UEC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N7 | doub | 1.32Å | 1.35Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N7 | C26 | sing | 1.32Å | 1.36Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.48Å | 1.48Å | |
| C22 | N6 | sing | 1.35Å | 1.32Å | Aromatic |
| C22 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| N6 | N5 | doub | 1.29Å | 1.38Å | Aromatic |
| C20 | N3 | sing | 1.47Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C28 | N4 | sing | 1.35Å | 1.36Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.33Å | Aromatic |
| N3 | C19 | sing | 1.35Å | 1.34Å | |
| N4 | C21 | sing | 1.47Å | 1.44Å | |
| C32 | C30 | sing | 1.53Å | 1.54Å | |
| C19 | O4 | doub | 1.21Å | 1.23Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C17 | C29 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C29 | O5 | sing | 1.45Å | 1.43Å | |
| O5 | C33 | sing | 1.34Å | 1.34Å | |
| C16 | C15 | doub | 1.33Å | 1.35Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | O7 | doub | 1.21Å | 1.23Å | |
| C35 | C34 | sing | 1.54Å | 1.55Å | |
| C35 | C36 | sing | 1.54Å | 1.51Å | |
| C34 | N8 | sing | 1.47Å | 1.48Å | |
| C15 | C1 | sing | 1.47Å | 1.44Å | |
| O6 | C38 | doub | 1.22Å | 1.23Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| N8 | C38 | sing | 1.33Å | 1.37Å | |
| N8 | C37 | sing | 1.46Å | 1.47Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C38 | C13 | sing | 1.47Å | 1.44Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | N2 | sing | 1.37Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.50Å | 1.51Å | |
| C14 | O2 | sing | 1.35Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.33Å | 1.35Å | |
| N2 | C12 | doub | 1.30Å | 1.30Å | Aromatic |
| O2 | C12 | sing | 1.34Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C5 | C7 | doub | 1.33Å | 1.35Å | |
| F1 | C10 | sing | 1.40Å | 1.33Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.50Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | O3 | sing | 1.43Å | 1.40Å | |
| N1 | H45 | sing | 0.97Å | 1.00Å | |
| N3 | H46 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.07Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O3 | H47 | sing | 0.97Å | 0.95Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.08Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C25 | C24 | 122.5° | 120.9° |
| C25 | N7 | C26 | 118.3° | 122.0° |
| N7 | C25 | H26 | 118.7° | 119.6° |
| C25 | C24 | C23 | 119.0° | 119.0° |
| C25 | C24 | H25 | 120.5° | 120.5° |
| C24 | C25 | H26 | 118.8° | 119.6° |
| N7 | C26 | C27 | 122.6° | 120.9° |
| N7 | C26 | H27 | 118.7° | 119.6° |
| C24 | C23 | C27 | 118.8° | 118.2° |
| C24 | C23 | C22 | 119.9° | 120.9° |
| C23 | C24 | H25 | 120.5° | 120.5° |
| C26 | C27 | C23 | 118.8° | 119.0° |
| C27 | C26 | H27 | 118.7° | 119.5° |
| C26 | C27 | H28 | 120.6° | 120.5° |
| C27 | C23 | C22 | 121.3° | 120.9° |
| C23 | C27 | H28 | 120.6° | 120.5° |
| C23 | C22 | N6 | 123.2° | 126.9° |
| C23 | C22 | C28 | 127.6° | 126.9° |
| N6 | C22 | C28 | 109.2° | 106.2° |
| C22 | N6 | N5 | 108.7° | 108.7° |
| C22 | C28 | N4 | 104.8° | 106.1° |
