UUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.45Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | O | doub | 1.21Å | 1.23Å | |
| N1 | C3 | sing | 1.35Å | 1.33Å | |
| C4 | N1 | sing | 1.46Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | O1 | sing | 1.44Å | 1.44Å | |
| O1 | C6 | sing | 1.44Å | 1.42Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| O2 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C8 | C5 | sing | 1.54Å | 1.52Å | |
| O3 | C8 | sing | 1.43Å | 1.42Å | |
| N2 | C6 | sing | 1.46Å | 1.46Å | |
| N2 | C9 | sing | 1.37Å | 1.40Å | Aromatic |
| C9 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C10 | sing | 1.35Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| N4 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C10 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| N6 | C13 | sing | 1.38Å | 1.34Å | |
| C14 | C9 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | trip | 1.17Å | 1.20Å | |
| C16 | C15 | sing | 1.47Å | 1.47Å | |
| N7 | C16 | sing | 1.47Å | 1.46Å | |
| C17 | N7 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | trip | 1.17Å | 1.18Å | |
| C22 | N7 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | O4 | sing | 1.44Å | 1.44Å | |
| O4 | C24 | sing | 1.44Å | 1.41Å | |
| C24 | C25 | sing | 1.55Å | 1.54Å | |
| O5 | C25 | sing | 1.43Å | 1.42Å | |
| C25 | C26 | sing | 1.55Å | 1.54Å | |
| C26 | C23 | sing | 1.54Å | 1.52Å | |
| O6 | C26 | sing | 1.43Å | 1.43Å | |
| N8 | C24 | sing | 1.47Å | 1.46Å | |
| N8 | C27 | sing | 1.36Å | 1.37Å | Aromatic |
| C27 | N9 | doub | 1.30Å | 1.31Å | Aromatic |
| N9 | C28 | sing | 1.35Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| N10 | C29 | sing | 1.33Å | 1.34Å | Aromatic |
| C30 | N10 | doub | 1.32Å | 1.33Å | Aromatic |
| N11 | C30 | sing | 1.32Å | 1.34Å | Aromatic |
| C31 | N11 | doub | 1.33Å | 1.35Å | Aromatic |
| C28 | C31 | sing | 1.41Å | 1.41Å | Aromatic |
| N12 | C31 | sing | 1.38Å | 1.34Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O5 | H35 | sing | 0.97Å | 0.95Å | |
| C5 | H | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H20 | sing | 0.97Å | 0.95Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.05Å | 1.06Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| N12 | H40 | sing | 0.97Å | 1.00Å | |
| N12 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| O2 | H19 | 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) |
| N | C | C1 | 110.1° | 109.5° |
| C | N | H8 | 109.5° | 111.0° |
| C | N | H9 | 109.4° | 110.9° |
| N | C | H10 | 109.3° | 109.4° |
| N | C | H11 | 109.3° | 109.5° |
| C | C1 | C2 | 111.6° | 109.5° |
| C | C1 | H13 | 109.0° | 109.5° |
| C | C1 | H12 | 108.9° | 109.5° |
| C1 | C | H10 | 109.3° | 109.5° |
| C1 | C | H11 | 109.3° | 109.5° |
| C1 | C2 | C3 | 112.3° | 109.5° |
| C2 | C1 | H13 | 108.9° | 109.5° |
| C2 | C1 | H12 | 108.9° | 109.4° |
