A1CTU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C14 | sing | 1.74Å | 1.73Å | |
| C21 | C9 | sing | 1.51Å | 1.50Å | |
| C21 | C18 | sing | 1.51Å | 1.51Å | |
| C5 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N8 | C12 | sing | 1.40Å | 1.41Å | |
| N8 | C16 | sing | 1.39Å | 1.36Å | |
| O1 | C18 | doub | 1.21Å | 1.22Å | |
| C18 | N6 | sing | 1.34Å | 1.38Å | |
| C14 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | N6 | sing | 1.40Å | 1.40Å | |
| C11 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N6 | C32 | sing | 1.47Å | 1.46Å | |
| C4 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C17 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C17 | sing | 1.33Å | 1.34Å | Aromatic |
| C17 | N7 | sing | 1.38Å | 1.35Å | |
| N7 | C25 | sing | 1.47Å | 1.46Å | |
| N7 | C26 | sing | 1.47Å | 1.46Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C24 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | N9 | sing | 1.46Å | 1.45Å | |
| N9 | C13 | sing | 1.40Å | 1.39Å | |
| C13 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C1 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| C1 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | N4 | sing | 1.47Å | 1.45Å | |
| C8 | C15 | sing | 1.46Å | 1.45Å | Aromatic |
| N4 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| C15 | N2 | doub | 1.30Å | 1.30Å | Aromatic |
| C15 | C27 | sing | 1.51Å | 1.51Å | |
| C23 | C27 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| C27 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | N5 | sing | 1.34Å | 1.37Å | |
| C20 | O3 | doub | 1.21Å | 1.23Å | |
| N5 | C19 | sing | 1.34Å | 1.37Å | |
| C22 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| N9 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C14 | C16 | 120.5° | 120.8° |
| CL1 | C14 | C7 | 120.4° | 120.8° |
| C9 | C21 | C18 | 103.5° | 104.1° |
| C21 | C9 | C5 | 131.9° | 132.8° |
| C21 | C9 | C11 | 108.1° | 106.4° |
| C9 | C21 | H9 | 110.9° | 110.5° |
| C9 | C21 | H8 | 110.9° | 110.5° |
| C21 | C18 | O1 | 127.8° | 126.4° |
| C21 | C18 | N6 | 107.6° | 107.1° |
| C18 | C21 | H9 | 111.0° | 110.9° |
| C18 | C21 | H8 | 110.9° | 110.1° |
| C9 | C5 | C12 | 119.6° | 119.8° |
| C5 | C9 | C11 | 120.0° | 120.8° |
| C9 | C5 | H5 | 120.2° | 120.1° |
| C5 | C12 | N8 | 120.2° | 120.1° |
| C5 | C12 | C4 | 120.0° | 119.7° |
| C12 | C5 | H5 | 120.2° | 120.1° |
| C9 | C11 | N6 | 109.8° | 110.2° |
| C9 | C11 | C2 | 120.9° | 119.1° |
| C12 | N8 | C16 | 128.7° | 120.0° |
| N8 | C12 | C4 | 119.8° | 120.2° |
