UZ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C1 | N | sing | 1.46Å | 1.47Å | |
| N | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O | doub | 1.22Å | 1.24Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | O1 | sing | 1.44Å | 1.45Å | |
| O1 | C5 | sing | 1.44Å | 1.40Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| O2 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.55Å | 1.52Å | |
| C7 | C4 | sing | 1.54Å | 1.52Å | |
| O3 | C7 | sing | 1.43Å | 1.41Å | |
| N2 | C5 | sing | 1.47Å | 1.44Å | |
| N2 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C9 | sing | 1.35Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| N4 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C11 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C9 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| N6 | C12 | sing | 1.38Å | 1.34Å | |
| 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 | 1.45Å | |
| C16 | N7 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N8 | C18 | sing | 1.47Å | 1.49Å | |
| C19 | N7 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | O4 | sing | 1.44Å | 1.44Å | |
| O4 | C21 | sing | 1.44Å | 1.43Å | |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| O5 | C22 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | sing | 1.55Å | 1.54Å | |
| C23 | C20 | sing | 1.54Å | 1.52Å | |
| O6 | C23 | sing | 1.43Å | 1.42Å | |
| N9 | C21 | sing | 1.46Å | 1.44Å | |
| N9 | C24 | sing | 1.36Å | 1.37Å | Aromatic |
| C24 | N10 | doub | 1.30Å | 1.31Å | Aromatic |
| N10 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 1.38Å | Aromatic |
| C26 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| N11 | C26 | sing | 1.33Å | 1.34Å | Aromatic |
| C27 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
| N12 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C28 | N12 | doub | 1.33Å | 1.35Å | Aromatic |
| C25 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| N13 | C28 | sing | 1.38Å | 1.34Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| O5 | H35 | sing | 0.97Å | 0.95Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| O3 | H21 | sing | 0.97Å | 0.95Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.08Å | 1.08Å | |
| C27 | H38 | sing | 1.08Å | 1.08Å | |
| N13 | H40 | sing | 0.97Å | 1.00Å | |
| N13 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| N8 | H6 | sing | 1.01Å | 1.00Å | |
| N8 | H4 | sing | 1.01Å | 1.00Å | |
| O2 | H20 | sing | 0.97Å | 0.95Å | |
| O6 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 112.4° | 109.5° |
| C | C1 | H14 | 108.7° | 109.5° |
| C | C1 | H15 | 108.7° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H13 | 109.4° | 109.5° |
| C1 | N | C2 | 122.5° | 120.0° |
| N | C1 | H14 | 108.7° | 109.4° |
| N | C1 | H15 | 108.7° | 109.5° |