| C22 | C28 | H29 | 127.6° | 127.0° |
| N6 | N5 | N4 | 106.2° | 110.5° |
| N3 | C20 | C21 | 110.3° | 109.4° |
| C20 | N3 | C19 | 125.1° | 120.0° |
| C20 | N3 | H46 | 117.4° | 120.0° |
| N3 | C20 | H22 | 109.3° | 109.4° |
| N3 | C20 | H21 | 109.3° | 109.4° |
| C20 | C21 | N4 | 109.1° | 109.4° |
| C21 | C20 | H22 | 109.2° | 109.5° |
| C21 | C20 | H21 | 109.3° | 109.5° |
| C20 | C21 | H23 | 109.6° | 109.5° |
| C20 | C21 | H24 | 109.5° | 109.5° |
| C28 | N4 | N5 | 111.0° | 108.5° |
| C28 | N4 | C21 | 127.9° | 125.8° |
| N4 | C28 | H29 | 127.6° | 126.9° |
| N5 | N4 | C21 | 121.2° | 125.7° |
| N3 | C19 | O4 | 122.8° | 120.0° |
| N3 | C19 | C18 | 115.5° | 120.0° |
| C19 | N3 | H46 | 117.5° | 120.0° |
| N4 | C21 | H23 | 109.6° | 109.4° |
| N4 | C21 | H24 | 109.6° | 109.5° |
| C32 | C30 | C31 | 109.6° | 109.5° |
| C32 | C30 | C29 | 113.4° | 109.5° |
| C32 | C30 | H31 | 107.4° | 109.4° |
| C30 | C32 | H36 | 109.5° | 109.5° |
| C30 | C32 | H35 | 109.5° | 109.5° |
| C30 | C32 | H37 | 109.4° | 109.5° |
| O4 | C19 | C18 | 121.7° | 120.0° |
| C19 | C18 | C17 | 116.2° | 109.4° |
| C19 | C18 | H20 | 107.8° | 109.5° |
| C19 | C18 | H19 | 107.8° | 109.5° |
| C18 | C17 | C29 | 111.5° | 109.5° |
| C18 | C17 | C16 | 115.5° | 109.5° |
| C18 | C17 | H18 | 105.9° | 109.6° |
| C17 | C18 | H20 | 107.7° | 109.4° |
| C17 | C18 | H19 | 107.8° | 109.4° |
| C31 | C30 | C29 | 111.6° | 109.5° |
| C31 | C30 | H31 | 107.4° | 109.5° |
| C30 | C31 | H34 | 109.5° | 109.5° |
| C30 | C31 | H33 | 109.4° | 109.5° |
| C30 | C31 | H32 | 109.5° | 109.5° |
| C30 | C29 | C17 | 116.3° | 109.5° |
| C30 | C29 | O5 | 107.7° | 109.5° |
| C30 | C29 | H30 | 107.8° | 109.5° |
| C29 | C30 | H31 | 107.3° | 109.5° |
| C29 | C17 | C16 | 111.1° | 109.3° |
| C17 | C29 | O5 | 107.9° | 109.2° |
| C29 | C17 | H18 | 105.9° | 109.5° |
| C17 | C29 | H30 | 107.7° | 109.6° |
| C17 | C16 | C15 | 127.6° | 119.5° |
| C16 | C17 | H18 | 106.2° | 109.5° |
| C17 | C16 | H17 | 116.2° | 120.1° |
| C29 | O5 | C33 | 121.7° | 116.8° |
| O5 | C29 | H30 | 109.4° | 109.5° |
| O5 | C33 | C34 | 111.1° | 121.0° |
| O5 | C33 | O7 | 125.2° | 119.5° |
| C16 | C15 | C1 | 121.5° | 120.0° |
| C16 | C15 | H16 | 119.2° | 119.3° |
| C15 | C16 | H17 | 116.2° | 120.4° |
| C34 | C33 | O7 | 123.6° | 119.5° |
| C33 | C34 | C35 | 110.6° | 109.1° |
| C33 | C34 | N8 | 116.3° | 108.6° |
| C33 | C34 | H38 | 108.6° | 110.6° |
| C34 | C35 | C36 | 105.5° | 105.3° |
| C35 | C34 | N8 | 103.6° | 107.6° |
| C35 | C34 | H38 | 108.2° | 109.9° |
| C34 | C35 | H39 | 110.4° | 110.3° |
| C34 | C35 | H40 | 110.4° | 110.2° |
| C35 | C36 | C37 | 101.8° | 106.1° |
| C36 | C35 | H39 | 110.5° | 110.3° |
| C36 | C35 | H40 | 110.5° | 110.3° |
| C35 | C36 | H42 | 111.4° | 110.1° |
| C35 | C36 | H41 | 111.4° | 110.1° |
| C34 | N8 | C38 | 122.7° | 122.8° |
| C34 | N8 | C37 | 109.9° | 109.1° |
| N8 | C34 | H38 | 109.1° | 110.9° |
| C15 | C1 | N1 | 113.6° | 120.3° |
| C15 | C1 | O1 | 123.5° | 119.9° |
| C1 | C15 | H16 | 119.2° | 120.7° |
| O6 | C38 | N8 | 122.4° | 118.3° |
| O6 | C38 | C13 | 119.0° | 119.9° |
| C36 | C37 | N8 | 104.9° | 108.4° |
| C37 | C36 | H42 | 111.4° | 110.2° |