| C12 | N8 | H33 | 115.7° | 120.0° |
| N8 | C16 | C14 | 120.8° | 120.5° |
| N8 | C16 | N3 | 119.5° | 120.5° |
| C16 | N8 | H33 | 115.6° | 120.0° |
| O1 | C18 | N6 | 124.6° | 126.5° |
| C18 | N6 | C11 | 111.0° | 112.2° |
| C18 | N6 | C32 | 123.7° | 123.9° |
| C16 | C14 | C7 | 119.0° | 118.5° |
| C14 | C16 | N3 | 119.8° | 119.0° |
| C14 | C7 | N1 | 121.9° | 119.3° |
| C14 | C7 | H7 | 119.1° | 120.4° |
| C12 | C4 | C2 | 120.8° | 120.3° |
| C12 | C4 | H4 | 119.6° | 119.9° |
| C16 | N3 | C17 | 117.1° | 120.6° |
| N6 | C11 | C2 | 129.3° | 130.7° |
| C11 | N6 | C32 | 125.3° | 123.9° |
| C11 | C2 | C4 | 118.8° | 120.2° |
| C11 | C2 | H2 | 120.6° | 119.9° |
| C7 | N1 | C17 | 115.7° | 120.9° |
| N1 | C7 | H7 | 119.1° | 120.4° |
| N6 | C32 | H30 | 109.5° | 109.4° |
| N6 | C32 | H29 | 109.5° | 109.5° |
| N6 | C32 | H31 | 109.5° | 109.4° |
| C2 | C4 | H4 | 119.6° | 119.8° |
| C4 | C2 | H2 | 120.6° | 119.9° |
| N3 | C17 | N1 | 126.5° | 121.7° |
| N3 | C17 | N7 | 116.6° | 119.2° |
| N1 | C17 | N7 | 116.9° | 119.1° |
| C17 | N7 | C25 | 124.0° | 111.0° |
| C17 | N7 | C26 | 123.4° | 111.1° |
| C25 | N7 | C26 | 112.5° | 111.2° |
| N7 | C25 | C24 | 109.2° | 109.5° |
| N7 | C25 | H16 | 109.6° | 109.4° |
| N7 | C25 | H17 | 109.5° | 109.5° |
| N7 | C26 | C28 | 109.4° | 109.5° |
| N7 | C26 | H18 | 109.5° | 109.4° |
| N7 | C26 | H19 | 109.5° | 109.4° |
| C25 | C24 | C29 | 110.9° | 109.3° |
| C25 | C24 | H15 | 109.1° | 109.5° |
| C25 | C24 | H14 | 109.1° | 109.5° |
| C24 | C25 | H16 | 109.5° | 109.4° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C26 | C28 | C29 | 109.2° | 109.3° |
| C26 | C28 | C30 | 110.5° | 109.5° |
| C28 | C26 | H18 | 109.5° | 109.5° |
| C28 | C26 | H19 | 109.5° | 109.5° |
| C26 | C28 | H21 | 108.0° | 109.5° |
| C24 | C29 | C28 | 111.8° | 109.2° |
| C24 | C29 | N9 | 111.2° | 109.5° |
| C29 | C24 | H15 | 109.1° | 109.5° |
| C29 | C24 | H14 | 109.1° | 109.5° |
| C24 | C29 | H22 | 107.3° | 109.5° |
| C29 | C28 | C30 | 112.9° | 109.5° |
| C28 | C29 | N9 | 110.8° | 109.5° |
| C29 | C28 | H21 | 108.0° | 109.5° |
| C28 | C29 | H22 | 107.3° | 109.5° |
| C30 | C28 | H21 | 108.1° | 109.5° |
| C28 | C30 | H23 | 109.5° | 109.5° |
| C28 | C30 | H24 | 109.5° | 109.5° |
| C28 | C30 | H25 | 109.5° | 109.5° |
| C29 | N9 | C13 | 126.0° | 120.0° |
| N9 | C29 | H22 | 108.3° | 109.6° |
| C29 | N9 | H34 | 105.2° | 120.0° |
| N9 | C13 | C6 | 120.4° | 119.7° |
| N9 | C13 | C3 | 119.5° | 119.8° |
| C13 | N9 | H34 | 105.2° | 120.0° |
| C6 | C13 | C3 | 120.1° | 120.5° |