| C1 | C2 | H15 | 108.7° | 109.4° |
| C1 | C2 | H14 | 108.7° | 109.5° |
| C2 | C3 | O | 121.2° | 120.0° |
| C2 | C3 | N1 | 115.8° | 120.0° |
| C3 | C2 | H15 | 108.8° | 109.5° |
| C3 | C2 | H14 | 108.8° | 109.5° |
| O | C3 | N1 | 123.0° | 119.9° |
| C3 | N1 | C4 | 122.8° | 120.0° |
| C3 | N1 | H16 | 118.6° | 119.9° |
| N1 | C4 | C5 | 112.5° | 109.5° |
| C4 | N1 | H16 | 118.6° | 120.0° |
| N1 | C4 | H18 | 108.7° | 109.5° |
| N1 | C4 | H17 | 108.7° | 109.5° |
| C4 | C5 | O1 | 106.2° | 109.9° |
| C4 | C5 | C8 | 117.0° | 109.9° |
| C4 | C5 | H | 109.1° | 109.9° |
| C5 | C4 | H18 | 108.7° | 109.4° |
| C5 | C4 | H17 | 108.7° | 109.5° |
| C5 | O1 | C6 | 109.7° | 107.0° |
| O1 | C5 | C8 | 105.3° | 107.3° |
| O1 | C5 | H | 110.1° | 110.0° |
| O1 | C6 | C7 | 107.7° | 103.5° |
| O1 | C6 | N2 | 109.0° | 110.7° |
| O1 | C6 | H1 | 108.3° | 110.6° |
| C6 | C7 | O2 | 110.1° | 110.9° |
| C6 | C7 | C8 | 101.1° | 102.1° |
| C7 | C6 | N2 | 117.1° | 110.6° |
| C6 | C7 | H2 | 110.4° | 110.9° |
| C7 | C6 | H1 | 106.8° | 110.7° |
| O2 | C7 | C8 | 112.3° | 110.9° |
| O2 | C7 | H2 | 112.0° | 110.8° |
| C7 | O2 | H19 | 109.5° | 114.0° |
| C7 | C8 | C5 | 102.0° | 104.2° |
| C7 | C8 | O3 | 111.6° | 110.5° |
| C8 | C7 | H2 | 110.4° | 111.0° |
| C7 | C8 | H3 | 110.3° | 110.5° |
| C5 | C8 | O3 | 110.4° | 110.5° |
| C5 | C8 | H3 | 110.4° | 110.5° |
| C8 | C5 | H | 109.0° | 109.8° |
| O3 | C8 | H3 | 111.9° | 110.5° |
| C8 | O3 | H20 | 109.5° | 114.0° |
| C6 | N2 | C9 | 129.2° | 126.3° |
| C6 | N2 | C11 | 124.9° | 126.4° |
| N2 | C6 | H1 | 107.7° | 110.5° |
| N2 | C9 | N3 | 113.0° | 109.6° |
| C9 | N2 | C11 | 105.8° | 107.3° |
| N2 | C9 | C14 | 123.0° | 125.2° |
| C9 | N3 | C10 | 104.1° | 109.4° |
| N3 | C9 | C14 | 124.0° | 125.2° |
| N3 | C10 | C11 | 111.2° | 107.4° |
| N3 | C10 | C13 | 131.8° | 134.5° |
| C10 | C11 | N2 | 105.8° | 106.2° |
| C10 | C11 | N4 | 126.7° | 119.1° |
| C11 | C10 | C13 | 116.9° | 118.1° |
| N2 | C11 | N4 | 127.5° | 134.7° |
| C11 | N4 | C12 | 111.1° | 120.7° |
| N4 | C12 | N5 | 128.8° | 122.5° |
| N4 | C12 | H21 | 115.6° | 118.8° |
| C12 | N5 | C13 | 118.8° | 121.2° |
| N5 | C12 | H21 | 115.6° | 118.7° |
| N5 | C13 | C10 | 117.6° | 118.5° |
| N5 | C13 | N6 | 118.4° | 120.8° |
| C10 | C13 | N6 | 124.0° | 120.8° |
| C13 | N6 | H23 | 109.5° | 120.0° |
| C13 | N6 | H22 | 109.5° | 120.0° |
| C9 | C14 | C15 | 173.7° | 179.9° |
| C14 | C15 | C16 | 176.9° | 179.9° |
| C15 | C16 | N7 | 115.6° | 109.5° |
| C15 | C16 | H24 | 107.9° | 109.5° |
| C15 | C16 | H25 | 107.9° | 109.5° |
| C16 | N7 | C17 | 110.5° | 111.0° |
| C16 | N7 | C22 | 115.9° | 111.0° |
| N7 | C16 | H24 | 107.9° | 109.5° |
| N7 | C16 | H25 | 107.9° | 109.4° |
| N7 | C17 | C18 | 114.4° | 109.5° |
| C17 | N7 | C22 | 110.5° | 111.0° |
| N7 | C17 | H26 | 108.2° | 109.5° |
| N7 | C17 | H27 | 108.2° | 109.5° |
