UZO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.47Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | trip | 1.17Å | 1.19Å | |
| C5 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | C7 | sing | 1.35Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| N3 | C8 | sing | 1.38Å | 1.34Å | |
| C8 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| N5 | C10 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| N6 | C11 | sing | 1.46Å | 1.45Å | |
| C11 | O | sing | 1.44Å | 1.42Å | |
| O | C12 | sing | 1.44Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | N7 | sing | 1.47Å | 1.46Å | |
| N7 | C14 | sing | 1.35Å | 1.35Å | |
| C14 | O1 | doub | 1.22Å | 1.23Å | |
| N8 | C14 | sing | 1.35Å | 1.35Å | |
| C15 | N8 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C12 | sing | 1.55Å | 1.53Å | |
| O2 | C22 | sing | 1.43Å | 1.42Å | |
| C23 | C22 | sing | 1.55Å | 1.53Å | |
| C11 | C23 | sing | 1.54Å | 1.53Å | |
| O3 | C23 | sing | 1.43Å | 1.43Å | |
| C24 | N1 | sing | 1.47Å | 1.47Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | O4 | sing | 1.44Å | 1.44Å | |
| O4 | C26 | sing | 1.44Å | 1.42Å | |
| C26 | C27 | sing | 1.55Å | 1.54Å | |
| O5 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.55Å | 1.54Å | |
| C28 | C25 | sing | 1.54Å | 1.52Å | |
| O6 | C28 | sing | 1.43Å | 1.42Å | |
| N9 | C26 | sing | 1.47Å | 1.46Å | |
| N9 | C29 | sing | 1.36Å | 1.37Å | Aromatic |
| C29 | N10 | doub | 1.30Å | 1.31Å | Aromatic |
| N10 | C30 | sing | 1.35Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.41Å | 1.41Å | Aromatic |
| N11 | C31 | sing | 1.38Å | 1.34Å | |
| C31 | N12 | sing | 1.33Å | 1.35Å | Aromatic |
| N12 | C32 | doub | 1.32Å | 1.34Å | Aromatic |
| C32 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| N13 | C33 | doub | 1.33Å | 1.34Å | Aromatic |
| C33 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C30 | C33 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O5 | H36 | sing | 0.97Å | 0.95Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| O3 | H33 | sing | 0.97Å | 0.95Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| N | H43 | sing | 1.01Å | 1.00Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H | sing | 1.09Å | 1.10Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C20 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | H31 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.08Å | 1.08Å | |
| C32 | H41 | sing | 1.08Å | 1.08Å | |
| N11 | H39 | sing | 0.97Å | 1.00Å | |
| N11 | H40 | sing | 0.97Å | 1.00Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å | |
| N8 | H24 | sing | 0.97Å | 1.00Å | |
| O2 | H32 | sing | 0.97Å | 0.95Å | |
| O6 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 112.4° | 109.5° |
| C | N | H8 | 109.5° | 111.0° |
| C | N | H43 | 109.5° | 110.9° |
| N | C | H11 | 108.8° | 109.5° |
| N | C | H10 | 108.7° | 109.5° |
| C | C1 | C2 | 112.3° | 109.5° |
| C | C1 | H13 | 108.7° | 109.5° |
| C | C1 | H12 | 108.8° | 109.4° |
| C1 | C | H11 | 108.7° | 109.5° |