| C13 | C6 | C10 | 118.7° | 119.7° |
| C13 | C6 | H6 | 120.6° | 120.1° |
| C13 | C3 | C1 | 120.6° | 120.6° |
| C13 | C3 | H3 | 119.7° | 119.8° |
| C6 | C10 | C8 | 121.8° | 119.5° |
| C6 | C10 | N4 | 131.5° | 133.7° |
| C10 | C6 | H6 | 120.6° | 120.2° |
| C3 | C1 | C8 | 120.1° | 119.9° |
| C3 | C1 | H1 | 119.9° | 120.1° |
| C1 | C3 | H3 | 119.7° | 119.7° |
| C8 | C10 | N4 | 106.7° | 106.7° |
| C10 | C8 | C1 | 118.7° | 119.8° |
| C10 | C8 | C15 | 104.0° | 106.3° |
| C10 | N4 | C31 | 128.2° | 125.4° |
| C10 | N4 | N2 | 111.7° | 109.0° |
| C1 | C8 | C15 | 137.3° | 133.8° |
| C8 | C1 | H1 | 120.0° | 120.0° |
| C31 | N4 | N2 | 120.1° | 125.5° |
| N4 | C31 | H26 | 109.5° | 109.5° |
| N4 | C31 | H28 | 109.5° | 109.5° |
| N4 | C31 | H27 | 109.5° | 109.5° |
| C8 | C15 | N2 | 110.9° | 107.8° |
| C8 | C15 | C27 | 128.1° | 126.1° |
| N4 | N2 | C15 | 106.8° | 110.1° |
| N2 | C15 | C27 | 121.0° | 126.1° |
| C15 | C27 | C23 | 111.8° | 109.5° |
| C15 | C27 | C20 | 108.8° | 109.5° |
| C15 | C27 | H20 | 107.8° | 109.5° |
| C27 | C23 | C22 | 111.7° | 108.3° |
| C23 | C27 | C20 | 113.1° | 109.2° |
| C27 | C23 | H13 | 108.9° | 109.6° |
| C27 | C23 | H12 | 108.9° | 109.6° |
| C23 | C27 | H20 | 107.4° | 109.6° |
| C23 | C22 | C19 | 111.9° | 109.0° |
| C23 | C22 | H10 | 108.9° | 109.6° |
| C23 | C22 | H11 | 108.9° | 109.7° |
| C22 | C23 | H13 | 108.9° | 110.0° |
| C22 | C23 | H12 | 108.9° | 109.5° |
| C27 | C20 | N5 | 116.6° | 121.3° |
| C27 | C20 | O3 | 122.4° | 119.4° |
| C20 | C27 | H20 | 107.7° | 109.5° |
| N5 | C20 | O3 | 121.0° | 119.3° |
| C20 | N5 | C19 | 126.7° | 122.6° |
| C20 | N5 | H32 | 116.6° | 118.7° |
| N5 | C19 | C22 | 116.8° | 121.3° |
| N5 | C19 | O2 | 120.5° | 119.4° |
| C19 | N5 | H32 | 116.7° | 118.7° |
| C22 | C19 | O2 | 122.7° | 119.3° |
| C19 | C22 | H10 | 108.9° | 109.5° |
| C19 | C22 | H11 | 108.9° | 109.5° |
| H9 | C21 | H8 | 109.5° | 110.6° |
| H10 | C22 | H11 | 109.5° | 109.6° |
| H15 | C24 | H14 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H13 | C23 | H12 | 109.5° | 109.8° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.4° |
| H23 | C30 | H25 | 109.4° | 109.4° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H26 | C31 | H28 | 109.4° | 109.4° |
| H26 | C31 | H27 | 109.4° | 109.5° |
| H28 | C31 | H27 | 109.5° | 109.5° |
| H30 | C32 | H29 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H29 | C32 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C14 | C16 | N8 | 0.0° | 0.0° |
| CL1 | C14 | C16 | C7 | 180.0° | 180.0° |
| CL1 | C14 | C16 | N3 | 180.0° | 180.0° |