| C17 | C18 | C19 | 113.4° | 109.5° |
| C18 | C17 | H26 | 108.2° | 109.4° |
| C18 | C17 | H27 | 108.2° | 109.4° |
| C17 | C18 | H28 | 108.5° | 109.5° |
| C17 | C18 | H29 | 108.5° | 109.5° |
| C18 | C19 | C20 | 113.4° | 109.5° |
| C19 | C18 | H28 | 108.5° | 109.5° |
| C19 | C18 | H29 | 108.5° | 109.5° |
| C18 | C19 | H30 | 108.5° | 109.5° |
| C18 | C19 | H31 | 108.5° | 109.5° |
| C19 | C20 | C21 | 177.8° | 180.0° |
| C20 | C19 | H30 | 108.5° | 109.4° |
| C20 | C19 | H31 | 108.5° | 109.5° |
| C20 | C21 | H32 | 180.0° | 179.9° |
| N7 | C22 | C23 | 113.1° | 109.5° |
| N7 | C22 | H34 | 108.5° | 109.5° |
| N7 | C22 | H33 | 108.6° | 109.5° |
| C22 | C23 | O4 | 110.2° | 109.9° |
| C22 | C23 | C26 | 114.8° | 109.9° |
| C23 | C22 | H34 | 108.6° | 109.5° |
| C23 | C22 | H33 | 108.6° | 109.5° |
| C22 | C23 | H4 | 109.1° | 109.8° |
| C23 | O4 | C24 | 106.4° | 107.0° |
| O4 | C23 | C26 | 103.4° | 107.3° |
| O4 | C23 | H4 | 110.2° | 109.9° |
| O4 | C24 | C25 | 107.4° | 103.5° |
| O4 | C24 | N8 | 109.2° | 110.6° |
| O4 | C24 | H5 | 109.5° | 110.6° |
| C24 | C25 | O5 | 109.4° | 110.9° |
| C24 | C25 | C26 | 103.4° | 102.1° |
| C25 | C24 | N8 | 114.1° | 110.6° |
| C25 | C24 | H5 | 107.8° | 110.7° |
| C24 | C25 | H6 | 110.1° | 110.9° |
| O5 | C25 | C26 | 111.7° | 110.9° |
| C25 | O5 | H35 | 109.5° | 114.0° |
| O5 | C25 | H6 | 111.8° | 110.8° |
| C25 | C26 | C23 | 102.5° | 104.1° |
| C25 | C26 | O6 | 111.8° | 110.5° |
| C26 | C25 | H6 | 110.1° | 111.0° |
| C25 | C26 | H7 | 109.6° | 110.5° |
| C23 | C26 | O6 | 111.6° | 110.5° |
| C26 | C23 | H4 | 109.0° | 110.0° |
| C23 | C26 | H7 | 109.8° | 110.5° |
| O6 | C26 | H7 | 111.2° | 110.6° |
| C26 | O6 | H36 | 109.5° | 114.0° |
| C24 | N8 | C27 | 127.8° | 126.3° |
| C24 | N8 | C29 | 126.3° | 126.3° |
| N8 | C24 | H5 | 108.8° | 110.7° |
| N8 | C27 | N9 | 114.1° | 110.0° |
| C27 | N8 | C29 | 105.7° | 107.4° |
| N8 | C27 | H37 | 123.0° | 125.0° |
| C27 | N9 | C28 | 103.7° | 109.5° |
| N9 | C27 | H37 | 123.0° | 125.0° |
| N9 | C28 | C29 | 110.8° | 107.1° |
| N9 | C28 | C31 | 132.5° | 134.7° |
| C28 | C29 | N8 | 105.7° | 106.0° |
| C28 | C29 | N10 | 126.9° | 119.1° |
| C29 | C28 | C31 | 116.7° | 118.2° |
| N8 | C29 | N10 | 127.4° | 134.9° |
| C29 | N10 | C30 | 111.1° | 120.6° |
| N10 | C30 | N11 | 128.8° | 122.5° |
| N10 | C30 | H38 | 115.6° | 118.8° |
| C30 | N11 | C31 | 118.8° | 121.2° |
| N11 | C30 | H38 | 115.6° | 118.7° |
| N11 | C31 | C28 | 117.6° | 118.5° |
| N11 | C31 | N12 | 118.4° | 120.8° |
| C28 | C31 | N12 | 123.9° | 120.8° |
| C31 | N12 | H40 | 109.5° | 120.0° |
| C31 | N12 | H39 | 109.5° | 120.0° |
| H13 | C1 | H12 | 109.5° | 109.4° |
| H18 | C4 | H17 | 109.5° | 109.5° |
| H15 | C2 | H14 | 109.5° | 109.4° |
| H8 | N | H9 | 109.5° | 111.0° |
| H10 | C | H11 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.4° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H34 | C22 | H33 | 109.4° | 109.5° |