| C1 | C | H10 | 108.8° | 109.4° |
| C1 | C2 | N1 | 114.6° | 109.5° |
| C2 | C1 | H13 | 108.8° | 109.5° |
| C2 | C1 | H12 | 108.8° | 109.5° |
| C1 | C2 | H14 | 108.2° | 109.5° |
| C1 | C2 | H15 | 108.2° | 109.5° |
| C2 | N1 | C3 | 115.5° | 111.0° |
| C2 | N1 | C24 | 112.9° | 111.0° |
| N1 | C2 | H14 | 108.2° | 109.5° |
| N1 | C2 | H15 | 108.2° | 109.4° |
| N1 | C3 | C4 | 113.6° | 109.4° |
| C3 | N1 | C24 | 114.7° | 111.0° |
| N1 | C3 | H17 | 108.4° | 109.5° |
| N1 | C3 | H16 | 108.4° | 109.5° |
| C3 | C4 | C5 | 175.1° | 179.9° |
| C4 | C3 | H17 | 108.4° | 109.5° |
| C4 | C3 | H16 | 108.4° | 109.4° |
| C4 | C5 | C6 | 173.4° | 179.9° |
| C5 | C6 | N2 | 124.5° | 125.1° |
| C5 | C6 | N6 | 122.2° | 125.2° |
| C6 | N2 | C7 | 104.2° | 109.4° |
| N2 | C6 | N6 | 113.2° | 109.7° |
| N2 | C7 | C8 | 132.0° | 134.5° |
| N2 | C7 | C10 | 111.0° | 107.4° |
| C7 | C8 | N3 | 123.9° | 120.8° |
| C7 | C8 | N4 | 117.6° | 118.4° |
| C8 | C7 | C10 | 117.1° | 118.1° |
| N3 | C8 | N4 | 118.5° | 120.8° |
| C8 | N3 | H18 | 109.5° | 120.0° |
| C8 | N3 | H19 | 109.5° | 120.0° |
| C8 | N4 | C9 | 118.8° | 121.2° |
| N4 | C9 | N5 | 128.9° | 122.5° |
| N4 | C9 | H20 | 115.5° | 118.8° |
| C9 | N5 | C10 | 111.0° | 120.7° |
| N5 | C9 | H20 | 115.6° | 118.8° |
| N5 | C10 | C7 | 126.7° | 119.0° |
| N5 | C10 | N6 | 127.6° | 134.7° |
| C7 | C10 | N6 | 105.8° | 106.2° |
| C10 | N6 | C6 | 105.9° | 107.3° |
| C10 | N6 | C11 | 125.9° | 126.3° |
| C6 | N6 | C11 | 128.2° | 126.4° |
| N6 | C11 | O | 109.7° | 110.4° |
| N6 | C11 | C23 | 116.4° | 110.4° |
| N6 | C11 | H | 108.3° | 110.4° |
| C11 | O | C12 | 109.3° | 105.3° |
| O | C11 | C23 | 105.8° | 104.8° |
| O | C11 | H | 108.9° | 110.3° |
| O | C12 | C13 | 110.6° | 110.4° |
| O | C12 | C22 | 105.6° | 104.8° |
| O | C12 | H1 | 109.1° | 110.4° |
| C12 | C13 | N7 | 113.6° | 109.5° |
| C13 | C12 | C22 | 115.1° | 110.4° |
| C13 | C12 | H1 | 108.2° | 110.3° |
| C12 | C13 | H22 | 108.5° | 109.5° |
| C12 | C13 | H21 | 108.4° | 109.5° |
| C13 | N7 | C14 | 121.9° | 120.0° |
| N7 | C13 | H22 | 108.4° | 109.5° |
| N7 | C13 | H21 | 108.4° | 109.4° |
| C13 | N7 | H23 | 119.0° | 120.0° |
| N7 | C14 | O1 | 122.3° | 120.0° |
| N7 | C14 | N8 | 115.3° | 120.0° |
| C14 | N7 | H23 | 119.0° | 120.0° |
| O1 | C14 | N8 | 122.4° | 120.0° |
| C14 | N8 | C15 | 122.1° | 120.0° |
| C14 | N8 | H24 | 118.9° | 120.0° |
| N8 | C15 | C16 | 112.9° | 109.5° |
| N8 | C15 | H26 | 108.6° | 109.5° |
| N8 | C15 | H25 | 108.6° | 109.4° |
| C15 | N8 | H24 | 118.9° | 119.9° |
| C15 | C16 | C17 | 120.8° | 120.0° |
| C15 | C16 | C21 | 120.8° | 119.9° |
| C16 | C15 | H26 | 108.6° | 109.5° |
| C16 | C15 | H25 | 108.6° | 109.4° |
| C16 | C17 | C18 | 120.7° | 120.0° |
| C17 | C16 | C21 | 118.4° | 120.0° |
| C16 | C17 | H27 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H27 | 119.6° | 120.0° |
| C17 | C18 | H28 | 119.9° | 120.0° |
| C18 | C19 | C20 | 119.7° | 120.0° |
| C19 | C18 | H28 | 119.9° | 120.0° |