| C1 | N | H16 | 118.8° | 120.0° |
| N | C2 | O | 123.3° | 120.0° |
| N | C2 | N1 | 114.3° | 120.1° |
| C2 | N | H16 | 118.7° | 120.0° |
| O | C2 | N1 | 122.5° | 119.9° |
| C2 | N1 | C3 | 123.2° | 120.0° |
| C2 | N1 | H17 | 118.4° | 119.9° |
| N1 | C3 | C4 | 112.6° | 109.4° |
| C3 | N1 | H17 | 118.4° | 120.1° |
| N1 | C3 | H19 | 108.7° | 109.5° |
| N1 | C3 | H18 | 108.7° | 109.5° |
| C3 | C4 | O1 | 108.7° | 109.9° |
| C3 | C4 | C7 | 112.4° | 109.9° |
| C3 | C4 | H | 109.7° | 109.9° |
| C4 | C3 | H19 | 108.7° | 109.5° |
| C4 | C3 | H18 | 108.7° | 109.5° |
| C4 | O1 | C5 | 108.0° | 106.9° |
| O1 | C4 | C7 | 106.0° | 107.3° |
| O1 | C4 | H | 110.5° | 110.0° |
| O1 | C5 | C6 | 105.7° | 103.5° |
| O1 | C5 | N2 | 108.1° | 110.6° |
| O1 | C5 | H1 | 109.3° | 110.6° |
| C5 | C6 | O2 | 109.6° | 110.9° |
| C5 | C6 | C7 | 98.2° | 102.1° |
| C6 | C5 | N2 | 117.3° | 110.6° |
| C6 | C5 | H1 | 107.6° | 110.8° |
| C5 | C6 | H2 | 111.1° | 110.9° |
| O2 | C6 | C7 | 112.9° | 110.9° |
| O2 | C6 | H2 | 112.9° | 110.8° |
| C6 | O2 | H20 | 109.5° | 113.9° |
| C6 | C7 | C4 | 101.5° | 104.2° |
| C6 | C7 | O3 | 110.4° | 110.7° |
| C6 | C7 | H3 | 110.6° | 110.5° |
| C7 | C6 | H2 | 111.2° | 110.9° |
| C4 | C7 | O3 | 110.8° | 110.5° |
| C4 | C7 | H3 | 110.7° | 110.4° |
| C7 | C4 | H | 109.5° | 109.9° |
| O3 | C7 | H3 | 112.4° | 110.4° |
| C7 | O3 | H21 | 109.5° | 114.0° |
| C5 | N2 | C8 | 130.5° | 126.3° |
| C5 | N2 | C10 | 123.7° | 126.4° |
| N2 | C5 | H1 | 108.7° | 110.5° |
| N2 | C8 | N3 | 113.8° | 109.6° |
| C8 | N2 | C10 | 105.8° | 107.3° |
| N2 | C8 | C13 | 121.8° | 125.2° |
| C8 | N3 | C9 | 103.2° | 109.5° |
| N3 | C8 | C13 | 124.4° | 125.2° |
| N3 | C9 | C10 | 111.4° | 107.4° |
| N3 | C9 | C12 | 131.8° | 134.5° |
| C9 | C10 | N2 | 105.9° | 106.3° |
| C9 | C10 | N4 | 127.0° | 119.1° |
| C10 | C9 | C12 | 116.8° | 118.1° |
| N2 | C10 | N4 | 127.1° | 134.7° |
| C10 | N4 | C11 | 110.8° | 120.7° |
| N4 | C11 | N5 | 128.8° | 122.5° |
| N4 | C11 | H22 | 115.6° | 118.7° |
| C11 | N5 | C12 | 119.0° | 121.3° |
| N5 | C11 | H22 | 115.6° | 118.8° |
| N5 | C12 | C9 | 117.5° | 118.4° |
| N5 | C12 | N6 | 118.3° | 120.8° |
| C9 | C12 | N6 | 124.1° | 120.8° |
| C12 | N6 | H24 | 109.5° | 120.0° |
| C12 | N6 | H23 | 109.5° | 120.0° |
| C8 | C13 | C14 | 174.6° | 180.0° |
| C13 | C14 | C15 | 174.7° | 179.9° |
| C14 | C15 | N7 | 114.2° | 109.4° |
| C14 | C15 | H25 | 108.3° | 109.5° |
| C14 | C15 | H26 | 108.3° | 109.5° |
| C15 | N7 | C16 | 110.6° | 111.1° |
| C15 | N7 | C19 | 115.8° | 111.0° |
| N7 | C15 | H25 | 108.3° | 109.5° |
| N7 | C15 | H26 | 108.3° | 109.5° |
| N7 | C16 | C17 | 112.1° | 109.5° |
| C16 | N7 | C19 | 108.1° | 111.0° |
| N7 | C16 | H27 | 108.8° | 109.4° |
| N7 | C16 | H28 | 108.8° | 109.5° |
| C16 | C17 | C18 | 111.9° | 109.5° |