| H40 | N12 | H39 | 109.5° | 120.0° |
| H23 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | H10 | 120.1° | 119.9° |
| N | C | C1 | H11 | 120.1° | 120.0° |
| N | C | C1 | C2 | 152.1° | 180.0° |
| N | C | C1 | H13 | 31.8° | 60.0° |
| N | C | C1 | H12 | 87.6° | 60.0° |
| C | N | H8 | H9 | 120.0° | 123.9° |
| N | C | H10 | H11 | 119.7° | 120.0° |
| C | C1 | C2 | H13 | 120.3° | 120.0° |
| C | C1 | C2 | H12 | 120.3° | 120.0° |
| C | C1 | C2 | C3 | 122.9° | 180.0° |
| C | C1 | H13 | H12 | 119.1° | 120.0° |
| C | C1 | C2 | H15 | 2.5° | 60.0° |
| C | C1 | C2 | H14 | 116.6° | 60.0° |
| C1 | C | N | H8 | 180.0° | 56.1° |
| C1 | C | N | H9 | 60.0° | 180.0° |
| C1 | C | H10 | H11 | 119.7° | 120.1° |
| C1 | C2 | C3 | H15 | 120.4° | 120.0° |
| C1 | C2 | C3 | H14 | 120.4° | 120.0° |
| C1 | C2 | C3 | O | 56.1° | 0.0° |
| C1 | C2 | C3 | N1 | 123.2° | 180.0° |
| C2 | C1 | H13 | H12 | 119.0° | 120.0° |
| C1 | C2 | H15 | H14 | 118.7° | 119.9° |
| C2 | C1 | C | H10 | 87.8° | 60.1° |
| C2 | C1 | C | H11 | 32.0° | 60.0° |
| C2 | C3 | O | N1 | 179.2° | 180.0° |
| C2 | C3 | N1 | C4 | 174.7° | 179.7° |
| C2 | C3 | N1 | H16 | 5.3° | 0.0° |
| C3 | C2 | C1 | H13 | 116.7° | 60.0° |
| C3 | C2 | C1 | H12 | 2.6° | 60.0° |
| C3 | C2 | H15 | H14 | 118.7° | 120.0° |
| O | C3 | N1 | C4 | 4.5° | 0.2° |
| O | C3 | N1 | H16 | 175.5° | 180.0° |
| O | C3 | C2 | H15 | 64.3° | 120.0° |
| O | C3 | C2 | H14 | 176.5° | 120.0° |
| C3 | N1 | C4 | H16 | 180.0° | 179.7° |
| C3 | N1 | C4 | C5 | 58.2° | 180.0° |
| C3 | N1 | C4 | H18 | 62.3° | 60.0° |
| C3 | N1 | C4 | H17 | 178.6° | 60.0° |
| N1 | C3 | C2 | H15 | 116.4° | 60.0° |
| N1 | C3 | C2 | H14 | 2.7° | 60.0° |
| N1 | C4 | C5 | H18 | 120.4° | 120.0° |
| N1 | C4 | C5 | H17 | 120.4° | 120.0° |
| N1 | C4 | C5 | O1 | 167.0° | 67.2° |
| N1 | C4 | C5 | C8 | 75.9° | 175.0° |
| N1 | C4 | C5 | H | 48.3° | 54.0° |
| N1 | C4 | H18 | H17 | 118.6° | 120.0° |
| C4 | C5 | O1 | C8 | 124.7° | 119.5° |
| C4 | C5 | O1 | H | 118.0° | 121.1° |
| C4 | C5 | O1 | C6 | 106.7° | 145.9° |
| C4 | C5 | C8 | C7 | 83.4° | 121.5° |
| C4 | C5 | C8 | H | 124.3° | 121.0° |
| C4 | C5 | C8 | O3 | 158.0° | 119.8° |
| C5 | C4 | N1 | H16 | 121.9° | 0.3° |
| C4 | C5 | C8 | H3 | 33.8° | 2.8° |
| C5 | C4 | H18 | H17 | 118.6° | 120.0° |
| C5 | O1 | C6 | C7 | 5.9° | 40.0° |
| O1 | C5 | C8 | C7 | 34.2° | 2.0° |
| O1 | C5 | C8 | H | 118.1° | 119.5° |
| O1 | C5 | C8 | O3 | 84.4° | 120.7° |
| C5 | O1 | C6 | N2 | 133.8° | 158.6° |
| O1 | C5 | C8 | H3 | 151.4° | 116.7° |
| C5 | O1 | C6 | H1 | 109.2° | 78.6° |
| O1 | C5 | C4 | H18 | 46.6° | 52.8° |
| O1 | C5 | C4 | H17 | 72.6° | 172.8° |
| O1 | C6 | C7 | N2 | 123.1° | 118.6° |
| O1 | C6 | C7 | H1 | 116.1° | 118.5° |
| O1 | C6 | C7 | O2 | 145.8° | 155.2° |
| O1 | C6 | C7 | C8 | 26.9° | 37.0° |
| C6 | O1 | C5 | C8 | 18.0° | 26.5° |