| C18 | C19 | H29 | 120.2° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C20 | C19 | H29 | 120.2° | 120.0° |
| C19 | C20 | H30 | 119.9° | 120.0° |
| C20 | C21 | C16 | 120.8° | 119.9° |
| C21 | C20 | H30 | 119.9° | 120.0° |
| C20 | C21 | H31 | 119.6° | 120.1° |
| C16 | C21 | H31 | 119.6° | 120.0° |
| C12 | C22 | O2 | 110.3° | 110.5° |
| C12 | C22 | C23 | 102.0° | 104.1° |
| C22 | C12 | H1 | 108.1° | 110.5° |
| C12 | C22 | H2 | 110.4° | 110.5° |
| O2 | C22 | C23 | 111.4° | 110.7° |
| O2 | C22 | H2 | 111.9° | 110.5° |
| C22 | O2 | H32 | 109.5° | 113.9° |
| C22 | C23 | C11 | 99.7° | 104.1° |
| C22 | C23 | O3 | 113.1° | 110.5° |
| C23 | C22 | H2 | 110.4° | 110.5° |
| C22 | C23 | H3 | 110.1° | 110.6° |
| C11 | C23 | O3 | 111.6° | 110.5° |
| C23 | C11 | H | 107.5° | 110.4° |
| C11 | C23 | H3 | 110.1° | 110.5° |
| C23 | O3 | H33 | 109.5° | 114.0° |
| O3 | C23 | H3 | 111.6° | 110.5° |
| N1 | C24 | C25 | 111.1° | 109.5° |
| N1 | C24 | H35 | 109.1° | 109.4° |
| N1 | C24 | H34 | 109.1° | 109.5° |
| C24 | C25 | O4 | 109.7° | 109.9° |
| C24 | C25 | C28 | 117.3° | 109.9° |
| C25 | C24 | H35 | 109.1° | 109.4° |
| C25 | C24 | H34 | 109.1° | 109.5° |
| C24 | C25 | H4 | 108.4° | 109.9° |
| C25 | O4 | C26 | 107.3° | 107.0° |
| O4 | C25 | C28 | 103.5° | 107.3° |
| O4 | C25 | H4 | 109.5° | 109.9° |
| O4 | C26 | C27 | 107.6° | 103.5° |
| O4 | C26 | N9 | 108.9° | 110.6° |
| O4 | C26 | H5 | 109.5° | 110.6° |
| C26 | C27 | O5 | 109.6° | 110.9° |
| C26 | C27 | C28 | 103.3° | 102.1° |
| C27 | C26 | N9 | 113.9° | 110.6° |
| C27 | C26 | H5 | 107.9° | 110.6° |
| C26 | C27 | H6 | 109.7° | 110.9° |
| O5 | C27 | C28 | 112.8° | 110.9° |
| C27 | O5 | H36 | 109.5° | 114.0° |
| O5 | C27 | H6 | 111.4° | 110.8° |
| C27 | C28 | C25 | 102.4° | 104.2° |
| C27 | C28 | O6 | 111.7° | 110.5° |
| C28 | C27 | H6 | 109.7° | 110.9° |
| C27 | C28 | H7 | 109.8° | 110.5° |
| C25 | C28 | O6 | 111.2° | 110.5° |
| C28 | C25 | H4 | 108.3° | 110.0° |
| C25 | C28 | H7 | 109.9° | 110.5° |
| O6 | C28 | H7 | 111.4° | 110.5° |
| C28 | O6 | H37 | 109.5° | 114.1° |
| C26 | N9 | C29 | 127.7° | 126.3° |
| C26 | N9 | C33 | 126.4° | 126.3° |
| N9 | C26 | H5 | 108.9° | 110.6° |
| N9 | C29 | N10 | 114.1° | 110.0° |
| C29 | N9 | C33 | 105.7° | 107.5° |
| N9 | C29 | H38 | 122.9° | 125.0° |
| C29 | N10 | C30 | 103.7° | 109.4° |
| N10 | C29 | H38 | 123.0° | 125.0° |
| N10 | C30 | C31 | 132.5° | 134.6° |
| N10 | C30 | C33 | 110.7° | 107.2° |
| C30 | C31 | N11 | 124.0° | 120.8° |
| C30 | C31 | N12 | 117.7° | 118.4° |
| C31 | C30 | C33 | 116.8° | 118.2° |
| N11 | C31 | N12 | 118.3° | 120.8° |
| C31 | N11 | H39 | 109.5° | 120.0° |
| C31 | N11 | H40 | 109.4° | 120.0° |
| C31 | N12 | C32 | 118.7° | 121.2° |
| N12 | C32 | N13 | 128.9° | 122.5° |
| N12 | C32 | H41 | 115.6° | 118.7° |
| C32 | N13 | C33 | 111.0° | 120.7° |
| N13 | C32 | H41 | 115.6° | 118.8° |
| N13 | C33 | N9 | 127.4° | 134.9° |
| N13 | C33 | C30 | 126.8° | 119.1° |
| N9 | C33 | C30 | 105.8° | 106.0° |
| H13 | C1 | H12 | 109.5° | 109.4° |
| H18 | N3 | H19 | 109.5° | 120.0° |