| C37 | C36 | H41 | 111.4° | 110.1° |
| C36 | C37 | H43 | 110.6° | 109.7° |
| C36 | C37 | H44 | 110.6° | 109.7° |
| C38 | N8 | C37 | 127.4° | 128.1° |
| N8 | C38 | C13 | 118.6° | 121.8° |
| N8 | C37 | H43 | 110.6° | 109.7° |
| N8 | C37 | H44 | 110.6° | 109.7° |
| N1 | C1 | O1 | 122.9° | 119.8° |
| C1 | N1 | C2 | 125.2° | 119.8° |
| C1 | N1 | H45 | 117.4° | 120.2° |
| C38 | C13 | C14 | 126.3° | 128.5° |
| C38 | C13 | N2 | 125.2° | 124.2° |
| N1 | C2 | C3 | 111.8° | 109.6° |
| C2 | N1 | H45 | 117.4° | 120.1° |
| N1 | C2 | H2 | 108.9° | 109.4° |
| N1 | C2 | H1 | 108.9° | 109.4° |
| C14 | C13 | N2 | 108.1° | 107.1° |
| C13 | C14 | O2 | 108.2° | 106.9° |
| C13 | C14 | H15 | 125.9° | 126.6° |
| C13 | N2 | C12 | 106.3° | 108.2° |
| C2 | C3 | C4 | 125.2° | 120.1° |
| C3 | C2 | H2 | 108.9° | 109.4° |
| C3 | C2 | H1 | 108.9° | 109.4° |
| C2 | C3 | H3 | 117.4° | 120.5° |
| C14 | O2 | C12 | 103.2° | 108.1° |
| O2 | C14 | H15 | 125.9° | 126.5° |
| C3 | C4 | C5 | 124.9° | 119.0° |
| C3 | C4 | H4 | 117.6° | 118.9° |
| C4 | C3 | H3 | 117.4° | 119.4° |
| N2 | C12 | O2 | 113.8° | 109.6° |
| N2 | C12 | C11 | 126.4° | 124.4° |
| O2 | C12 | C11 | 119.9° | 125.9° |
| C6 | C5 | C4 | 119.9° | 119.4° |
| C6 | C5 | C7 | 122.2° | 119.8° |
| C5 | C6 | H6 | 109.5° | 109.4° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C4 | C5 | C7 | 117.8° | 120.8° |
| C5 | C4 | H4 | 117.5° | 122.1° |
| C12 | C11 | C10 | 111.5° | 109.3° |
| C12 | C11 | H14 | 109.0° | 109.5° |
| C12 | C11 | H13 | 109.0° | 109.5° |
| C5 | C7 | C8 | 128.2° | 120.9° |
| C5 | C7 | H8 | 115.9° | 118.9° |
| F1 | C10 | C11 | 110.0° | 109.2° |
| F1 | C10 | C9 | 110.3° | 109.4° |
| F1 | C10 | H12 | 109.0° | 109.3° |
| C11 | C10 | C9 | 114.5° | 110.3° |
| C11 | C10 | H12 | 106.3° | 109.3° |
| C10 | C11 | H14 | 109.0° | 109.5° |
| C10 | C11 | H13 | 109.0° | 109.5° |
| C10 | C9 | C8 | 112.4° | 109.7° |
| C9 | C10 | H12 | 106.4° | 109.3° |
| C10 | C9 | H11 | 108.7° | 109.4° |
| C10 | C9 | H10 | 108.7° | 109.4° |
| C7 | C8 | C9 | 113.9° | 110.4° |
| C7 | C8 | O3 | 107.3° | 109.3° |
| C8 | C7 | H8 | 115.9° | 120.2° |
| C7 | C8 | H9 | 108.9° | 109.3° |
| C9 | C8 | O3 | 107.3° | 109.3° |
| C9 | C8 | H9 | 108.8° | 109.3° |
| C8 | C9 | H11 | 108.8° | 109.5° |
| C8 | C9 | H10 | 108.8° | 109.5° |
| O3 | C8 | H9 | 110.6° | 109.2° |
| C8 | O3 | H47 | 109.5° | 114.0° |
| H6 | C6 | H5 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H5 | C6 | H7 | 109.4° | 109.5° |
| H22 | C20 | H21 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H2 | C2 | H1 | 109.5° | 109.4° |
| H11 | C9 | H10 | 109.5° | 109.4° |
| H14 | C11 | H13 | 109.5° | 109.5° |
| H20 | C18 | H19 | 109.5° | 109.5° |
| H34 | C31 | H33 | 109.5° | 109.4° |
| H34 | C31 | H32 | 109.4° | 109.5° |
| H33 | C31 | H32 | 109.5° | 109.5° |
| H36 | C32 | H35 | 109.4° | 109.4° |
| H36 | C32 | H37 | 109.5° | 109.4° |
| H35 | C32 | H37 | 109.5° | 109.4° |
| H39 | C35 | H40 | 109.5° | 110.3° |
| H42 | C36 | H41 | 109.5° | 110.1° |
| H43 | C37 | H44 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C25 | C24 | H26 | 180.0° | 180.0° |