| CL1 | C14 | C7 | N1 | 180.0° | 180.0° |
| CL1 | C14 | C7 | H7 | 0.1° | 0.0° |
| C9 | C21 | C18 | H9 | 119.1° | 118.8° |
| C9 | C21 | C18 | H8 | 119.0° | 118.4° |
| C21 | C9 | C5 | C11 | 180.0° | 179.8° |
| C21 | C9 | C5 | C12 | 180.0° | 180.0° |
| C9 | C21 | C18 | O1 | 179.9° | 180.0° |
| C9 | C21 | C18 | N6 | 0.0° | 0.5° |
| C21 | C9 | C11 | N6 | 0.0° | 0.1° |
| C21 | C9 | C11 | C2 | 180.0° | 179.7° |
| C21 | C9 | C5 | H5 | 0.0° | 0.3° |
| C9 | C21 | H9 | H8 | 122.7° | 122.7° |
| C18 | C21 | C9 | C5 | 180.0° | 179.6° |
| C18 | C21 | C9 | C11 | 0.0° | 0.2° |
| C21 | C18 | O1 | N6 | 179.9° | 179.4° |
| C21 | C18 | N6 | C11 | 0.0° | 0.6° |
| C21 | C18 | N6 | C32 | 180.0° | 179.4° |
| C18 | C21 | H9 | H8 | 122.8° | 122.5° |
| C9 | C5 | C12 | H5 | 180.0° | 179.7° |
| C9 | C5 | C12 | N8 | 180.0° | 180.0° |
| C9 | C5 | C12 | C4 | 0.0° | 0.0° |
| C5 | C9 | C11 | N6 | 180.0° | 179.9° |
| C5 | C9 | C11 | C2 | 0.0° | 0.5° |
| C5 | C9 | C21 | H9 | 60.9° | 61.4° |
| C5 | C9 | C21 | H8 | 61.0° | 61.4° |
| C12 | C5 | C9 | C11 | 0.0° | 0.2° |
| C5 | C12 | N8 | C4 | 179.9° | 180.0° |
| C5 | C12 | N8 | C16 | 120.7° | 32.8° |
| C5 | C12 | C4 | C2 | 0.0° | 0.0° |
| C5 | C12 | C4 | H4 | 180.0° | 179.7° |
| C5 | C12 | N8 | H33 | 59.3° | 147.2° |
| C9 | C11 | N6 | C18 | 0.0° | 0.4° |
| C9 | C11 | N6 | C2 | 180.0° | 179.6° |
| C9 | C11 | N6 | C32 | 180.0° | 179.5° |
| C9 | C11 | C2 | C4 | 0.0° | 0.5° |
| C11 | C9 | C5 | H5 | 180.0° | 180.0° |
| C11 | C9 | C21 | H9 | 119.1° | 118.8° |
| C11 | C9 | C21 | H8 | 119.0° | 118.4° |
| C9 | C11 | C2 | H2 | 180.0° | 179.5° |
| C12 | N8 | C16 | H33 | 180.0° | 180.0° |
| C12 | N8 | C16 | C14 | 159.4° | 174.4° |
| C12 | N8 | C16 | N3 | 20.6° | 5.5° |
| N8 | C12 | C4 | C2 | 179.9° | 180.0° |
| N8 | C12 | C4 | H4 | 0.0° | 0.3° |
| N8 | C12 | C5 | H5 | 0.0° | 0.3° |
| N8 | C16 | C14 | N3 | 180.0° | 180.0° |
| N8 | C16 | C14 | C7 | 180.0° | 180.0° |
| C16 | N8 | C12 | C4 | 59.3° | 147.2° |
| N8 | C16 | N3 | C17 | 180.0° | 180.0° |
| O1 | C18 | N6 | C11 | 179.9° | 179.9° |
| O1 | C18 | N6 | C32 | 0.1° | 0.1° |
| O1 | C18 | C21 | H9 | 61.0° | 61.2° |
| O1 | C18 | C21 | H8 | 60.9° | 61.6° |
| C18 | N6 | C11 | C32 | 180.0° | 180.0° |
| C18 | N6 | C11 | C2 | 180.0° | 180.0° |
| N6 | C18 | C21 | H9 | 119.1° | 118.3° |
| N6 | C18 | C21 | H8 | 119.0° | 118.9° |
| C18 | N6 | C32 | H30 | 180.0° | 90.0° |
| C18 | N6 | C32 | H29 | 60.0° | 30.0° |
| C18 | N6 | C32 | H31 | 60.0° | 149.9° |
| C16 | C14 | C7 | N1 | 0.0° | 0.0° |
| C14 | C16 | N3 | C17 | 0.0° | 0.0° |