| H17 | C3 | H16 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H8 | N | H43 | 109.4° | 111.0° |
| H11 | C | H10 | 109.4° | 109.5° |
| H22 | C13 | H21 | 109.5° | 109.4° |
| H26 | C15 | H25 | 109.5° | 109.5° |
| H35 | C24 | H34 | 109.5° | 109.5° |
| H39 | N11 | H40 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | H11 | 120.5° | 120.1° |
| N | C | C1 | H10 | 120.4° | 120.0° |
| N | C | C1 | C2 | 49.7° | 175.3° |
| N | C | C1 | H13 | 170.2° | 64.6° |
| N | C | C1 | H12 | 70.7° | 55.3° |
| C | N | H8 | H43 | 120.0° | 123.9° |
| N | C | H11 | H10 | 118.7° | 120.0° |
| C | C1 | C2 | H13 | 120.4° | 120.0° |
| C | C1 | C2 | H12 | 120.4° | 120.0° |
| C | C1 | C2 | N1 | 172.6° | 178.6° |
| C | C1 | H13 | H12 | 118.7° | 119.9° |
| C | C1 | C2 | H14 | 51.9° | 61.4° |
| C | C1 | C2 | H15 | 66.7° | 58.6° |
| C1 | C | N | H8 | 180.0° | 56.1° |
| C1 | C | N | H43 | 60.0° | 179.9° |
| C1 | C | H11 | H10 | 118.7° | 119.9° |
| C1 | C2 | N1 | H14 | 120.7° | 120.0° |
| C1 | C2 | N1 | H15 | 120.8° | 120.0° |
| C1 | C2 | N1 | C3 | 55.0° | 64.8° |
| C1 | C2 | N1 | C24 | 79.7° | 59.1° |
| C2 | C1 | H13 | H12 | 118.7° | 120.0° |
| C1 | C2 | H14 | H15 | 117.7° | 120.0° |
| C2 | C1 | C | H11 | 70.7° | 55.3° |
| C2 | C1 | C | H10 | 170.2° | 64.7° |
| C2 | N1 | C3 | C24 | 134.0° | 123.9° |
| C2 | N1 | C3 | C4 | 147.6° | 68.9° |
| C2 | N1 | C24 | C25 | 137.3° | 73.8° |
| N1 | C2 | C1 | H13 | 67.0° | 58.6° |
| N1 | C2 | C1 | H12 | 52.2° | 61.4° |
| C2 | N1 | C3 | H17 | 91.8° | 171.1° |
| C2 | N1 | C3 | H16 | 27.0° | 51.0° |
| N1 | C2 | H14 | H15 | 117.7° | 120.0° |
| C2 | N1 | C24 | H35 | 17.0° | 46.1° |
| C2 | N1 | C24 | H34 | 102.4° | 166.1° |
| N1 | C3 | C4 | H17 | 120.6° | 120.1° |
| N1 | C3 | C4 | H16 | 120.6° | 119.9° |
| N1 | C3 | C4 | C5 | 64.4° | 168.5° |
| C3 | N1 | C24 | C25 | 87.5° | 162.2° |
| N1 | C3 | H17 | H16 | 118.1° | 120.1° |
| C3 | N1 | C2 | H14 | 65.7° | 175.2° |
| C3 | N1 | C2 | H15 | 175.8° | 55.2° |
| C3 | N1 | C24 | H35 | 152.2° | 77.9° |
| C3 | N1 | C24 | H34 | 32.7° | 42.2° |
| C3 | C4 | C5 | C6 | 165.6° | 164.7° |
| C4 | C3 | N1 | C24 | 78.4° | 167.2° |
| C4 | C3 | H17 | H16 | 118.1° | 119.9° |
| C4 | C5 | C6 | N2 | 0.2° | 176.2° |
| C4 | C5 | C6 | N6 | 175.8° | 3.8° |
| C5 | C4 | C3 | H17 | 175.0° | 48.4° |
| C5 | C4 | C3 | H16 | 56.2° | 71.5° |
| C5 | C6 | N2 | N6 | 176.0° | 180.0° |
| C5 | C6 | N2 | C7 | 175.1° | 180.0° |
| C5 | C6 | N6 | C10 | 175.1° | 179.7° |
| C5 | C6 | N6 | C11 | 5.9° | 0.0° |
| C6 | N2 | C7 | C8 | 177.8° | 180.0° |
| C6 | N2 | C7 | C10 | 0.5° | 0.3° |
| N2 | C6 | N6 | C10 | 1.0° | 0.3° |
| N2 | C6 | N6 | C11 | 178.0° | 180.0° |
| N2 | C7 | C8 | C10 | 178.2° | 179.6° |
| N2 | C7 | C8 | N3 | 1.6° | 0.4° |
| N2 | C7 | C8 | N4 | 177.9° | 179.7° |
| N2 | C7 | C10 | N5 | 178.4° | 179.8° |
| N2 | C7 | C10 | N6 | 0.1° | 0.4° |
| C7 | N2 | C6 | N6 | 0.9° | 0.0° |
| C7 | C8 | N3 | N4 | 179.5° | 180.0° |
| C7 | C8 | N4 | C9 | 0.1° | 0.0° |
| C8 | C7 | C10 | N5 | 0.2° | 0.1° |