| C17 | C16 | H27 | 108.8° | 109.5° |
| C17 | C16 | H28 | 108.8° | 109.5° |
| C16 | C17 | H30 | 108.9° | 109.4° |
| C16 | C17 | H29 | 108.9° | 109.4° |
| C17 | C18 | N8 | 110.9° | 109.5° |
| C18 | C17 | H30 | 108.8° | 109.5° |
| C18 | C17 | H29 | 108.9° | 109.5° |
| C17 | C18 | H31 | 109.1° | 109.5° |
| C17 | C18 | H32 | 109.1° | 109.5° |
| N8 | C18 | H31 | 109.1° | 109.5° |
| N8 | C18 | H32 | 109.1° | 109.5° |
| C18 | N8 | H6 | 109.5° | 111.0° |
| C18 | N8 | H4 | 109.4° | 111.0° |
| N7 | C19 | C20 | 110.8° | 109.5° |
| N7 | C19 | H33 | 109.1° | 109.4° |
| N7 | C19 | H34 | 109.1° | 109.4° |
| C19 | C20 | O4 | 109.0° | 109.9° |
| C19 | C20 | C23 | 112.5° | 109.9° |
| C20 | C19 | H33 | 109.1° | 109.5° |
| C20 | C19 | H34 | 109.1° | 109.5° |
| C19 | C20 | H7 | 110.3° | 109.9° |
| C20 | O4 | C21 | 106.4° | 107.0° |
| O4 | C20 | C23 | 103.2° | 107.3° |
| O4 | C20 | H7 | 111.5° | 109.8° |
| O4 | C21 | C22 | 108.0° | 103.5° |
| O4 | C21 | N9 | 108.6° | 110.6° |
| O4 | C21 | H8 | 109.6° | 110.6° |
| C21 | C22 | O5 | 108.8° | 110.9° |
| C21 | C22 | C23 | 103.1° | 102.1° |
| C22 | C21 | N9 | 113.0° | 110.6° |
| C22 | C21 | H8 | 108.3° | 110.6° |
| C21 | C22 | H9 | 109.9° | 110.9° |
| O5 | C22 | C23 | 113.5° | 111.0° |
| C22 | O5 | H35 | 109.5° | 114.0° |
| O5 | C22 | H9 | 111.4° | 110.7° |
| C22 | C23 | C20 | 102.3° | 104.2° |
| C22 | C23 | O6 | 111.8° | 110.5° |
| C23 | C22 | H9 | 109.7° | 111.0° |
| C22 | C23 | H10 | 109.4° | 110.5° |
| C20 | C23 | O6 | 112.2° | 110.5° |
| C23 | C20 | H7 | 110.2° | 110.0° |
| C20 | C23 | H10 | 109.7° | 110.5° |
| O6 | C23 | H10 | 111.1° | 110.5° |
| C23 | O6 | H36 | 109.5° | 114.0° |
| C21 | N9 | C24 | 128.2° | 126.3° |
| C21 | N9 | C26 | 125.7° | 126.3° |
| N9 | C21 | H8 | 109.3° | 110.7° |
| N9 | C24 | N10 | 113.9° | 110.0° |
| C24 | N9 | C26 | 105.9° | 107.4° |
| N9 | C24 | H37 | 123.1° | 125.0° |
| C24 | N10 | C25 | 103.7° | 109.4° |
| N10 | C24 | H37 | 123.1° | 125.0° |
| N10 | C25 | C26 | 110.8° | 107.1° |
| N10 | C25 | C28 | 132.5° | 134.7° |
| C25 | C26 | N9 | 105.7° | 106.0° |
| C25 | C26 | N11 | 126.9° | 119.1° |
| C26 | C25 | C28 | 116.7° | 118.2° |
| N9 | C26 | N11 | 127.4° | 134.9° |
| C26 | N11 | C27 | 111.0° | 120.7° |
| N11 | C27 | N12 | 128.9° | 122.4° |
| N11 | C27 | H38 | 115.6° | 118.8° |
| C27 | N12 | C28 | 118.6° | 121.2° |
| N12 | C27 | H38 | 115.5° | 118.7° |
| N12 | C28 | C25 | 117.9° | 118.5° |
| N12 | C28 | N13 | 118.5° | 120.8° |
| C25 | C28 | N13 | 123.6° | 120.8° |
| C28 | N13 | H40 | 109.5° | 120.0° |
| C28 | N13 | H39 | 109.4° | 120.0° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H19 | C3 | H18 | 109.5° | 109.5° |
| H12 | C | H11 | 109.4° | 109.4° |
| H12 | C | H13 | 109.5° | 109.5° |
| H11 | C | H13 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.4° |
