° |
| N12 | C30 | N8 | C27 | 179.4° | 179.9° |
| C30 | N12 | C29 | H38 | 179.1° | 180.0° |
| C30 | N8 | C23 | H3 | 4.6° | 32.0° |
| C30 | N8 | C26 | H35 | 179.2° | 179.8° |
| H10 | N1 | C3 | H12 | 34.6° | 117.6° |
| H10 | N1 | C3 | H11 | 153.5° | 122.4° |
| H15 | C7 | C6 | H13 | 39.8° | 21.3° |
| H15 | C7 | C4 | H | 99.9° | 123.9° |
| H15 | C7 | O3 | H16 | 56.3° | 57.4° |
| H8 | C1 | N | H9 | 27.5° | 116.0° |
| H8 | C1 | C | H6 | 59.5° | 179.9° |
| H8 | C1 | C | H4 | 60.5° | 60.0° |
| H8 | C1 | C | H5 | 179.5° | 60.0° |
| H7 | C1 | N | H9 | 146.6° | 124.0° |
| H7 | C1 | C | H6 | 59.5° | 59.9° |
| H7 | C1 | C | H4 | 179.5° | 179.9° |
| H7 | C1 | C | H5 | 60.5° | 60.0° |
| H32 | O5 | C24 | H31 | 58.6° | 56.4° |
| H1 | C5 | C6 | H13 | 168.8° | 160.2° |
| H13 | C6 | O2 | H14 | 55.7° | 56.3° |
| H | C4 | C3 | H12 | 178.4° | 173.0° |
| H | C4 | C3 | H11 | 62.7° | 67.1° |
| H6 | C | H4 | H5 | 120.0° | 120.0° |
| H22 | C16 | C17 | H25 | 149.5° | 63.6° |
| H22 | C16 | C17 | H24 | 30.4° | 176.4° |
| H23 | C16 | C17 | H25 | 91.4° | 176.4° |
| H23 | C16 | C17 | H24 | 149.4° | 56.4° |
| H25 | C17 | C18 | H26 | 73.5° | 180.0° |
| H25 | C17 | C18 | H27 | 167.5° | 60.0° |
| H24 | C17 | C18 | H26 | 45.7° | 59.9° |
| H24 | C17 | C18 | H27 | 73.3° | 180.0° |
| H29 | C21 | C22 | H2 | 177.8° | 64.3° |
| H30 | C21 | C22 | H2 | 63.1° | 175.7° |
| H2 | C22 | C25 | H33 | 167.2° | 123.8° |
| H3 | C23 | C24 | H31 | 125.3° | 160.3° |
| H31 | C24 | C25 | H33 | 23.5° | 21.3° |
| H33 | C25 | O6 | H34 | 57.0° | 61.2° |