| C16 | C14 | C7 | H7 | 179.9° | 180.0° |
| C14 | C16 | N8 | H33 | 20.6° | 5.6° |
| C7 | C14 | C16 | N3 | 0.0° | 0.0° |
| C14 | C7 | N1 | H7 | 180.0° | 180.0° |
| C14 | C7 | N1 | C17 | 0.1° | 0.0° |
| C12 | C4 | C2 | C11 | 0.0° | 0.2° |
| C12 | C4 | C2 | H4 | 180.0° | 179.7° |
| C4 | C12 | C5 | H5 | 180.0° | 179.7° |
| C12 | C4 | C2 | H2 | 180.0° | 179.7° |
| C4 | C12 | N8 | H33 | 120.7° | 32.8° |
| C16 | N3 | C17 | N1 | 0.0° | 0.0° |
| C16 | N3 | C17 | N7 | 179.9° | 180.0° |
| N3 | C16 | N8 | H33 | 159.4° | 174.5° |
| N6 | C11 | C2 | C4 | 180.0° | 180.0° |
| N6 | C11 | C2 | H2 | 0.0° | 0.1° |
| C11 | N6 | C32 | H30 | 0.0° | 90.0° |
| C11 | N6 | C32 | H29 | 120.0° | 150.0° |
| C11 | N6 | C32 | H31 | 120.0° | 30.0° |
| C2 | C11 | N6 | C32 | 0.0° | 0.1° |
| C11 | C2 | C4 | H2 | 180.0° | 179.9° |
| C11 | C2 | C4 | H4 | 180.0° | 179.9° |
| C7 | N1 | C17 | N3 | 0.0° | 0.1° |
| C7 | N1 | C17 | N7 | 179.8° | 180.0° |
| N6 | C32 | H30 | H29 | 120.0° | 120.0° |
| N6 | C32 | H30 | H31 | 120.0° | 120.0° |
| N6 | C32 | H29 | H31 | 120.0° | 120.0° |
| N3 | C17 | N1 | N7 | 179.9° | 179.9° |
| N3 | C17 | N7 | C25 | 5.1° | 56.0° |
| N3 | C17 | N7 | C26 | 178.0° | 179.8° |
| N1 | C17 | N7 | C25 | 174.8° | 124.0° |
| N1 | C17 | N7 | C26 | 2.1° | 0.3° |
| C17 | N1 | C7 | H7 | 179.9° | 180.0° |
| C17 | N7 | C25 | C26 | 177.2° | 124.2° |
| C17 | N7 | C25 | C24 | 115.5° | 174.2° |
| C17 | N7 | C26 | C28 | 113.9° | 174.1° |
| C17 | N7 | C26 | H18 | 6.1° | 54.1° |
| C17 | N7 | C26 | H19 | 126.1° | 65.8° |
| C17 | N7 | C25 | H16 | 124.6° | 65.9° |
| C17 | N7 | C25 | H17 | 4.5° | 54.1° |
| N7 | C25 | C24 | H16 | 120.0° | 120.0° |
| N7 | C25 | C24 | H17 | 119.9° | 120.0° |
| C25 | N7 | C26 | C28 | 63.3° | 61.7° |
| N7 | C25 | C24 | C29 | 55.2° | 59.2° |
| N7 | C25 | C24 | H15 | 175.4° | 60.8° |
| N7 | C25 | C24 | H14 | 65.1° | 179.1° |
| C25 | N7 | C26 | H18 | 176.7° | 178.3° |
| C25 | N7 | C26 | H19 | 56.6° | 58.3° |
| N7 | C25 | H16 | H17 | 120.1° | 120.0° |
| C26 | N7 | C25 | C24 | 61.7° | 61.7° |
| N7 | C26 | C28 | H18 | 120.0° | 120.0° |
| N7 | C26 | C28 | H19 | 120.0° | 120.0° |
| N7 | C26 | C28 | C29 | 57.2° | 59.2° |
| N7 | C26 | C28 | C30 | 178.0° | 60.8° |
| N7 | C26 | H18 | H19 | 120.0° | 119.9° |
| N7 | C26 | C28 | H21 | 60.0° | 179.2° |
| C26 | N7 | C25 | H16 | 58.2° | 58.3° |
| C26 | N7 | C25 | H17 | 178.3° | 178.3° |
| C25 | C24 | C29 | H15 | 120.2° | 119.9° |
| C25 | C24 | C29 | H14 | 120.2° | 120.0° |
| C25 | C24 | C29 | C28 | 52.8° | 57.6° |