| H30 | C17 | H29 | 109.5° | 109.4° |
| H31 | C18 | H32 | 109.5° | 109.4° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H40 | N13 | H39 | 109.5° | 120.0° |
| H24 | N6 | H23 | 109.5° | 120.0° |
| H6 | N8 | H4 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H14 | 120.4° | 120.0° |
| C | C1 | N | H15 | 120.5° | 120.0° |
| C | C1 | N | C2 | 68.4° | 176.1° |
| C | C1 | H14 | H15 | 118.7° | 120.0° |
| C | C1 | N | H16 | 111.6° | 4.0° |
| C1 | C | H12 | H11 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 120.1° |
| C1 | N | C2 | H16 | 180.0° | 179.9° |
| C1 | N | C2 | O | 5.1° | 4.7° |
| C1 | N | C2 | N1 | 175.8° | 175.2° |
| N | C1 | H14 | H15 | 118.7° | 120.0° |
| N | C1 | C | H12 | 180.0° | 60.0° |
| N | C1 | C | H11 | 60.0° | 180.0° |
| N | C1 | C | H13 | 60.0° | 60.0° |
| N | C2 | O | N1 | 179.0° | 179.9° |
| N | C2 | N1 | C3 | 173.6° | 175.0° |
| N | C2 | N1 | H17 | 6.4° | 4.8° |
| C2 | N | C1 | H14 | 171.2° | 63.9° |
| C2 | N | C1 | H15 | 52.1° | 56.1° |
| O | C2 | N1 | C3 | 5.5° | 4.9° |
| O | C2 | N1 | H17 | 174.6° | 175.3° |
| O | C2 | N | H16 | 174.9° | 175.2° |
| C2 | N1 | C3 | H17 | 180.0° | 179.8° |
| C2 | N1 | C3 | C4 | 87.3° | 177.7° |
| C2 | N1 | C3 | H19 | 152.2° | 62.3° |
| C2 | N1 | C3 | H18 | 33.2° | 57.7° |
| N1 | C2 | N | H16 | 4.2° | 4.9° |
| N1 | C3 | C4 | H19 | 120.5° | 120.0° |
| N1 | C3 | C4 | H18 | 120.5° | 120.0° |
| N1 | C3 | C4 | O1 | 64.1° | 68.2° |
| N1 | C3 | C4 | C7 | 178.9° | 174.0° |
| N1 | C3 | C4 | H | 56.8° | 53.0° |
| N1 | C3 | H19 | H18 | 118.6° | 120.1° |
| C3 | C4 | O1 | C7 | 121.0° | 119.4° |
| C3 | C4 | O1 | H | 120.4° | 121.1° |
| C3 | C4 | O1 | C5 | 118.9° | 145.9° |
| C3 | C4 | C7 | C6 | 89.6° | 121.4° |
| C3 | C4 | C7 | H | 122.2° | 121.0° |
| C3 | C4 | C7 | O3 | 153.2° | 119.7° |
| C4 | C3 | N1 | H17 | 92.7° | 2.5° |
| C3 | C4 | C7 | H3 | 27.9° | 2.8° |
| C4 | C3 | H19 | H18 | 118.6° | 120.0° |
| C4 | O1 | C5 | C6 | 25.8° | 40.1° |
| O1 | C4 | C7 | C6 | 29.0° | 2.0° |
| O1 | C4 | C7 | H | 119.2° | 119.6° |
| O1 | C4 | C7 | O3 | 88.2° | 120.9° |
| C4 | O1 | C5 | N2 | 152.2° | 158.6° |
| O1 | C4 | C7 | H3 | 146.5° | 116.6° |
| C4 | O1 | C5 | H1 | 89.7° | 78.6° |
| O1 | C4 | C3 | H19 | 56.3° | 51.8° |
| O1 | C4 | C3 | H18 | 175.4° | 171.8° |
| O1 | C5 | C6 | N2 | 120.5° | 118.5° |
| O1 | C5 | C6 | H1 | 116.6° | 118.6° |
| O1 | C5 | C6 | O2 | 160.7° | 155.2° |
| O1 | C5 | C6 | C7 | 42.7° | 37.1° |
| C5 | O1 | C4 | C7 | 2.2° | 26.5° |
| O1 | C5 | N2 | H1 | 118.5° | 122.8° |
| O1 | C5 | N2 | C8 | 63.3° | 46.7° |
| O1 | C5 | N2 | C10 | 118.8° | 133.3° |
| O1 | C5 | C6 | H2 | 73.9° | 81.2° |
| C5 | O1 | C4 | H | 120.7° | 93.0° |
| C5 | C6 | O2 | C7 | 108.4° | 112.7° |
| C5 | C6 | O2 | H2 | 124.4° | 123.6° |
| C5 | C6 | C7 | H2 | 116.5° | 118.2° |