| N7 | C25 | C24 | C23 | 0.1° | 0.1° |
| C25 | N7 | C26 | C27 | 0.2° | 0.9° |
| N7 | C25 | C24 | H25 | 179.9° | 179.7° |
| C25 | N7 | C26 | H27 | 179.9° | 179.7° |
| C24 | C25 | N7 | C26 | 0.1° | 0.5° |
| C25 | C24 | C23 | H25 | 180.0° | 179.7° |
| C25 | C24 | C23 | C27 | 0.2° | 0.3° |
| C25 | C24 | C23 | C22 | 178.3° | 179.7° |
| N7 | C26 | C27 | H27 | 180.0° | 179.4° |
| N7 | C26 | C27 | C23 | 0.4° | 0.6° |
| C26 | N7 | C25 | H26 | 179.9° | 179.4° |
| N7 | C26 | C27 | H28 | 179.7° | 180.0° |
| C24 | C23 | C27 | C26 | 0.4° | 0.0° |
| C24 | C23 | C27 | C22 | 178.4° | 180.0° |
| C24 | C23 | C22 | N6 | 157.0° | 0.1° |
| C24 | C23 | C22 | C28 | 24.9° | 179.6° |
| C23 | C24 | C25 | H26 | 179.9° | 180.0° |
| C24 | C23 | C27 | H28 | 179.7° | 179.4° |
| C26 | C27 | C23 | H28 | 180.0° | 179.4° |
| C26 | C27 | C23 | C22 | 178.0° | 180.0° |
| C27 | C23 | C22 | N6 | 24.7° | 179.9° |
| C27 | C23 | C22 | C28 | 153.5° | 0.4° |
| C27 | C23 | C24 | H25 | 179.9° | 180.0° |
| C23 | C27 | C26 | H27 | 179.6° | 180.0° |
| C23 | C22 | N6 | C28 | 178.4° | 179.6° |
| C23 | C22 | N6 | N5 | 177.3° | 179.7° |
| C23 | C22 | C28 | N4 | 175.4° | 179.7° |
| C22 | C23 | C24 | H25 | 1.7° | 0.0° |
| C23 | C22 | C28 | H29 | 4.6° | 0.4° |
| C22 | C23 | C27 | H28 | 1.9° | 0.6° |
| N6 | C22 | C28 | N4 | 3.0° | 0.1° |
| C22 | N6 | N5 | N4 | 1.2° | 0.1° |
| N6 | C22 | C28 | H29 | 177.1° | 180.0° |
| C28 | C22 | N6 | N5 | 1.2° | 0.1° |
| C22 | C28 | N4 | H29 | 180.0° | 179.9° |
| C22 | C28 | N4 | N5 | 3.8° | 0.0° |
| C22 | C28 | N4 | C21 | 178.2° | 179.9° |
| N6 | N5 | N4 | C28 | 3.1° | 0.0° |
| N6 | N5 | N4 | C21 | 178.7° | 180.0° |
| N3 | C20 | C21 | H22 | 120.1° | 120.0° |
| N3 | C20 | C21 | H21 | 120.1° | 119.9° |
| C20 | N3 | C19 | H46 | 180.0° | 180.0° |
| N3 | C20 | C21 | N4 | 177.3° | 180.0° |
| C20 | N3 | C19 | O4 | 0.8° | 0.0° |
| C20 | N3 | C19 | C18 | 179.9° | 180.0° |
| N3 | C20 | H22 | H21 | 119.6° | 119.9° |
| N3 | C20 | C21 | H23 | 62.7° | 60.0° |
| N3 | C20 | C21 | H24 | 57.4° | 60.0° |
| C20 | C21 | N4 | C28 | 82.6° | 125.0° |
| C20 | C21 | N4 | N5 | 95.3° | 55.1° |
| C21 | C20 | N3 | C19 | 71.2° | 180.0° |
| C20 | C21 | N4 | H23 | 120.0° | 120.0° |
| C20 | C21 | N4 | H24 | 119.9° | 120.0° |
| C21 | C20 | N3 | H46 | 108.8° | 0.0° |
| C21 | C20 | H22 | H21 | 119.6° | 120.1° |
| C20 | C21 | H23 | H24 | 120.1° | 120.1° |
| C28 | N4 | N5 | C21 | 178.2° | 180.0° |
| C28 | N4 | C21 | H23 | 157.5° | 5.0° |
| C28 | N4 | C21 | H24 | 37.4° | 115.0° |
| N5 | N4 | C21 | H23 | 24.7° | 175.0° |
| N5 | N4 | C21 | H24 | 144.8° | 65.0° |
| N5 | N4 | C28 | H29 | 176.3° | 179.9° |
| N3 | C19 | O4 | C18 | 179.3° | 180.0° |
| N3 | C19 | C18 | C17 | 161.5° | 180.0° |
| C19 | N3 | C20 | H22 | 168.7° | 60.0° |
| C19 | N3 | C20 | H21 | 48.9° | 60.0° |
| N3 | C19 | C18 | H20 | 77.6° | 60.0° |
| N3 | C19 | C18 | H19 | 40.5° | 60.0° |
| N4 | C21 | C20 | H22 | 57.2° | 60.1° |
| N4 | C21 | C20 | H21 | 62.5° | 60.0° |
| N4 | C21 | H23 | H24 | 120.2° | 120.0° |
| C21 | N4 | C28 | H29 | 1.8° | 0.0° |
| C32 | C30 | C31 | C29 | 126.4° | 120.0° |
| C32 | C30 | C31 | H31 | 116.4° | 119.9° |