| C25 | C24 | C29 | N9 | 177.2° | 62.3° |
| C25 | C24 | H15 | H14 | 119.3° | 120.1° |
| C24 | C25 | H16 | H17 | 120.1° | 120.0° |
| C25 | C24 | C29 | H22 | 64.6° | 177.5° |
| C26 | C28 | C29 | C24 | 53.2° | 57.7° |
| C26 | C28 | C29 | C30 | 123.4° | 120.0° |
| C26 | C28 | C29 | H21 | 117.2° | 120.0° |
| C26 | C28 | C30 | H21 | 118.0° | 120.1° |
| C26 | C28 | C29 | N9 | 177.8° | 62.2° |
| C28 | C26 | H18 | H19 | 120.0° | 120.0° |
| C26 | C28 | C29 | H22 | 64.2° | 177.6° |
| C26 | C28 | C30 | H23 | 180.0° | 60.0° |
| C26 | C28 | C30 | H24 | 60.0° | 180.0° |
| C26 | C28 | C30 | H25 | 60.0° | 60.0° |
| C24 | C29 | C28 | N9 | 124.6° | 119.9° |
| C24 | C29 | C28 | H22 | 117.4° | 119.9° |
| C24 | C29 | C28 | C30 | 176.6° | 62.3° |
| C24 | C29 | N9 | H22 | 117.6° | 120.2° |
| C24 | C29 | N9 | C13 | 96.7° | 85.0° |
| C29 | C24 | H15 | H14 | 119.3° | 120.1° |
| C24 | C29 | C28 | H21 | 64.0° | 177.7° |
| C29 | C24 | C25 | H16 | 64.8° | 60.8° |
| C29 | C24 | C25 | H17 | 175.1° | 179.2° |
| C24 | C29 | N9 | H34 | 25.5° | 95.0° |
| C29 | C28 | C30 | H21 | 119.4° | 120.0° |
| C28 | C29 | N9 | H22 | 117.4° | 120.2° |
| C28 | C29 | N9 | C13 | 138.3° | 155.3° |
| C28 | C29 | C24 | H15 | 173.0° | 62.3° |
| C28 | C29 | C24 | H14 | 67.4° | 177.6° |
| C29 | C28 | C26 | H18 | 177.2° | 179.2° |
| C29 | C28 | C26 | H19 | 62.8° | 60.8° |
| C29 | C28 | C30 | H23 | 57.4° | 59.8° |
| C29 | C28 | C30 | H24 | 177.4° | 60.1° |
| C29 | C28 | C30 | H25 | 62.6° | 179.8° |
| C28 | C29 | N9 | H34 | 99.5° | 24.6° |
| C30 | C28 | C29 | N9 | 58.8° | 177.8° |
| C30 | C28 | C26 | H18 | 58.0° | 59.2° |
| C30 | C28 | C26 | H19 | 62.0° | 179.3° |
| C30 | C28 | C29 | H22 | 59.2° | 57.6° |
| C28 | C30 | H23 | H24 | 120.0° | 120.0° |
| C28 | C30 | H23 | H25 | 120.0° | 120.0° |
| C28 | C30 | H24 | H25 | 120.0° | 120.1° |
| C29 | N9 | C13 | H34 | 122.2° | 179.9° |
| C29 | N9 | C13 | C6 | 16.2° | 180.0° |
| C29 | N9 | C13 | C3 | 163.8° | 0.0° |
| N9 | C29 | C24 | H15 | 62.6° | 177.8° |
| N9 | C29 | C24 | H14 | 57.0° | 57.7° |
| N9 | C29 | C28 | H21 | 60.6° | 57.8° |
| N9 | C13 | C6 | C3 | 179.9° | 179.9° |
| N9 | C13 | C6 | C10 | 180.0° | 180.0° |
| N9 | C13 | C3 | C1 | 180.0° | 180.0° |
| N9 | C13 | C6 | H6 | 0.0° | 0.4° |
| C13 | N9 | C29 | H22 | 20.9° | 35.1° |
| N9 | C13 | C3 | H3 | 0.0° | 0.1° |
| C13 | C6 | C10 | H6 | 180.0° | 179.6° |
| C6 | C13 | C3 | C1 | 0.1° | 0.1° |
| C13 | C6 | C10 | C8 | 0.1° | 0.4° |
| C13 | C6 | C10 | N4 | 180.0° | 179.8° |
| C6 | C13 | C3 | H3 | 180.0° | 180.0° |
| C6 | C13 | N9 | H34 | 106.0° | 0.1° |