| C5 | C6 | C7 | C4 | 41.9° | 20.9° |
| C5 | C6 | C7 | O3 | 75.7° | 97.8° |
| C6 | C5 | N2 | H1 | 122.3° | 123.1° |
| C6 | C5 | N2 | C8 | 55.9° | 67.4° |
| C6 | C5 | N2 | C10 | 121.9° | 112.7° |
| C5 | C6 | C7 | H3 | 159.4° | 139.5° |
| C5 | C6 | O2 | H20 | 180.0° | 180.0° |
| O2 | C6 | C7 | H2 | 128.1° | 123.6° |
| O2 | C6 | C7 | C4 | 157.4° | 139.1° |
| O2 | C6 | C7 | O3 | 39.8° | 20.3° |
| O2 | C6 | C5 | N2 | 78.8° | 86.3° |
| O2 | C6 | C7 | H3 | 85.2° | 102.3° |
| O2 | C6 | C5 | H1 | 44.1° | 36.6° |
| C6 | C7 | C4 | O3 | 117.2° | 118.9° |
| C6 | C7 | C4 | H3 | 117.5° | 118.6° |
| C6 | C7 | O3 | H3 | 124.0° | 122.7° |
| C7 | C6 | C5 | N2 | 163.2° | 155.6° |
| C7 | C6 | C5 | H1 | 73.9° | 81.5° |
| C6 | C7 | C4 | H | 148.2° | 117.6° |
| C6 | C7 | O3 | H21 | 180.0° | 65.1° |
| C7 | C6 | O2 | H20 | 71.5° | 67.3° |
| C4 | C7 | O3 | H3 | 124.4° | 122.5° |
| C4 | C7 | C6 | H2 | 74.6° | 97.3° |
| C7 | C4 | C3 | H19 | 60.7° | 66.0° |
| C7 | C4 | C3 | H18 | 58.4° | 54.0° |
| C4 | C7 | O3 | H21 | 68.4° | 180.0° |
| O3 | C7 | C6 | H2 | 167.9° | 143.9° |
| O3 | C7 | C4 | H | 31.0° | 1.3° |
| C5 | N2 | C8 | C10 | 178.1° | 179.9° |
| C5 | N2 | C8 | N3 | 176.6° | 180.0° |
| C5 | N2 | C10 | C9 | 177.3° | 180.0° |
| C5 | N2 | C10 | N4 | 3.5° | 0.1° |
| C5 | N2 | C8 | C13 | 6.0° | 0.2° |
| N2 | C5 | C6 | H2 | 46.6° | 37.3° |
| N2 | C8 | N3 | C13 | 177.4° | 179.8° |
| N2 | C8 | N3 | C9 | 1.4° | 0.0° |
| C8 | N2 | C10 | C9 | 1.0° | 0.0° |
| C8 | N2 | C10 | N4 | 178.2° | 180.0° |
| N2 | C8 | C13 | C14 | 156.0° | 75.9° |
| C8 | N2 | C5 | H1 | 178.2° | 169.5° |
| C8 | N3 | C9 | C10 | 0.7° | 0.0° |
| N3 | C8 | N2 | C10 | 1.6° | 0.1° |
| C8 | N3 | C9 | C12 | 177.5° | 180.0° |
| N3 | C8 | C13 | C14 | 21.2° | 103.9° |
| N3 | C9 | C10 | C12 | 178.5° | 180.0° |
| N3 | C9 | C10 | N2 | 0.2° | 0.0° |
| N3 | C9 | C10 | N4 | 179.0° | 180.0° |
| N3 | C9 | C12 | N5 | 178.4° | 180.0° |
| N3 | C9 | C12 | N6 | 3.9° | 0.0° |
| C9 | N3 | C8 | C13 | 176.0° | 179.8° |
| C9 | C10 | N2 | N4 | 179.2° | 179.9° |
| C9 | C10 | N4 | C11 | 0.1° | 0.1° |
| C10 | C9 | C12 | N5 | 0.2° | 0.0° |
| C10 | C9 | C12 | N6 | 178.0° | 180.0° |
| N2 | C10 | N4 | C11 | 179.0° | 180.0° |
| N2 | C10 | C9 | C12 | 178.8° | 180.0° |
| C10 | N2 | C8 | C13 | 175.9° | 179.7° |
| C10 | N2 | C5 | H1 | 0.4° | 10.4° |
| C10 | N4 | C11 | N5 | 0.6° | 0.1° |
| N4 | C10 | C9 | C12 | 0.5° | 0.0° |
| C10 | N4 | C11 | H22 | 179.4° | 180.0° |
| N4 | C11 | N5 | H22 | 180.0° | 180.0° |
| N4 | C11 | N5 | C12 | 0.8° | 0.0° |
| C11 | N5 | C12 | C9 | 0.3° | 0.0° |
| C11 | N5 | C12 | N6 | 177.6° | 180.0° |
| N5 | C12 | C9 | N6 | 177.8° | 180.0° |
| C12 | N5 | C11 | H22 | 179.2° | 180.0° |
| N5 | C12 | N6 | H24 | 0.0° | 179.9° |
| N5 | C12 | N6 | H23 | 120.0° | 0.0° |