| C32 | C30 | C29 | H31 | 118.4° | 120.0° |
| C32 | C30 | C29 | C17 | 53.0° | 59.3° |
| C32 | C30 | C29 | O5 | 174.1° | 60.4° |
| C32 | C30 | C29 | H30 | 67.9° | 179.5° |
| C32 | C30 | C31 | H34 | 180.0° | 33.5° |
| C32 | C30 | C31 | H33 | 60.0° | 86.5° |
| C32 | C30 | C31 | H32 | 60.0° | 153.5° |
| C30 | C32 | H36 | H35 | 120.0° | 120.1° |
| C30 | C32 | H36 | H37 | 120.0° | 120.1° |
| C30 | C32 | H35 | H37 | 120.0° | 120.1° |
| O4 | C19 | C18 | C17 | 19.2° | 0.0° |
| O4 | C19 | N3 | H46 | 179.2° | 180.0° |
| O4 | C19 | C18 | H20 | 101.8° | 120.0° |
| O4 | C19 | C18 | H19 | 140.1° | 120.0° |
| C19 | C18 | C17 | H20 | 121.0° | 120.0° |
| C19 | C18 | C17 | H19 | 121.0° | 120.0° |
| C19 | C18 | C17 | C29 | 166.9° | 175.0° |
| C19 | C18 | C17 | C16 | 65.0° | 65.2° |
| C18 | C19 | N3 | H46 | 0.1° | 0.0° |
| C19 | C18 | C17 | H18 | 52.2° | 55.0° |
| C19 | C18 | H20 | H19 | 117.0° | 120.1° |
| C18 | C17 | C29 | C30 | 63.5° | 169.3° |
| C18 | C17 | C29 | C16 | 130.4° | 119.9° |
| C18 | C17 | C29 | H18 | 114.7° | 120.1° |
| C18 | C17 | C16 | H18 | 117.0° | 120.2° |
| C18 | C17 | C29 | O5 | 57.5° | 70.7° |
| C18 | C17 | C16 | C15 | 13.1° | 98.7° |
| C18 | C17 | C16 | H17 | 166.8° | 81.6° |
| C17 | C18 | H20 | H19 | 116.9° | 120.0° |
| C18 | C17 | C29 | H30 | 175.5° | 49.2° |
| C31 | C30 | C29 | H31 | 117.4° | 120.0° |
| C31 | C30 | C29 | C17 | 177.3° | 60.7° |
| C31 | C30 | C29 | O5 | 61.6° | 179.6° |
| C31 | C30 | C29 | H30 | 56.3° | 59.5° |
| C30 | C31 | H34 | H33 | 120.0° | 120.0° |
| C30 | C31 | H34 | H32 | 120.0° | 120.0° |
| C30 | C31 | H33 | H32 | 120.0° | 120.0° |
| C31 | C30 | C32 | H36 | 180.0° | 53.7° |
| C31 | C30 | C32 | H35 | 60.0° | 173.7° |
| C31 | C30 | C32 | H37 | 60.0° | 66.4° |
| C30 | C29 | C17 | O5 | 121.0° | 119.9° |
| C30 | C29 | C17 | H30 | 121.0° | 120.2° |
| C30 | C29 | C17 | C16 | 166.1° | 49.4° |
| C30 | C29 | O5 | H30 | 116.9° | 120.1° |
| C30 | C29 | O5 | C33 | 139.9° | 36.2° |
| C30 | C29 | C17 | H18 | 51.2° | 70.5° |
| C29 | C30 | C31 | H34 | 53.6° | 86.5° |
| C29 | C30 | C31 | H33 | 66.4° | 153.5° |
| C29 | C30 | C31 | H32 | 173.6° | 33.5° |
| C29 | C30 | C32 | H36 | 54.6° | 66.3° |
| C29 | C30 | C32 | H35 | 174.6° | 53.7° |
| C29 | C30 | C32 | H37 | 65.4° | 173.6° |
| C29 | C17 | C16 | H18 | 114.7° | 119.9° |
| C17 | C29 | O5 | H30 | 116.9° | 120.0° |
| C17 | C29 | O5 | C33 | 93.8° | 156.2° |
| C29 | C17 | C16 | C15 | 115.2° | 141.4° |
| C29 | C17 | C16 | H17 | 64.8° | 38.3° |
| C29 | C17 | C18 | H20 | 46.0° | 65.0° |
| C29 | C17 | C18 | H19 | 72.1° | 55.0° |
| C17 | C29 | C30 | H31 | 65.4° | 179.3° |
| C16 | C17 | C29 | O5 | 72.9° | 169.3° |
| C17 | C16 | C15 | H17 | 180.0° | 179.8° |
| C17 | C16 | C15 | C1 | 173.4° | 179.9° |
| C17 | C16 | C15 | H16 | 6.6° | 0.5° |
| C16 | C17 | C18 | H20 | 174.0° | 54.8° |
| C16 | C17 | C18 | H19 | 56.0° | 174.8° |
| C16 | C17 | C29 | H30 | 45.1° | 70.7° |
| C29 | O5 | C33 | C34 | 168.1° | 178.4° |
| C29 | O5 | C33 | O7 | 8.5° | 1.6° |
| O5 | C29 | C17 | H18 | 172.2° | 49.4° |
| O5 | C29 | C30 | H31 | 55.8° | 59.6° |