| C8 | C7 | C10 | N6 | 178.7° | 179.8° |
| C7 | C8 | N3 | H18 | 179.5° | 0.0° |
| C7 | C8 | N3 | H19 | 59.5° | 180.0° |
| N3 | C8 | N4 | C9 | 179.6° | 180.0° |
| N3 | C8 | C7 | C10 | 179.8° | 180.0° |
| C8 | N3 | H18 | H19 | 120.0° | 180.0° |
| C8 | N4 | C9 | N5 | 0.4° | 0.1° |
| N4 | C8 | C7 | C10 | 0.3° | 0.0° |
| C8 | N4 | C9 | H20 | 179.6° | 179.9° |
| N4 | C8 | N3 | H18 | 0.0° | 180.0° |
| N4 | C8 | N3 | H19 | 120.0° | 0.0° |
| N4 | C9 | N5 | H20 | 180.0° | 179.9° |
| N4 | C9 | N5 | C10 | 0.5° | 0.1° |
| C9 | N5 | C10 | C7 | 0.2° | 0.1° |
| C9 | N5 | C10 | N6 | 178.0° | 179.8° |
| N5 | C10 | C7 | N6 | 178.5° | 179.8° |
| N5 | C10 | N6 | C6 | 177.9° | 179.9° |
| N5 | C10 | N6 | C11 | 3.0° | 0.1° |
| C10 | N5 | C9 | H20 | 179.5° | 180.0° |
| C7 | C10 | N6 | C6 | 0.6° | 0.4° |
| C7 | C10 | N6 | C11 | 178.4° | 179.8° |
| C10 | N6 | C6 | C11 | 179.0° | 179.7° |
| C10 | N6 | C11 | O | 119.7° | 45.3° |
| C10 | N6 | C11 | C23 | 120.3° | 70.1° |
| C10 | N6 | C11 | H | 0.9° | 167.5° |
| C6 | N6 | C11 | O | 61.5° | 135.0° |
| C6 | N6 | C11 | C23 | 58.5° | 109.6° |
| C6 | N6 | C11 | H | 179.7° | 12.8° |
| N6 | C11 | O | C23 | 126.3° | 118.9° |
| N6 | C11 | O | H | 118.5° | 122.3° |
| N6 | C11 | O | C12 | 148.5° | 159.4° |
| N6 | C11 | C23 | C22 | 160.9° | 142.8° |
| N6 | C11 | C23 | H | 121.6° | 122.3° |
| N6 | C11 | C23 | O3 | 79.4° | 98.6° |
| N6 | C11 | C23 | H3 | 45.2° | 24.1° |
| C11 | O | C12 | C13 | 121.1° | 159.3° |
| C11 | O | C12 | C22 | 4.1° | 40.5° |
| O | C11 | C23 | C22 | 38.8° | 24.0° |
| O | C11 | C23 | H | 116.2° | 118.8° |
| O | C11 | C23 | O3 | 158.5° | 142.6° |
| C11 | O | C12 | H1 | 120.0° | 78.5° |
| O | C11 | C23 | H3 | 76.9° | 94.8° |
| O | C12 | C13 | C22 | 119.6° | 115.4° |
| O | C12 | C13 | H1 | 119.4° | 122.3° |
| O | C12 | C13 | N7 | 56.5° | 63.6° |
| O | C12 | C22 | H1 | 116.6° | 118.9° |
| O | C12 | C22 | O2 | 90.2° | 142.8° |
| O | C12 | C22 | C23 | 28.3° | 24.0° |
| C12 | O | C11 | C23 | 22.2° | 40.5° |
| C12 | O | C11 | H | 93.1° | 78.3° |
| O | C12 | C13 | H22 | 177.1° | 176.4° |
| O | C12 | C13 | H21 | 64.1° | 56.4° |
| O | C12 | C22 | H2 | 145.6° | 94.6° |
| C12 | C13 | N7 | H22 | 120.6° | 120.0° |
| C12 | C13 | N7 | H21 | 120.6° | 120.0° |
| C12 | C13 | N7 | C14 | 96.0° | 175.0° |
| C13 | C12 | C22 | H1 | 121.1° | 122.3° |
| C13 | C12 | C22 | O2 | 147.5° | 98.4° |
| C13 | C12 | C22 | C23 | 94.0° | 142.8° |
| C12 | C13 | H22 | H21 | 118.1° | 120.0° |
| C13 | C12 | C22 | H2 | 23.3° | 24.2° |
| C12 | C13 | N7 | H23 | 84.0° | 4.9° |
| C13 | N7 | C14 | H23 | 180.0° | 180.0° |
| C13 | N7 | C14 | O1 | 11.8° | 4.9° |
| C13 | N7 | C14 | N8 | 167.0° | 175.0° |
| N7 | C13 | C12 | C22 | 176.1° | 179.0° |
| N7 | C13 | C12 | H1 | 62.9° | 58.7° |
| N7 | C13 | H22 | H21 | 118.1° | 119.9° |
| N7 | C14 | O1 | N8 | 178.7° | 179.9° |
| N7 | C14 | N8 | C15 | 173.9° | 180.0° |
| C14 | N7 | C13 | H22 | 24.6° | 64.9° |
| C14 | N7 | C13 | H21 | 143.4° | 55.0° |
| N7 | C14 | N8 | H24 | 6.1° | 0.0° |
| O1 | C14 | N8 | C15 | 4.8° | 0.1° |