| C9 | C12 | N6 | H24 | 177.7° | 0.0° |
| C9 | C12 | N6 | H23 | 62.2° | 180.0° |
| C12 | N6 | H24 | H23 | 120.0° | 179.9° |
| C8 | C13 | C14 | C15 | 173.9° | 178.8° |
| C13 | C14 | C15 | N7 | 94.6° | 135.0° |
| C13 | C14 | C15 | H25 | 26.1° | 105.1° |
| C13 | C14 | C15 | H26 | 144.7° | 14.9° |
| C14 | C15 | N7 | H25 | 120.7° | 120.0° |
| C14 | C15 | N7 | H26 | 120.7° | 120.1° |
| C14 | C15 | N7 | C16 | 164.6° | 67.7° |
| C14 | C15 | N7 | C19 | 72.1° | 168.3° |
| C14 | C15 | H25 | H26 | 117.9° | 120.0° |
| C15 | N7 | C16 | C19 | 127.6° | 124.0° |
| C15 | N7 | C16 | C17 | 84.6° | 160.3° |
| C15 | N7 | C19 | C20 | 82.4° | 72.0° |
| N7 | C15 | H25 | H26 | 117.9° | 120.0° |
| C15 | N7 | C16 | H27 | 35.8° | 79.6° |
| C15 | N7 | C16 | H28 | 155.0° | 40.3° |
| C15 | N7 | C19 | H33 | 157.4° | 48.0° |
| C15 | N7 | C19 | H34 | 37.8° | 168.0° |
| N7 | C16 | C17 | H27 | 120.4° | 120.0° |
| N7 | C16 | C17 | H28 | 120.4° | 120.0° |
| N7 | C16 | C17 | C18 | 156.1° | 176.4° |
| C16 | N7 | C19 | C20 | 153.0° | 164.0° |
| C16 | N7 | C15 | H25 | 43.9° | 52.3° |
| C16 | N7 | C15 | H26 | 74.7° | 172.3° |
| N7 | C16 | H27 | H28 | 118.8° | 119.9° |
| N7 | C16 | C17 | H30 | 83.5° | 56.3° |
| N7 | C16 | C17 | H29 | 35.7° | 63.6° |
| C16 | N7 | C19 | H33 | 32.8° | 76.0° |
| C16 | N7 | C19 | H34 | 86.8° | 44.0° |
| C16 | C17 | C18 | H30 | 120.4° | 120.0° |
| C16 | C17 | C18 | H29 | 120.4° | 120.0° |
| C16 | C17 | C18 | N8 | 159.6° | 180.0° |
| C17 | C16 | N7 | C19 | 147.8° | 75.7° |
| C17 | C16 | H27 | H28 | 118.8° | 120.0° |
| C16 | C17 | H30 | H29 | 118.9° | 119.9° |
| C16 | C17 | C18 | H31 | 39.4° | 59.9° |
| C16 | C17 | C18 | H32 | 80.2° | 60.0° |
| C17 | C18 | N8 | H31 | 120.2° | 120.1° |
| C17 | C18 | N8 | H32 | 120.2° | 120.0° |
| C18 | C17 | C16 | H27 | 35.7° | 56.4° |
| C18 | C17 | C16 | H28 | 83.5° | 63.6° |
| C18 | C17 | H30 | H29 | 118.9° | 120.0° |
| C17 | C18 | H31 | H32 | 119.4° | 120.0° |
| C17 | C18 | N8 | H6 | 180.0° | 180.0° |
| C17 | C18 | N8 | H4 | 60.0° | 56.0° |
| N8 | C18 | C17 | H30 | 80.1° | 60.0° |
| N8 | C18 | C17 | H29 | 39.2° | 60.0° |
| N8 | C18 | H31 | H32 | 119.4° | 120.0° |
| C18 | N8 | H6 | H4 | 120.0° | 124.0° |
| N7 | C19 | C20 | H33 | 120.2° | 120.0° |
| N7 | C19 | C20 | H34 | 120.2° | 119.9° |
| N7 | C19 | C20 | O4 | 65.0° | 65.5° |
| N7 | C19 | C20 | C23 | 178.9° | 176.7° |
| C19 | N7 | C15 | H25 | 167.2° | 71.7° |
| C19 | N7 | C15 | H26 | 48.6° | 48.3° |
| C19 | N7 | C16 | H27 | 91.8° | 44.3° |
| C19 | N7 | C16 | H28 | 27.4° | 164.3° |
| N7 | C19 | H33 | H34 | 119.4° | 120.0° |
| N7 | C19 | C20 | H7 | 57.7° | 55.5° |
| C19 | C20 | O4 | C23 | 119.8° | 119.4° |
| C19 | C20 | O4 | H7 | 122.0° | 121.0° |
| C19 | C20 | O4 | C21 | 160.4° | 145.9° |
| C19 | C20 | C23 | C22 | 156.4° | 121.5° |