| O5 | C33 | C34 | O7 | 176.7° | 180.0° |
| O5 | C33 | C34 | C35 | 82.5° | 118.9° |
| O5 | C33 | C34 | N8 | 159.6° | 124.1° |
| C33 | O5 | C29 | H30 | 23.1° | 83.9° |
| O5 | C33 | C34 | H38 | 36.2° | 2.1° |
| C16 | C15 | C1 | H16 | 180.0° | 179.3° |
| C16 | C15 | C1 | N1 | 161.1° | 170.5° |
| C16 | C15 | C1 | O1 | 17.1° | 9.5° |
| C15 | C16 | C17 | H18 | 130.2° | 21.5° |
| C33 | C34 | C35 | N8 | 125.4° | 117.7° |
| C33 | C34 | C35 | H38 | 118.9° | 121.5° |
| C33 | C34 | C35 | C36 | 147.1° | 99.1° |
| C33 | C34 | N8 | H38 | 123.2° | 121.8° |
| C33 | C34 | N8 | C38 | 62.6° | 78.8° |
| C33 | C34 | N8 | C37 | 120.2° | 99.4° |
| C33 | C34 | C35 | H39 | 93.5° | 141.9° |
| C33 | C34 | C35 | H40 | 27.7° | 19.8° |
| O7 | C33 | C34 | C35 | 94.2° | 61.2° |
| O7 | C33 | C34 | N8 | 23.7° | 55.8° |
| O7 | C33 | C34 | H38 | 147.2° | 177.8° |
| C34 | C35 | C36 | H39 | 119.4° | 118.9° |
| C34 | C35 | C36 | H40 | 119.4° | 118.9° |
| C35 | C34 | N8 | H38 | 115.1° | 120.2° |
| C34 | C35 | C36 | C37 | 35.7° | 11.7° |
| C35 | C34 | N8 | C38 | 175.7° | 163.2° |
| C35 | C34 | N8 | C37 | 1.4° | 18.5° |
| C34 | C35 | H39 | H40 | 121.8° | 122.0° |
| C34 | C35 | C36 | H42 | 83.1° | 130.9° |
| C34 | C35 | C36 | H41 | 154.4° | 107.5° |
| C36 | C35 | C34 | N8 | 21.7° | 18.5° |
| C35 | C36 | C37 | H42 | 118.7° | 119.2° |
| C35 | C36 | C37 | H41 | 118.8° | 119.2° |
| C35 | C36 | C37 | N8 | 36.4° | 0.9° |
| C36 | C35 | C34 | H38 | 94.0° | 139.4° |
| C36 | C35 | H39 | H40 | 121.9° | 122.2° |
| C35 | C36 | H42 | H41 | 123.6° | 121.6° |
| C35 | C36 | C37 | H43 | 155.7° | 120.7° |
| C35 | C36 | C37 | H44 | 82.8° | 118.9° |
| C34 | N8 | C38 | O6 | 9.8° | 24.9° |
| C34 | N8 | C37 | C36 | 24.0° | 11.0° |
| C34 | N8 | C38 | C37 | 176.7° | 177.9° |
| C34 | N8 | C38 | C13 | 168.9° | 154.5° |
| N8 | C34 | C35 | H39 | 141.1° | 100.4° |
| N8 | C34 | C35 | H40 | 97.6° | 137.5° |
| C34 | N8 | C37 | H43 | 143.2° | 108.8° |
| C34 | N8 | C37 | H44 | 95.3° | 130.7° |
| C15 | C1 | N1 | O1 | 178.1° | 180.0° |
| C15 | C1 | N1 | C2 | 178.2° | 2.2° |
| C15 | C1 | N1 | H45 | 1.8° | 178.1° |
| C1 | C15 | C16 | H17 | 6.6° | 0.1° |
| O6 | C38 | N8 | C13 | 178.7° | 179.4° |
| O6 | C38 | N8 | C37 | 166.9° | 157.2° |
| O6 | C38 | C13 | C14 | 19.8° | 156.0° |
| O6 | C38 | C13 | N2 | 152.1° | 29.1° |
| C36 | C37 | N8 | C38 | 153.0° | 170.9° |
| C36 | C37 | N8 | H43 | 119.3° | 119.7° |
| C36 | C37 | N8 | H44 | 119.3° | 119.8° |
| C37 | C36 | C35 | H39 | 155.1° | 107.2° |
| C37 | C36 | C35 | H40 | 83.7° | 130.6° |
| C37 | C36 | H42 | H41 | 123.6° | 121.6° |
| C36 | C37 | H43 | H44 | 122.1° | 120.5° |
| N8 | C38 | C13 | C14 | 161.5° | 24.6° |
| N8 | C38 | C13 | N2 | 26.7° | 150.3° |
| C38 | N8 | C34 | H38 | 60.6° | 43.0° |
| C38 | N8 | C37 | H43 | 33.8° | 69.4° |
| C38 | N8 | C37 | H44 | 87.7° | 51.1° |
| C37 | N8 | C38 | C13 | 14.4° | 23.4° |
| C37 | N8 | C34 | H38 | 116.6° | 138.7° |
| N8 | C37 | C36 | H42 | 82.3° | 120.1° |
| N8 | C37 | C36 | H41 | 155.2° | 118.2° |
| N8 | C37 | H43 | H44 | 122.1° | 120.6° |
| C1 | N1 | C2 | H45 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 122.5° | 83.7° |