| O1 | C14 | N7 | H23 | 168.2° | 175.0° |
| O1 | C14 | N8 | H24 | 175.2° | 180.0° |
| C14 | N8 | C15 | H24 | 180.0° | 179.9° |
| C14 | N8 | C15 | C16 | 126.1° | 180.0° |
| C14 | N8 | C15 | H26 | 113.4° | 60.0° |
| C14 | N8 | C15 | H25 | 5.6° | 60.0° |
| N8 | C14 | N7 | H23 | 13.0° | 5.0° |
| N8 | C15 | C16 | H26 | 120.5° | 120.0° |
| N8 | C15 | C16 | H25 | 120.5° | 119.9° |
| N8 | C15 | C16 | C17 | 45.8° | 90.0° |
| N8 | C15 | C16 | C21 | 133.6° | 90.3° |
| N8 | C15 | H26 | H25 | 118.5° | 120.0° |
| C15 | C16 | C17 | C21 | 179.4° | 179.7° |
| C15 | C16 | C17 | C18 | 179.1° | 180.0° |
| C15 | C16 | C21 | C20 | 179.1° | 179.8° |
| C16 | C15 | H26 | H25 | 118.4° | 120.0° |
| C15 | C16 | C17 | H27 | 0.8° | 0.0° |
| C15 | C16 | C21 | H31 | 0.9° | 0.2° |
| C16 | C15 | N8 | H24 | 53.8° | 0.1° |
| C16 | C17 | C18 | H27 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C16 | C21 | C20 | 0.3° | 0.5° |
| C17 | C16 | C15 | H26 | 166.3° | 150.0° |
| C17 | C16 | C15 | H25 | 74.8° | 30.0° |
| C16 | C17 | C18 | H28 | 179.9° | 179.9° |
| C17 | C16 | C21 | H31 | 179.7° | 179.9° |
| C17 | C18 | C19 | H28 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C16 | C21 | 0.2° | 0.3° |
| C17 | C18 | C19 | H29 | 179.9° | 179.9° |
| C18 | C19 | C20 | H29 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.2° |
| C19 | C18 | C17 | H27 | 180.0° | 180.0° |
| C18 | C19 | C20 | H30 | 179.9° | 180.0° |
| C19 | C20 | C21 | H30 | 180.0° | 179.9° |
| C19 | C20 | C21 | C16 | 0.1° | 0.4° |
| C20 | C19 | C18 | H28 | 179.9° | 180.0° |
| C19 | C20 | C21 | H31 | 179.9° | 180.0° |
| C20 | C21 | C16 | H31 | 180.0° | 179.6° |
| C21 | C20 | C19 | H29 | 180.0° | 179.9° |
| C21 | C16 | C15 | H26 | 13.1° | 29.7° |
| C21 | C16 | C15 | H25 | 105.9° | 149.7° |
| C21 | C16 | C17 | H27 | 179.8° | 179.8° |
| C16 | C21 | C20 | H30 | 179.9° | 179.7° |
| C12 | C22 | O2 | C23 | 112.5° | 114.7° |
| C12 | C22 | O2 | H2 | 123.3° | 122.6° |
| C12 | C22 | C23 | H2 | 117.3° | 118.6° |
| C12 | C22 | C23 | C11 | 39.8° | 0.0° |
| C12 | C22 | C23 | O3 | 158.4° | 118.6° |
| C22 | C12 | C13 | H22 | 63.3° | 61.0° |
| C22 | C12 | C13 | H21 | 55.5° | 59.0° |
| C12 | C22 | C23 | H3 | 76.0° | 118.7° |
| C12 | C22 | O2 | H32 | 180.0° | 180.0° |
| O2 | C22 | C23 | H2 | 125.0° | 122.7° |
| O2 | C22 | C23 | C11 | 77.9° | 118.7° |
| O2 | C22 | C23 | O3 | 40.7° | 0.1° |
| O2 | C22 | C12 | H1 | 26.4° | 23.9° |
| O2 | C22 | C23 | H3 | 166.3° | 122.6° |
| C22 | C23 | C11 | O3 | 119.7° | 118.6° |
| C22 | C23 | C11 | H3 | 115.7° | 118.8° |
| C22 | C23 | O3 | H3 | 124.8° | 122.8° |
| C22 | C23 | O3 | H33 | 180.0° | 65.4° |
| C22 | C23 | C11 | H | 77.4° | 94.8° |
| C23 | C22 | C12 | H1 | 144.9° | 94.9° |
| C23 | C22 | O2 | H32 | 67.4° | 65.3° |
| C11 | C23 | O3 | H3 | 123.7° | 122.6° |
| C11 | C23 | O3 | H33 | 68.5° | 180.0° |
| C11 | C23 | C22 | H2 | 157.0° | 118.6° |
| O3 | C23 | C11 | H | 42.3° | 23.8° |
| O3 | C23 | C22 | H2 | 84.3° | 122.7° |
| N1 | C24 | C25 | H35 | 120.2° | 120.0° |