| O1 | C6 | N2 | H1 | 117.3° | 122.9° |
| O1 | C6 | N2 | C9 | 80.6° | 43.5° |
| O1 | C6 | N2 | C11 | 102.0° | 136.1° |
| O1 | C6 | C7 | H2 | 89.9° | 81.2° |
| C6 | O1 | C5 | H | 135.3° | 93.0° |
| C6 | C7 | O2 | C8 | 111.9° | 112.7° |
| C6 | C7 | O2 | H2 | 123.2° | 123.6° |
| C6 | C7 | C8 | H2 | 116.8° | 118.2° |
| C6 | C7 | C8 | C5 | 36.2° | 20.9° |
| C6 | C7 | C8 | O3 | 81.6° | 97.8° |
| C7 | C6 | N2 | H1 | 120.3° | 123.0° |
| C7 | C6 | N2 | C9 | 41.8° | 70.6° |
| C7 | C6 | N2 | C11 | 135.6° | 109.7° |
| C6 | C7 | C8 | H3 | 153.4° | 139.6° |
| C6 | C7 | O2 | H19 | 180.0° | 174.2° |
| O2 | C7 | C8 | H2 | 125.8° | 123.6° |
| O2 | C7 | C8 | C5 | 153.6° | 139.1° |
| O2 | C7 | C8 | O3 | 35.8° | 20.4° |
| O2 | C7 | C6 | N2 | 91.1° | 86.2° |
| O2 | C7 | C8 | H3 | 89.2° | 102.2° |
| O2 | C7 | C6 | H1 | 29.7° | 36.7° |
| C7 | C8 | C5 | O3 | 118.7° | 118.7° |
| C7 | C8 | C5 | H3 | 117.2° | 118.7° |
| C7 | C8 | O3 | H3 | 124.1° | 122.6° |
| C8 | C7 | C6 | N2 | 150.0° | 155.6° |
| C7 | C8 | C5 | H | 152.4° | 117.6° |
| C8 | C7 | C6 | H1 | 89.2° | 81.5° |
| C7 | C8 | O3 | H20 | 180.0° | 61.4° |
| C8 | C7 | O2 | H19 | 68.1° | 61.5° |
| C5 | C8 | O3 | H3 | 123.3° | 122.6° |
| C5 | C8 | C7 | H2 | 80.6° | 97.3° |
| C8 | C5 | C4 | H18 | 163.7° | 65.0° |
| C8 | C5 | C4 | H17 | 44.5° | 55.0° |
| C5 | C8 | O3 | H20 | 67.3° | 176.2° |
| O3 | C8 | C7 | H2 | 161.6° | 144.0° |
| O3 | C8 | C5 | H | 33.7° | 1.2° |
| C6 | N2 | C9 | C11 | 177.8° | 179.7° |
| C6 | N2 | C9 | N3 | 176.6° | 179.9° |
| C6 | N2 | C11 | C10 | 176.9° | 179.9° |
| C6 | N2 | C11 | N4 | 3.5° | 0.3° |
| C6 | N2 | C9 | C14 | 4.8° | 0.0° |
| N2 | C6 | C7 | H2 | 33.1° | 37.3° |
| N2 | C9 | N3 | C14 | 178.6° | 179.9° |
| N2 | C9 | N3 | C10 | 0.7° | 0.0° |
| C9 | N2 | C11 | C10 | 1.1° | 0.4° |
| C9 | N2 | C11 | N4 | 178.6° | 179.9° |
| N2 | C9 | C14 | C15 | 178.7° | 63.0° |
| C9 | N2 | C6 | H1 | 162.1° | 166.4° |
| C9 | N3 | C10 | C11 | 0.0° | 0.3° |
| N3 | C9 | N2 | C11 | 1.2° | 0.2° |
| C9 | N3 | C10 | C13 | 179.8° | 180.0° |
| N3 | C9 | C14 | C15 | 2.9° | 117.1° |
| N3 | C10 | C11 | C13 | 179.8° | 179.8° |
| N3 | C10 | C11 | N2 | 0.7° | 0.4° |
| N3 | C10 | C11 | N4 | 178.9° | 180.0° |
| N3 | C10 | C13 | N5 | 178.9° | 180.0° |
| N3 | C10 | C13 | N6 | 2.7° | 0.0° |
| C10 | N3 | C9 | C14 | 177.9° | 180.0° |
| C10 | C11 | N2 | N4 | 179.7° | 179.6° |
| C10 | C11 | N4 | C12 | 0.3° | 0.2° |
| C11 | C10 | C13 | N5 | 0.9° | 0.2° |
| C11 | C10 | C13 | N6 | 177.5° | 179.7° |
| N2 | C11 | N4 | C12 | 179.9° | 179.4° |
| N2 | C11 | C10 | C13 | 179.5° | 179.8° |
| C11 | N2 | C9 | C14 | 177.4° | 179.7° |
| C11 | N2 | C6 | H1 | 15.3° | 13.3° |
| C11 | N4 | C12 | N5 | 0.3° | 0.5° |
| N4 | C11 | C10 | C13 | 0.9° | 0.1° |
| C11 | N4 | C12 | H21 | 179.7° | 180.0° |
| N4 | C12 | N5 | H21 | 180.0° | 179.5° |
| N4 | C12 | N5 | C13 | 0.2° | 0.4° |
| C12 | N5 | C13 | C10 | 0.4° | 0.0° |