| C19 | C20 | C23 | H7 | 123.5° | 121.1° |
| C19 | C20 | C23 | O6 | 83.6° | 119.9° |
| C20 | C19 | H33 | H34 | 119.4° | 120.0° |
| C19 | C20 | C23 | H10 | 40.4° | 2.7° |
| C20 | O4 | C21 | C22 | 25.5° | 40.0° |
| O4 | C20 | C23 | C22 | 39.1° | 2.0° |
| O4 | C20 | C23 | H7 | 119.1° | 119.4° |
| O4 | C20 | C23 | O6 | 159.0° | 120.7° |
| C20 | O4 | C21 | N9 | 148.4° | 158.5° |
| O4 | C20 | C19 | H33 | 55.2° | 174.5° |
| O4 | C20 | C19 | H34 | 174.8° | 54.5° |
| C20 | O4 | C21 | H8 | 92.2° | 78.4° |
| O4 | C20 | C23 | H10 | 77.0° | 116.7° |
| O4 | C21 | C22 | N9 | 120.2° | 118.5° |
| O4 | C21 | C22 | H8 | 118.6° | 118.5° |
| O4 | C21 | C22 | O5 | 121.0° | 155.3° |
| O4 | C21 | C22 | C23 | 0.2° | 37.0° |
| C21 | O4 | C20 | C23 | 40.5° | 26.5° |
| O4 | C21 | N9 | H8 | 119.5° | 123.0° |
| O4 | C21 | N9 | C24 | 63.5° | 25.1° |
| O4 | C21 | N9 | C26 | 121.4° | 155.2° |
| C21 | O4 | C20 | H7 | 77.7° | 93.0° |
| O4 | C21 | C22 | H9 | 116.7° | 81.2° |
| C21 | C22 | O5 | C23 | 114.2° | 112.8° |
| C21 | C22 | O5 | H9 | 121.4° | 123.5° |
| C21 | C22 | C23 | H9 | 117.0° | 118.2° |
| C21 | C22 | C23 | C20 | 23.3° | 20.9° |
| C21 | C22 | C23 | O6 | 143.5° | 97.8° |
| C22 | C21 | N9 | H8 | 120.6° | 122.9° |
| C22 | C21 | N9 | C24 | 56.3° | 89.0° |
| C22 | C21 | N9 | C26 | 118.8° | 90.7° |
| C21 | C22 | O5 | H35 | 180.0° | 180.0° |
| C21 | C22 | C23 | H10 | 93.0° | 139.6° |
| O5 | C22 | C23 | H9 | 125.4° | 123.6° |
| O5 | C22 | C23 | C20 | 94.3° | 139.1° |
| O5 | C22 | C23 | O6 | 25.9° | 20.4° |
| O5 | C22 | C21 | N9 | 118.8° | 86.2° |
| O5 | C22 | C21 | H8 | 2.4° | 36.8° |
| O5 | C22 | C23 | H10 | 149.4° | 102.2° |
| C22 | C23 | C20 | O6 | 119.9° | 118.7° |
| C22 | C23 | C20 | H10 | 116.0° | 118.7° |
| C22 | C23 | O6 | H10 | 122.5° | 122.7° |
| C23 | C22 | C21 | N9 | 120.3° | 155.5° |
| C23 | C22 | O5 | H35 | 65.8° | 67.2° |
| C22 | C23 | C20 | H7 | 80.1° | 117.4° |
| C23 | C22 | C21 | H8 | 118.4° | 81.5° |
| C22 | C23 | O6 | H36 | 180.0° | 61.5° |
| C20 | C23 | O6 | H10 | 123.2° | 122.6° |
| C23 | C20 | C19 | H33 | 58.7° | 56.7° |
| C23 | C20 | C19 | H34 | 60.9° | 63.4° |
| C20 | C23 | C22 | H9 | 140.3° | 97.3° |
| C20 | C23 | O6 | H36 | 65.7° | 176.3° |
| O6 | C23 | C20 | H7 | 39.9° | 1.3° |
| O6 | C23 | C22 | H9 | 99.5° | 144.0° |
| C21 | N9 | C24 | C26 | 175.9° | 179.8° |
| C21 | N9 | C24 | N10 | 176.3° | 179.7° |
| C21 | N9 | C26 | C25 | 176.5° | 180.0° |
| C21 | N9 | C26 | N11 | 1.9° | 0.0° |
| N9 | C21 | C22 | H9 | 3.5° | 37.2° |
| C21 | N9 | C24 | H37 | 3.7° | 0.0° |
| N9 | C24 | N10 | H37 | 180.0° | 179.7° |
| N9 | C24 | N10 | C25 | 0.1° | 0.3° |
| C24 | N9 | C26 | C25 | 0.5° | 0.2° |
| C24 | N9 | C26 | N11 | 178.0° | 179.8° |
| C24 | N9 | C21 | H8 | 177.0° | 148.0° |
| C24 | N10 | C25 | C26 | 0.2° | 0.5° |
| N10 | C24 | N9 | C26 | 0.4° | 0.1° |