| N1 | C24 | C25 | H34 | 120.2° | 120.0° |
| N1 | C24 | C25 | O4 | 61.9° | 68.0° |
| N1 | C24 | C25 | C28 | 179.5° | 174.2° |
| C24 | N1 | C3 | H17 | 42.2° | 47.1° |
| C24 | N1 | C3 | H16 | 161.0° | 72.9° |
| C24 | N1 | C2 | H14 | 159.5° | 60.9° |
| C24 | N1 | C2 | H15 | 41.0° | 179.1° |
| N1 | C24 | H35 | H34 | 119.2° | 120.0° |
| N1 | C24 | C25 | H4 | 57.6° | 53.0° |
| C24 | C25 | O4 | C28 | 125.9° | 119.5° |
| C24 | C25 | O4 | H4 | 118.8° | 121.0° |
| C24 | C25 | O4 | C26 | 165.1° | 146.0° |
| C24 | C25 | C28 | C27 | 158.8° | 121.5° |
| C24 | C25 | C28 | H4 | 123.0° | 121.1° |
| C24 | C25 | C28 | O6 | 81.7° | 119.8° |
| C25 | C24 | H35 | H34 | 119.3° | 120.0° |
| C24 | C25 | C28 | H7 | 42.2° | 2.8° |
| C25 | O4 | C26 | C27 | 24.0° | 40.1° |
| O4 | C25 | C28 | C27 | 38.0° | 2.0° |
| O4 | C25 | C28 | H4 | 116.1° | 119.4° |
| O4 | C25 | C28 | O6 | 157.4° | 120.7° |
| C25 | O4 | C26 | N9 | 148.0° | 158.6° |
| O4 | C25 | C24 | H35 | 58.4° | 52.0° |
| O4 | C25 | C24 | H34 | 177.9° | 172.0° |
| C25 | O4 | C26 | H5 | 93.0° | 78.5° |
| O4 | C25 | C28 | H7 | 78.7° | 116.7° |
| O4 | C26 | C27 | N9 | 120.8° | 118.5° |
| O4 | C26 | C27 | H5 | 118.1° | 118.5° |
| O4 | C26 | C27 | O5 | 119.8° | 155.2° |
| O4 | C26 | C27 | C28 | 0.7° | 37.0° |
| C26 | O4 | C25 | C28 | 39.2° | 26.5° |
| O4 | C26 | N9 | H5 | 119.4° | 123.0° |
| O4 | C26 | N9 | C29 | 61.8° | 23.9° |
| O4 | C26 | N9 | C33 | 122.4° | 156.5° |
| C26 | O4 | C25 | H4 | 76.1° | 93.0° |
| O4 | C26 | C27 | H6 | 117.6° | 81.2° |
| C26 | C27 | O5 | C28 | 114.5° | 112.7° |
| C26 | C27 | O5 | H6 | 121.6° | 123.6° |
| C26 | C27 | C28 | H6 | 116.9° | 118.2° |
| C26 | C27 | C28 | C25 | 23.2° | 20.9° |
| C26 | C27 | C28 | O6 | 142.3° | 97.8° |
| C27 | C26 | N9 | H5 | 120.5° | 123.0° |
| C27 | C26 | N9 | C29 | 58.3° | 90.1° |
| C27 | C26 | N9 | C33 | 117.4° | 89.5° |
| C26 | C27 | O5 | H36 | 180.0° | 180.0° |
| C26 | C27 | C28 | H7 | 93.6° | 139.6° |
| O5 | C27 | C28 | H6 | 124.8° | 123.6° |
| O5 | C27 | C28 | C25 | 95.1° | 139.1° |
| O5 | C27 | C28 | O6 | 24.0° | 20.4° |
| O5 | C27 | C26 | N9 | 119.4° | 86.3° |
| O5 | C27 | C26 | H5 | 1.7° | 36.7° |
| O5 | C27 | C28 | H7 | 148.1° | 102.2° |
| C27 | C28 | C25 | O6 | 119.5° | 118.7° |
| C27 | C28 | C25 | H7 | 116.6° | 118.6° |
| C27 | C28 | O6 | H7 | 123.2° | 122.6° |
| C28 | C27 | C26 | N9 | 120.1° | 155.5° |
| C28 | C27 | O5 | H36 | 65.5° | 67.3° |
| C27 | C28 | C25 | H4 | 78.2° | 117.4° |
| C28 | C27 | C26 | H5 | 118.8° | 81.5° |
| C27 | C28 | O6 | H37 | 180.0° | 61.4° |
| C25 | C28 | O6 | H7 | 123.1° | 122.6° |
| C28 | C25 | C24 | H35 | 59.2° | 65.9° |
| C28 | C25 | C24 | H34 | 60.3° | 54.2° |
| C25 | C28 | C27 | H6 | 140.1° | 97.3° |
| C25 | C28 | O6 | H37 | 66.2° | 176.2° |
| O6 | C28 | C25 | H4 | 41.3° | 1.3° |
| O6 | C28 | C27 | H6 | 100.8° | 143.9° |
| C26 | N9 | C29 | C33 | 176.5° | 179.7° |
| C26 | N9 | C29 | N10 | 175.9° | 179.7° |
| C26 | N9 | C33 | N13 | 3.2° | 0.0° |
| C26 | N9 | C33 | C30 | 175.9° | 179.9° |