| C12 | N5 | C13 | N6 | 178.1° | 180.0° |
| N5 | C13 | C10 | N6 | 178.4° | 180.0° |
| C13 | N5 | C12 | H21 | 179.8° | 179.9° |
| N5 | C13 | N6 | H23 | 0.0° | 180.0° |
| N5 | C13 | N6 | H22 | 120.0° | 0.0° |
| C10 | C13 | N6 | H23 | 178.4° | 0.0° |
| C10 | C13 | N6 | H22 | 61.6° | 179.9° |
| C13 | N6 | H23 | H22 | 120.0° | 180.0° |
| C9 | C14 | C15 | C16 | 174.4° | 166.5° |
| C14 | C15 | C16 | N7 | 84.6° | 163.6° |
| C14 | C15 | C16 | H24 | 36.3° | 76.4° |
| C14 | C15 | C16 | H25 | 154.5° | 43.6° |
| C15 | C16 | N7 | H24 | 120.9° | 120.0° |
| C15 | C16 | N7 | H25 | 120.9° | 120.0° |
| C15 | C16 | N7 | C17 | 163.5° | 66.0° |
| C15 | C16 | N7 | C22 | 69.8° | 170.0° |
| C15 | C16 | H24 | H25 | 117.2° | 120.0° |
| C16 | N7 | C17 | C22 | 129.6° | 124.0° |
| C16 | N7 | C17 | C18 | 100.6° | 171.7° |
| C16 | N7 | C22 | C23 | 81.5° | 68.0° |
| N7 | C16 | H24 | H25 | 117.2° | 120.0° |
| C16 | N7 | C17 | H26 | 20.1° | 68.3° |
| C16 | N7 | C17 | H27 | 138.7° | 51.7° |
| C16 | N7 | C22 | H34 | 157.9° | 172.0° |
| C16 | N7 | C22 | H33 | 39.1° | 52.0° |
| N7 | C17 | C18 | H26 | 120.7° | 120.0° |
| N7 | C17 | C18 | H27 | 120.7° | 120.0° |
| N7 | C17 | C18 | C19 | 107.2° | 174.7° |
| C17 | N7 | C22 | C23 | 151.8° | 56.0° |
| C17 | N7 | C16 | H24 | 42.6° | 54.0° |
| C17 | N7 | C16 | H25 | 75.6° | 174.0° |
| N7 | C17 | H26 | H27 | 117.8° | 120.1° |
| N7 | C17 | C18 | H28 | 13.4° | 65.3° |
| N7 | C17 | C18 | H29 | 132.2° | 54.6° |
| C17 | N7 | C22 | H34 | 31.2° | 64.0° |
| C17 | N7 | C22 | H33 | 87.6° | 176.0° |
| C17 | C18 | C19 | H28 | 120.6° | 120.0° |
| C17 | C18 | C19 | H29 | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 69.3° | 180.0° |
| C18 | C17 | N7 | C22 | 129.8° | 64.3° |
| C18 | C17 | H26 | H27 | 117.8° | 119.9° |
| C17 | C18 | H28 | H29 | 118.2° | 120.0° |
| C17 | C18 | C19 | H30 | 170.2° | 60.0° |
| C17 | C18 | C19 | H31 | 51.3° | 60.0° |
| C18 | C19 | C20 | H30 | 120.6° | 120.0° |
| C18 | C19 | C20 | H31 | 120.6° | 120.0° |
| C18 | C19 | C20 | C21 | 147.9° | 147.2° |
| C19 | C18 | C17 | H26 | 132.1° | 65.3° |
| C19 | C18 | C17 | H27 | 13.5° | 54.6° |
| C19 | C18 | H28 | H29 | 118.2° | 120.0° |
| C18 | C19 | H30 | H31 | 118.2° | 120.0° |
| C20 | C19 | C18 | H28 | 51.3° | 60.0° |
| C20 | C19 | C18 | H29 | 170.1° | 60.0° |
| C20 | C19 | H30 | H31 | 118.2° | 120.0° |
| C19 | C20 | C21 | H32 | 167.2° | 177.3° |
| C21 | C20 | C19 | H30 | 27.3° | 92.8° |
| C21 | C20 | C19 | H31 | 91.5° | 27.2° |
| N7 | C22 | C23 | H34 | 120.6° | 120.0° |
| N7 | C22 | C23 | H33 | 120.6° | 120.0° |
| N7 | C22 | C23 | O4 | 61.1° | 65.8° |
| N7 | C22 | C23 | C26 | 177.3° | 176.4° |
| C22 | N7 | C16 | H24 | 169.2° | 70.0° |
| C22 | N7 | C16 | H25 | 51.0° | 50.0° |
| C22 | N7 | C17 | H26 | 109.5° | 55.6° |
| C22 | N7 | C17 | H27 | 9.1° | 175.7° |
| N7 | C22 | H34 | H33 | 118.3° | 120.0° |