| C3 | C13 | C6 | C10 | 0.1° | 0.1° |
| C13 | C3 | C1 | H3 | 180.0° | 180.0° |
| C13 | C3 | C1 | C8 | 0.0° | 0.3° |
| C3 | C13 | C6 | H6 | 180.0° | 179.7° |
| C13 | C3 | C1 | H1 | 179.9° | 179.5° |
| C3 | C13 | N9 | H34 | 74.0° | 180.0° |
| C6 | C10 | C8 | N4 | 179.9° | 179.9° |
| C6 | C10 | C8 | C1 | 0.1° | 0.6° |
| C6 | C10 | N4 | C31 | 0.1° | 0.2° |
| C6 | C10 | C8 | C15 | 180.0° | 180.0° |
| C6 | C10 | N4 | N2 | 180.0° | 180.0° |
| C3 | C1 | C8 | C10 | 0.1° | 0.6° |
| C3 | C1 | C8 | H1 | 180.0° | 179.9° |
| C3 | C1 | C8 | C15 | 180.0° | 179.8° |
| C10 | C8 | C1 | C15 | 179.9° | 179.2° |
| C8 | C10 | N4 | C31 | 180.0° | 180.0° |
| C8 | C10 | N4 | N2 | 0.1° | 0.1° |
| C10 | C8 | C15 | N2 | 0.0° | 0.0° |
| C10 | C8 | C15 | C27 | 179.9° | 180.0° |
| C8 | C10 | C6 | H6 | 180.0° | 180.0° |
| C10 | C8 | C1 | H1 | 179.9° | 179.2° |
| N4 | C10 | C8 | C1 | 180.0° | 179.5° |
| C10 | N4 | C31 | N2 | 179.9° | 179.9° |
| N4 | C10 | C8 | C15 | 0.1° | 0.1° |
| C10 | N4 | N2 | C15 | 0.0° | 0.1° |
| N4 | C10 | C6 | H6 | 0.0° | 0.1° |
| C10 | N4 | C31 | H26 | 179.9° | 89.9° |
| C10 | N4 | C31 | H28 | 59.9° | 150.1° |
| C10 | N4 | C31 | H27 | 60.1° | 30.1° |
| C1 | C8 | C15 | N2 | 180.0° | 179.3° |
| C1 | C8 | C15 | C27 | 0.0° | 0.7° |
| C8 | C1 | C3 | H3 | 180.0° | 179.7° |
| C31 | N4 | N2 | C15 | 180.0° | 179.9° |
| N4 | C31 | H26 | H28 | 120.0° | 120.0° |
| N4 | C31 | H26 | H27 | 120.0° | 120.0° |
| N4 | C31 | H28 | H27 | 120.0° | 120.0° |
| C8 | C15 | N2 | N4 | 0.0° | 0.0° |
| C8 | C15 | N2 | C27 | 180.0° | 180.0° |
| C8 | C15 | C27 | C23 | 72.2° | 120.0° |
| C8 | C15 | C27 | C20 | 53.5° | 120.3° |
| C15 | C8 | C1 | H1 | 0.0° | 0.0° |
| C8 | C15 | C27 | H20 | 170.0° | 0.2° |
| N4 | N2 | C15 | C27 | 180.0° | 180.0° |
| N2 | N4 | C31 | H26 | 0.0° | 89.9° |
| N2 | N4 | C31 | H28 | 120.0° | 30.0° |
| N2 | N4 | C31 | H27 | 120.0° | 150.1° |
| N2 | C15 | C27 | C23 | 107.8° | 60.0° |
| N2 | C15 | C27 | C20 | 126.5° | 59.7° |
| N2 | C15 | C27 | H20 | 10.0° | 179.9° |
| C15 | C27 | C23 | C20 | 123.3° | 119.9° |
| C15 | C27 | C23 | H20 | 118.0° | 120.1° |
| C15 | C27 | C23 | C22 | 165.5° | 175.8° |
| C15 | C27 | C20 | H20 | 116.6° | 120.1° |
| C15 | C27 | C20 | N5 | 130.5° | 149.0° |
| C15 | C27 | C20 | O3 | 49.1° | 30.8° |
| C15 | C27 | C23 | H13 | 74.1° | 55.8° |
| C15 | C27 | C23 | H12 | 45.2° | 64.7° |
| C27 | C23 | C22 | H13 | 120.3° | 119.8° |
| C27 | C23 | C22 | H12 | 120.4° | 119.5° |
| C23 | C27 | C20 | H20 | 118.5° | 120.0° |
| C23 | C27 | C20 | N5 | 5.6° | 29.1° |