| N9 | C26 | C27 | H6 | 3.2° | 37.3° |
| C26 | N9 | C29 | H38 | 4.2° | 0.1° |
| N9 | C29 | N10 | H38 | 180.0° | 179.8° |
| N9 | C29 | N10 | C30 | 0.3° | 0.2° |
| C29 | N9 | C33 | N13 | 179.7° | 179.7° |
| C29 | N9 | C33 | C30 | 0.6° | 0.3° |
| C29 | N9 | C26 | H5 | 178.9° | 146.9° |
| C29 | N10 | C30 | C31 | 178.9° | 179.9° |
| N10 | C29 | N9 | C33 | 0.6° | 0.0° |
| C29 | N10 | C30 | C33 | 0.1° | 0.4° |
| N10 | C30 | C31 | C33 | 179.0° | 179.4° |
| N10 | C30 | C31 | N11 | 1.0° | 0.6° |
| N10 | C30 | C31 | N12 | 178.8° | 179.4° |
| N10 | C30 | C33 | N13 | 179.6° | 179.6° |
| N10 | C30 | C33 | N9 | 0.5° | 0.4° |
| C30 | N10 | C29 | H38 | 179.7° | 180.0° |
| C30 | C31 | N11 | N12 | 179.8° | 180.0° |
| C30 | C31 | N12 | C32 | 0.5° | 0.1° |
| C31 | C30 | C33 | N13 | 0.3° | 0.0° |
| C31 | C30 | C33 | N9 | 178.7° | 180.0° |
| C30 | C31 | N11 | H39 | 179.8° | 0.0° |
| C30 | C31 | N11 | H40 | 60.2° | 180.0° |
| N11 | C31 | N12 | C32 | 179.7° | 179.9° |
| N11 | C31 | C30 | C33 | 180.0° | 180.0° |
| C31 | N11 | H39 | H40 | 120.0° | 180.0° |
| C31 | N12 | C32 | N13 | 0.3° | 0.2° |
| N12 | C31 | C30 | C33 | 0.2° | 0.0° |
| C31 | N12 | C32 | H41 | 179.7° | 180.0° |
| N12 | C31 | N11 | H39 | 0.0° | 180.0° |
| N12 | C31 | N11 | H40 | 120.0° | 0.0° |
| N12 | C32 | N13 | H41 | 180.0° | 179.8° |
| N12 | C32 | N13 | C33 | 0.2° | 0.1° |
| C32 | N13 | C33 | N9 | 178.4° | 179.9° |
| C32 | N13 | C33 | C30 | 0.5° | 0.1° |
| N13 | C33 | N9 | C30 | 179.1° | 180.0° |
| C33 | N13 | C32 | H41 | 179.8° | 180.0° |
| C33 | N9 | C26 | H5 | 3.1° | 33.5° |
| C33 | N9 | C29 | H38 | 179.4° | 179.8° |
| H13 | C1 | C2 | H14 | 172.3° | 178.6° |
| H13 | C1 | C2 | H15 | 53.8° | 61.4° |
| H13 | C1 | C | H11 | 49.7° | 175.4° |
| H13 | C1 | C | H10 | 69.4° | 55.4° |
| H12 | C1 | C2 | H14 | 68.6° | 58.6° |
| H12 | C1 | C2 | H15 | 172.9° | 178.6° |
| H12 | C1 | C | H11 | 168.8° | 64.7° |
| H12 | C1 | C | H10 | 49.8° | 175.3° |
| H36 | O5 | C27 | H6 | 58.3° | 56.4° |
| H33 | O3 | C23 | H3 | 55.2° | 57.3° |
| H8 | N | C | H11 | 59.6° | 64.0° |
| H8 | N | C | H10 | 59.5° | 176.0° |
| H43 | N | C | H11 | 60.4° | 60.0° |
| H43 | N | C | H10 | 179.5° | 60.0° |
| H | C11 | C23 | H3 | 166.9° | 146.4° |
| H1 | C12 | C13 | H22 | 57.7° | 61.4° |
| H1 | C12 | C13 | H21 | 176.5° | 178.6° |
| H1 | C12 | C22 | H2 | 97.8° | 146.5° |
| H22 | C13 | N7 | H23 | 155.4° | 115.1° |
| H21 | C13 | N7 | H23 | 36.6° | 125.0° |
| H26 | C15 | N8 | H24 | 66.7° | 120.0° |
| H25 | C15 | N8 | H24 | 174.4° | 120.0° |
| H27 | C17 | C18 | H28 | 0.0° | 0.0° |
| H28 | C18 | C19 | H29 | 0.1° | 0.0° |
| H29 | C19 | C20 | H30 | 0.1° | 0.0° |
| H30 | C20 | C21 | H31 | 0.1° | 0.1° |
| H2 | C22 | C23 | H3 | 41.3° | 0.0° |
| H2 | C22 | O2 | H32 | 56.7° | 57.4° |
| H35 | C24 | C25 | H4 | 177.8° | 173.0° |
| H34 | C24 | C25 | H4 | 62.7° | 67.0° |
| H4 | C25 | C28 | H7 | 165.2° | 123.9° |
| H5 | C26 | C27 | H6 | 124.3° | 160.3° |
| H6 | C27 | C28 | H7 | 23.3° | 21.3° |
| H7 | C28 | O6 | H37 | 56.8° | 61.1° |