| N7 | C22 | C23 | H4 | 60.0° | 55.3° |
| C22 | C23 | O4 | C26 | 123.2° | 119.4° |
| C22 | C23 | O4 | H4 | 120.4° | 121.0° |
| C22 | C23 | O4 | C24 | 164.8° | 145.9° |
| C22 | C23 | C26 | C25 | 157.7° | 121.4° |
| C22 | C23 | C26 | H4 | 122.7° | 121.0° |
| C22 | C23 | C26 | O6 | 82.6° | 119.9° |
| C23 | C22 | H34 | H33 | 118.3° | 120.0° |
| C22 | C23 | C26 | H7 | 41.2° | 2.8° |
| C23 | O4 | C24 | C25 | 28.3° | 40.1° |
| O4 | C23 | C26 | C25 | 37.6° | 2.1° |
| O4 | C23 | C26 | H4 | 117.2° | 119.6° |
| O4 | C23 | C26 | O6 | 157.4° | 120.7° |
| C23 | O4 | C24 | N8 | 152.5° | 158.6° |
| O4 | C23 | C22 | H34 | 59.5° | 174.2° |
| O4 | C23 | C22 | H33 | 178.3° | 54.2° |
| C23 | O4 | C24 | H5 | 88.5° | 78.4° |
| O4 | C23 | C26 | H7 | 78.8° | 116.6° |
| O4 | C24 | C25 | N8 | 121.1° | 118.5° |
| O4 | C24 | C25 | H5 | 117.9° | 118.5° |
| O4 | C24 | C25 | O5 | 122.9° | 155.2° |
| O4 | C24 | C25 | C26 | 3.8° | 37.1° |
| C24 | O4 | C23 | C26 | 41.6° | 26.5° |
| O4 | C24 | N8 | H5 | 119.5° | 122.9° |
| O4 | C24 | N8 | C27 | 55.8° | 23.6° |
| O4 | C24 | N8 | C29 | 127.7° | 156.4° |
| C24 | O4 | C23 | H4 | 74.8° | 93.1° |
| O4 | C24 | C25 | H6 | 113.9° | 81.2° |
| C24 | C25 | O5 | C26 | 113.8° | 112.7° |
| C24 | C25 | O5 | H6 | 122.2° | 123.6° |
| C24 | C25 | C26 | H6 | 117.6° | 118.3° |
| C24 | C25 | C26 | C23 | 20.3° | 20.9° |
| C24 | C25 | C26 | O6 | 140.0° | 97.7° |
| C25 | C24 | N8 | H5 | 120.4° | 123.0° |
| C25 | C24 | N8 | C27 | 64.3° | 90.5° |
| C25 | C24 | N8 | C29 | 112.2° | 89.5° |
| C24 | C25 | O5 | H35 | 180.0° | 180.0° |
| C24 | C25 | C26 | H7 | 96.3° | 139.5° |
| O5 | C25 | C26 | H6 | 124.9° | 123.6° |
| O5 | C25 | C26 | C23 | 97.2° | 139.0° |
| O5 | C25 | C26 | O6 | 22.5° | 20.4° |
| O5 | C25 | C24 | N8 | 116.0° | 86.3° |
| O5 | C25 | C24 | H5 | 5.0° | 36.7° |
| O5 | C25 | C26 | H7 | 146.3° | 102.3° |
| C25 | C26 | C23 | O6 | 119.8° | 118.7° |
| C25 | C26 | C23 | H7 | 116.4° | 118.6° |
| C25 | C26 | O6 | H7 | 122.8° | 122.6° |
| C26 | C25 | C24 | N8 | 124.9° | 155.5° |
| C26 | C25 | O5 | H35 | 66.2° | 67.3° |
| C25 | C26 | C23 | H4 | 79.6° | 117.5° |
| C26 | C25 | C24 | H5 | 114.1° | 81.5° |
| C25 | C26 | O6 | H36 | 180.0° | 61.5° |
| C23 | C26 | O6 | H7 | 123.0° | 122.6° |
| C26 | C23 | C22 | H34 | 56.8° | 56.4° |
| C26 | C23 | C22 | H33 | 62.1° | 63.6° |
| C23 | C26 | C25 | H6 | 137.9° | 97.4° |
| C23 | C26 | O6 | H36 | 65.8° | 176.2° |
| O6 | C26 | C23 | H4 | 40.2° | 1.1° |
| O6 | C26 | C25 | H6 | 102.4° | 144.0° |
| C24 | N8 | C27 | C29 | 177.0° | 180.0° |
| C24 | N8 | C27 | N9 | 176.5° | 180.0° |
| C24 | N8 | C29 | C28 | 176.3° | 179.7° |
| C24 | N8 | C29 | N10 | 3.1° | 0.1° |
| N8 | C24 | C25 | H6 | 7.3° | 37.2° |
| C24 | N8 | C27 | H37 | 3.5° | 0.3° |
| N8 | C27 | N9 | H37 | 180.0° | 179.7° |
| N8 | C27 | N9 | C28 | 0.1° | 0.3° |
| C27 | N8 | C29 | C28 | 0.8° | 0.3° |