| C23 | C27 | C20 | O3 | 174.1° | 150.7° |
| C27 | C23 | C22 | C19 | 51.8° | 56.0° |
| C27 | C23 | C22 | H10 | 68.6° | 175.8° |
| C27 | C23 | C22 | H11 | 172.2° | 63.8° |
| C27 | C23 | H13 | H12 | 119.0° | 120.4° |
| C22 | C23 | C27 | C20 | 42.2° | 55.9° |
| C23 | C22 | C19 | N5 | 24.7° | 29.4° |
| C23 | C22 | C19 | H10 | 120.3° | 119.9° |
| C23 | C22 | C19 | H11 | 120.4° | 120.0° |
| C23 | C22 | C19 | O2 | 154.9° | 150.9° |
| C23 | C22 | H10 | H11 | 118.9° | 120.4° |
| C22 | C23 | H13 | H12 | 119.0° | 120.6° |
| C22 | C23 | C27 | H20 | 76.4° | 64.0° |
| C27 | C20 | N5 | O3 | 179.7° | 179.7° |
| C27 | C20 | N5 | C19 | 25.7° | 0.3° |
| C20 | C27 | C23 | H13 | 162.5° | 64.1° |
| C20 | C27 | C23 | H12 | 78.1° | 175.4° |
| C27 | C20 | N5 | H32 | 154.3° | 179.6° |
| C20 | N5 | C19 | H32 | 180.0° | 179.9° |
| C20 | N5 | C19 | C22 | 15.7° | 0.5° |
| C20 | N5 | C19 | O2 | 164.8° | 179.8° |
| N5 | C20 | C27 | H20 | 112.9° | 90.9° |
| O3 | C20 | N5 | C19 | 154.6° | 179.5° |
| O3 | C20 | C27 | H20 | 67.4° | 89.4° |
| O3 | C20 | N5 | H32 | 25.4° | 0.6° |
| N5 | C19 | C22 | O2 | 179.6° | 179.7° |
| N5 | C19 | C22 | H10 | 95.6° | 149.3° |
| N5 | C19 | C22 | H11 | 145.1° | 90.6° |
| C19 | C22 | H10 | H11 | 118.9° | 120.1° |
| C19 | C22 | C23 | H13 | 172.1° | 63.7° |
| C19 | C22 | C23 | H12 | 68.6° | 175.5° |
| C22 | C19 | N5 | H32 | 164.3° | 179.4° |
| O2 | C19 | C22 | H10 | 84.8° | 31.0° |
| O2 | C19 | C22 | H11 | 34.5° | 89.2° |
| O2 | C19 | N5 | H32 | 15.3° | 0.3° |
| H4 | C4 | C2 | H2 | 0.0° | 0.0° |
| H10 | C22 | C23 | H13 | 51.8° | 56.1° |
| H10 | C22 | C23 | H12 | 171.1° | 64.6° |
| H11 | C22 | C23 | H13 | 67.5° | 176.4° |
| H11 | C22 | C23 | H12 | 51.8° | 55.7° |
| H15 | C24 | C25 | H16 | 55.4° | 179.3° |
| H15 | C24 | C25 | H17 | 64.7° | 59.3° |
| H15 | C24 | C29 | H22 | 55.6° | 57.6° |
| H14 | C24 | C25 | H16 | 175.0° | 59.2° |
| H14 | C24 | C25 | H17 | 54.9° | 60.9° |
| H14 | C24 | C29 | H22 | 175.2° | 62.5° |
| H18 | C26 | C28 | H21 | 60.0° | 60.9° |
| H19 | C26 | C28 | H21 | 179.9° | 59.2° |
| H21 | C28 | C29 | H22 | 178.6° | 62.4° |
| H21 | C28 | C30 | H23 | 62.0° | 179.8° |
| H21 | C28 | C30 | H24 | 58.0° | 59.9° |
| H21 | C28 | C30 | H25 | 178.0° | 60.2° |
| H1 | C1 | C3 | H3 | 0.1° | 0.4° |
| H13 | C23 | C27 | H20 | 43.9° | 175.9° |
| H12 | C23 | C27 | H20 | 163.2° | 55.4° |
| H22 | C29 | N9 | H34 | 143.1° | 144.8° |
| H23 | C30 | H24 | H25 | 120.0° | 119.9° |
| H26 | C31 | H28 | H27 | 119.9° | 120.0° |
| H30 | C32 | H29 | H31 | 120.0° | 120.1° |