| C24 | N10 | C25 | C28 | 177.8° | 179.9° |
| N10 | C25 | C26 | C28 | 178.1° | 179.6° |
| N10 | C25 | C26 | N9 | 0.4° | 0.4° |
| N10 | C25 | C26 | N11 | 178.0° | 179.6° |
| N10 | C25 | C28 | N12 | 177.0° | 179.5° |
| N10 | C25 | C28 | N13 | 1.3° | 0.6° |
| C25 | N10 | C24 | H37 | 179.9° | 180.0° |
| C25 | C26 | N9 | N11 | 178.4° | 180.0° |
| C25 | C26 | N11 | C27 | 0.5° | 0.0° |
| C26 | C25 | C28 | N12 | 0.5° | 0.1° |
| C26 | C25 | C28 | N13 | 178.9° | 180.0° |
| N9 | C26 | N11 | C27 | 177.6° | 180.0° |
| N9 | C26 | C25 | C28 | 178.5° | 180.0° |
| C26 | N9 | C21 | H8 | 1.8° | 32.2° |
| C26 | N9 | C24 | H37 | 179.6° | 179.8° |
| C26 | N11 | C27 | N12 | 0.5° | 0.0° |
| N11 | C26 | C25 | C28 | 0.0° | 0.0° |
| C26 | N11 | C27 | H38 | 179.4° | 179.9° |
| N11 | C27 | N12 | H38 | 180.0° | 180.0° |
| N11 | C27 | N12 | C28 | 0.1° | 0.1° |
| C27 | N12 | C28 | C25 | 0.5° | 0.1° |
| C27 | N12 | C28 | N13 | 178.9° | 180.0° |
| N12 | C28 | C25 | N13 | 178.4° | 179.9° |
| C28 | N12 | C27 | H38 | 179.9° | 179.9° |
| N12 | C28 | N13 | H40 | 0.0° | 179.9° |
| N12 | C28 | N13 | H39 | 120.0° | 0.1° |
| C25 | C28 | N13 | H40 | 178.3° | 0.0° |
| C25 | C28 | N13 | H39 | 61.6° | 180.0° |
| C28 | N13 | H40 | H39 | 120.0° | 180.0° |
| H17 | N1 | C3 | H19 | 27.7° | 117.5° |
| H17 | N1 | C3 | H18 | 146.8° | 122.5° |
| H3 | C7 | C6 | H2 | 42.9° | 21.3° |
| H3 | C7 | C4 | H | 94.3° | 123.8° |
| H3 | C7 | O3 | H21 | 56.0° | 57.5° |
| H14 | C1 | N | H16 | 8.8° | 116.1° |
| H14 | C1 | C | H12 | 59.6° | 60.0° |
| H14 | C1 | C | H11 | 60.4° | 60.0° |
| H14 | C1 | C | H13 | 179.6° | 180.0° |
| H15 | C1 | N | H16 | 128.0° | 124.0° |
| H15 | C1 | C | H12 | 59.5° | 179.9° |
| H15 | C1 | C | H11 | 179.5° | 60.0° |
| H15 | C1 | C | H13 | 60.5° | 60.1° |
| H35 | O5 | C22 | H9 | 58.6° | 56.5° |
| H1 | C5 | C6 | H2 | 169.5° | 160.2° |
| H2 | C6 | O2 | H20 | 55.7° | 56.4° |
| H | C4 | C3 | H19 | 177.2° | 173.0° |
| H | C4 | C3 | H18 | 63.7° | 67.0° |
| H12 | C | H11 | H13 | 120.0° | 120.0° |
| H27 | C16 | C17 | H30 | 156.1° | 63.7° |
| H27 | C16 | C17 | H29 | 84.6° | 176.4° |
| H28 | C16 | C17 | H30 | 36.9° | 176.3° |
| H28 | C16 | C17 | H29 | 156.1° | 56.5° |
| H30 | C17 | C18 | H31 | 159.7° | 180.0° |
| H30 | C17 | C18 | H32 | 40.2° | 60.0° |
| H29 | C17 | C18 | H31 | 81.0° | 60.1° |
| H29 | C17 | C18 | H32 | 159.4° | 180.0° |
| H31 | C18 | N8 | H6 | 59.8° | 59.9° |
| H31 | C18 | N8 | H4 | 179.8° | 176.1° |
| H32 | C18 | N8 | H6 | 59.8° | 60.0° |
| H32 | C18 | N8 | H4 | 60.2° | 64.0° |
| H33 | C19 | C20 | H7 | 177.9° | 64.5° |
| H34 | C19 | C20 | H7 | 62.5° | 175.5° |
| H7 | C20 | C23 | H10 | 163.9° | 123.9° |
| H8 | C21 | C22 | H9 | 124.7° | 160.2° |
| H9 | C22 | C23 | H10 | 24.0° | 21.4° |
| H10 | C23 | O6 | H36 | 57.5° | 61.2° |