| N1 | C1 | C15 | H16 | 18.9° | 8.8° |
| C1 | N1 | C2 | H2 | 117.2° | 156.2° |
| C1 | N1 | C2 | H1 | 2.1° | 36.3° |
| O1 | C1 | N1 | C2 | 0.1° | 177.8° |
| O1 | C1 | N1 | H45 | 179.9° | 1.8° |
| O1 | C1 | C15 | H16 | 162.9° | 171.2° |
| C38 | C13 | C14 | N2 | 173.0° | 175.6° |
| C38 | C13 | C14 | O2 | 178.5° | 173.4° |
| C38 | C13 | N2 | C12 | 179.8° | 172.5° |
| C38 | C13 | C14 | H15 | 1.5° | 6.5° |
| N1 | C2 | C3 | H2 | 120.3° | 120.1° |
| N1 | C2 | C3 | H1 | 120.4° | 120.1° |
| N1 | C2 | C3 | C4 | 127.8° | 158.6° |
| N1 | C2 | H2 | H1 | 118.9° | 119.9° |
| N1 | C2 | C3 | H3 | 52.1° | 21.8° |
| C13 | C14 | O2 | H15 | 180.0° | 180.0° |
| C14 | C13 | N2 | C12 | 7.1° | 3.3° |
| C13 | C14 | O2 | C12 | 1.6° | 0.3° |
| N2 | C13 | C14 | O2 | 5.5° | 2.1° |
| C13 | N2 | C12 | O2 | 6.5° | 3.1° |
| C13 | N2 | C12 | C11 | 173.8° | 174.6° |
| N2 | C13 | C14 | H15 | 174.5° | 177.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.6° |
| C2 | C3 | C4 | C5 | 177.8° | 180.0° |
| C3 | C2 | N1 | H45 | 57.5° | 95.9° |
| C2 | C3 | C4 | H4 | 2.1° | 1.6° |
| C3 | C2 | H2 | H1 | 119.0° | 119.9° |
| C14 | O2 | C12 | N2 | 3.0° | 1.8° |
| C14 | O2 | C12 | C11 | 177.3° | 175.9° |
| C3 | C4 | C5 | C6 | 4.9° | 70.8° |
| C3 | C4 | C5 | H4 | 180.0° | 178.4° |
| C3 | C4 | C5 | C7 | 177.1° | 109.5° |
| C4 | C3 | C2 | H2 | 111.8° | 38.6° |
| C4 | C3 | C2 | H1 | 7.5° | 81.3° |
| N2 | C12 | O2 | C11 | 179.7° | 177.7° |
| N2 | C12 | C11 | C10 | 27.2° | 53.8° |
| N2 | C12 | C11 | H14 | 93.1° | 173.7° |
| N2 | C12 | C11 | H13 | 147.5° | 66.1° |
| O2 | C12 | C11 | C10 | 153.1° | 123.6° |
| O2 | C12 | C11 | H14 | 86.6° | 3.7° |
| O2 | C12 | C11 | H13 | 32.9° | 116.4° |
| C12 | O2 | C14 | H15 | 178.5° | 179.7° |
| C6 | C5 | C4 | C7 | 178.0° | 179.7° |
| C6 | C5 | C7 | C8 | 0.2° | 0.2° |
| C6 | C5 | C4 | H4 | 175.1° | 110.8° |
| C5 | C6 | H6 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | H7 | 120.0° | 120.0° |
| C5 | C6 | H5 | H7 | 120.0° | 120.0° |
| C6 | C5 | C7 | H8 | 179.8° | 179.6° |
| C4 | C5 | C7 | C8 | 178.1° | 179.8° |
| C4 | C5 | C6 | H6 | 180.0° | 0.0° |
| C4 | C5 | C6 | H5 | 60.0° | 120.0° |
| C4 | C5 | C6 | H7 | 60.0° | 120.0° |
| C4 | C5 | C7 | H8 | 1.9° | 0.7° |
| C5 | C4 | C3 | H3 | 2.2° | 0.5° |
| C12 | C11 | C10 | F1 | 75.1° | 119.8° |
| C12 | C11 | C10 | H14 | 120.3° | 120.0° |
| C12 | C11 | C10 | H13 | 120.3° | 120.0° |
| C12 | C11 | C10 | C9 | 160.0° | 120.0° |
| C12 | C11 | C10 | H12 | 42.8° | 0.2° |
| C12 | C11 | H14 | H13 | 119.1° | 120.2° |
| C5 | C7 | C8 | H8 | 180.0° | 179.5° |
| C5 | C7 | C8 | C9 | 103.0° | 154.4° |
| C5 | C7 | C8 | O3 | 138.4° | 85.4° |
| C7 | C5 | C4 | H4 | 2.9° | 68.9° |
| C7 | C5 | C6 | H6 | 2.1° | 179.7° |
| C7 | C5 | C6 | H5 | 117.9° | 59.7° |
| C7 | C5 | C6 | H7 | 122.2° | 60.4° |
| C5 | C7 | C8 | H9 | 18.7° | 34.1° |
| F1 | C10 | C11 | C9 | 125.0° | 120.2° |
| F1 | C10 | C11 | H12 | 117.8° | 119.6° |
| F1 | C10 | C9 | H12 | 118.0° | 119.7° |
| F1 | C10 | C9 | C8 | 64.5° | 36.1° |
| F1 | C10 | C9 | H11 | 175.1° | 84.0° |
| F1 | C10 | C9 | H10 | 56.0° | 156.2° |
| F1 | C10 | C11 | H14 | 164.6° | 0.2° |