| C27 | N8 | C29 | N10 | 179.8° | 179.8° |
| C27 | N8 | C24 | H5 | 175.3° | 146.5° |
| C27 | N9 | C28 | C29 | 0.4° | 0.4° |
| N9 | C27 | N8 | C29 | 0.6° | 0.0° |
| C27 | N9 | C28 | C31 | 178.9° | 180.0° |
| N9 | C28 | C29 | C31 | 179.4° | 179.6° |
| N9 | C28 | C29 | N8 | 0.8° | 0.4° |
| N9 | C28 | C29 | N10 | 179.8° | 179.7° |
| N9 | C28 | C31 | N11 | 179.7° | 179.5° |
| N9 | C28 | C31 | N12 | 0.7° | 0.4° |
| C28 | N9 | C27 | H37 | 179.9° | 180.0° |
| C28 | C29 | N8 | N10 | 179.4° | 179.9° |
| C28 | C29 | N10 | C30 | 0.4° | 0.1° |
| C29 | C28 | C31 | N11 | 0.5° | 0.0° |
| C29 | C28 | C31 | N12 | 178.5° | 179.9° |
| N8 | C29 | N10 | C30 | 178.8° | 180.0° |
| N8 | C29 | C28 | C31 | 178.6° | 179.9° |
| C29 | N8 | C24 | H5 | 8.2° | 33.5° |
| C29 | N8 | C27 | H37 | 179.4° | 179.7° |
| C29 | N10 | C30 | N11 | 0.1° | 0.1° |
| N10 | C29 | C28 | C31 | 0.7° | 0.0° |
| C29 | N10 | C30 | H38 | 179.9° | 180.0° |
| N10 | C30 | N11 | H38 | 180.0° | 179.9° |
| N10 | C30 | N11 | C31 | 0.3° | 0.1° |
| C30 | N11 | C31 | C28 | 0.0° | 0.1° |
| C30 | N11 | C31 | N12 | 179.1° | 179.9° |
| N11 | C31 | C28 | N12 | 179.0° | 179.9° |
| C31 | N11 | C30 | H38 | 179.7° | 180.0° |
| N11 | C31 | N12 | H40 | 0.0° | 179.9° |
| N11 | C31 | N12 | H39 | 120.0° | 0.1° |
| C28 | C31 | N12 | H40 | 179.0° | 0.1° |
| C28 | C31 | N12 | H39 | 61.0° | 180.0° |
| C31 | N12 | H40 | H39 | 120.0° | 179.8° |
| H16 | N1 | C4 | H18 | 117.7° | 119.7° |
| H16 | N1 | C4 | H17 | 1.4° | 120.3° |
| H2 | C7 | C8 | H3 | 36.6° | 21.4° |
| H2 | C7 | C6 | H1 | 153.9° | 160.2° |
| H2 | C7 | O2 | H19 | 56.8° | 62.2° |
| H3 | C8 | C5 | H | 90.5° | 123.8° |
| H3 | C8 | O3 | H20 | 56.0° | 61.2° |
| H13 | C1 | C2 | H15 | 122.8° | 60.1° |
| H13 | C1 | C2 | H14 | 3.7° | 180.0° |
| H13 | C1 | C | H10 | 151.9° | 179.9° |
| H13 | C1 | C | H11 | 88.3° | 60.0° |
| H12 | C1 | C2 | H15 | 117.8° | 180.0° |
| H12 | C1 | C2 | H14 | 123.1° | 60.0° |
| H12 | C1 | C | H10 | 32.5° | 59.9° |
| H12 | C1 | C | H11 | 152.3° | 180.0° |
| H35 | O5 | C25 | H6 | 57.8° | 56.4° |
| H | C5 | C4 | H18 | 72.1° | 174.0° |
| H | C5 | C4 | H17 | 168.8° | 66.0° |
| H8 | N | C | H10 | 59.9° | 63.9° |
| H8 | N | C | H11 | 59.9° | 176.1° |
| H9 | N | C | H10 | 60.1° | 60.1° |
| H9 | N | C | H11 | 179.9° | 59.9° |
| H26 | C17 | C18 | H28 | 107.4° | 54.7° |
| H26 | C17 | C18 | H29 | 11.5° | 174.6° |
| H27 | C17 | C18 | H28 | 134.1° | 174.7° |
| H27 | C17 | C18 | H29 | 107.1° | 65.4° |
| H28 | C18 | C19 | H30 | 69.2° | 180.0° |
| H28 | C18 | C19 | H31 | 171.9° | 60.0° |
| H29 | C18 | C19 | H30 | 49.6° | 60.0° |
| H29 | C18 | C19 | H31 | 69.3° | 180.0° |
| H34 | C22 | C23 | H4 | 179.5° | 64.7° |
| H33 | C22 | C23 | H4 | 60.6° | 175.3° |
| H4 | C23 | C26 | H7 | 164.0° | 123.9° |
| H5 | C24 | C25 | H6 | 128.2° | 160.3° |
| H6 | C25 | C26 | H7 | 21.4° | 21.3° |
| H7 | C26 | O6 | H36 | 57.1° | 61.2° |