| F1 | C10 | C11 | H13 | 45.2° | 120.2° |
| C11 | C10 | C9 | H12 | 117.1° | 120.2° |
| C11 | C10 | C9 | C8 | 170.7° | 156.2° |
| C11 | C10 | C9 | H11 | 50.3° | 36.1° |
| C11 | C10 | C9 | H10 | 68.8° | 83.7° |
| C10 | C11 | H14 | H13 | 119.1° | 120.0° |
| C10 | C9 | C8 | C7 | 62.7° | 108.0° |
| C10 | C9 | C8 | H11 | 120.4° | 120.0° |
| C10 | C9 | C8 | H10 | 120.4° | 120.1° |
| C10 | C9 | C8 | O3 | 178.7° | 131.7° |
| C10 | C9 | C8 | H9 | 59.0° | 12.3° |
| C10 | C9 | H11 | H10 | 118.6° | 119.8° |
| C9 | C10 | C11 | H14 | 39.6° | 120.0° |
| C9 | C10 | C11 | H13 | 79.7° | 0.0° |
| C7 | C8 | C9 | O3 | 118.6° | 120.3° |
| C7 | C8 | C9 | H9 | 121.7° | 120.3° |
| C7 | C8 | O3 | H9 | 118.7° | 119.6° |
| C7 | C8 | O3 | H47 | 180.0° | 60.0° |
| C7 | C8 | C9 | H11 | 57.8° | 131.9° |
| C7 | C8 | C9 | H10 | 176.9° | 12.0° |
| C9 | C8 | O3 | H9 | 118.5° | 119.5° |
| C9 | C8 | C7 | H8 | 77.0° | 25.1° |
| C8 | C9 | C10 | H12 | 53.6° | 83.6° |
| C9 | C8 | O3 | H47 | 57.2° | 179.1° |
| C8 | C9 | H11 | H10 | 118.7° | 119.9° |
| O3 | C8 | C7 | H8 | 41.6° | 95.1° |
| O3 | C8 | C9 | H11 | 60.8° | 11.7° |
| O3 | C8 | C9 | H10 | 58.3° | 108.2° |
| H45 | N1 | C2 | H2 | 62.8° | 24.1° |
| H45 | N1 | C2 | H1 | 177.9° | 144.0° |
| H46 | N3 | C20 | H22 | 11.3° | 120.0° |
| H46 | N3 | C20 | H21 | 131.0° | 120.0° |
| H4 | C4 | C3 | H3 | 177.8° | 178.0° |
| H6 | C6 | H5 | H7 | 120.0° | 120.0° |
| H8 | C7 | C8 | H9 | 161.3° | 145.4° |
| H9 | C8 | O3 | H47 | 61.3° | 59.6° |
| H9 | C8 | C9 | H11 | 179.4° | 107.8° |
| H9 | C8 | C9 | H10 | 61.4° | 132.3° |
| H12 | C10 | C9 | H11 | 66.9° | 156.3° |
| H12 | C10 | C9 | H10 | 174.0° | 36.5° |
| H12 | C10 | C11 | H14 | 77.6° | 119.7° |
| H12 | C10 | C11 | H13 | 163.0° | 120.2° |
| H16 | C15 | C16 | H17 | 173.4° | 179.2° |
| H18 | C17 | C16 | H17 | 49.8° | 158.2° |
| H18 | C17 | C18 | H20 | 68.8° | 174.9° |
| H18 | C17 | C18 | H19 | 173.2° | 65.1° |
| H18 | C17 | C29 | H30 | 69.8° | 169.3° |
| H22 | C20 | C21 | H23 | 177.2° | 180.0° |
| H22 | C20 | C21 | H24 | 62.7° | 59.9° |
| H21 | C20 | C21 | H23 | 57.4° | 59.9° |
| H21 | C20 | C21 | H24 | 177.5° | 180.0° |
| H25 | C24 | C25 | H26 | 0.1° | 0.3° |
| H27 | C26 | C27 | H28 | 0.3° | 0.6° |
| H2 | C2 | C3 | H3 | 68.2° | 141.9° |
| H1 | C2 | C3 | H3 | 172.5° | 98.3° |
| H30 | C29 | C30 | H31 | 173.7° | 60.5° |
| H31 | C30 | C31 | H34 | 63.6° | 153.5° |
| H31 | C30 | C31 | H33 | 176.4° | 33.5° |
| H31 | C30 | C31 | H32 | 56.4° | 86.6° |
| H31 | C30 | C32 | H36 | 63.6° | 173.6° |
| H31 | C30 | C32 | H35 | 56.4° | 66.4° |
| H31 | C30 | C32 | H37 | 176.4° | 53.6° |
| H34 | C31 | H33 | H32 | 120.0° | 120.0° |
| H36 | C32 | H35 | H37 | 120.0° | 119.9° |
| H38 | C34 | C35 | H39 | 25.4° | 20.5° |
| H38 | C34 | C35 | H40 | 146.6° | 101.6° |
| H39 | C35 | C36 | H42 | 36.3° | 12.0° |
| H39 | C35 | C36 | H41 | 86.2° | 133.6° |
| H40 | C35 | C36 | H42 | 157.6° | 110.2° |
| H40 | C35 | C36 | H41 | 35.1° | 11.4° |
| H42 | C36 | C37 | H43 | 36.9° | 120.1° |
| H42 | C36 | C37 | H44 | 158.4° | 0.3° |
| H41 | C36 | C37 | H43 | 85.6° | 1.5° |
| H41 | C36 | C37 | H44 | 35.9° | 122.0° |
