A1CM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | C21 | sing | 1.51Å | 1.50Å | |
| C18 | N5 | sing | 1.34Å | 1.37Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| N5 | C19 | sing | 1.34Å | 1.37Å | |
| C19 | O2 | doub | 1.21Å | 1.23Å | |
| C19 | C27 | sing | 1.51Å | 1.52Å | |
| C27 | C22 | sing | 1.53Å | 1.54Å | |
| C27 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | N2 | doub | 1.30Å | 1.30Å | Aromatic |
| C15 | C8 | sing | 1.46Å | 1.45Å | Aromatic |
| N2 | N4 | sing | 1.40Å | 1.37Å | Aromatic |
| C8 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| N4 | C31 | sing | 1.46Å | 1.46Å | |
| N4 | C9 | sing | 1.37Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C9 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | N8 | sing | 1.40Å | 1.39Å | |
| N8 | C25 | sing | 1.47Å | 1.46Å | |
| N8 | C26 | sing | 1.47Å | 1.46Å | |
| C25 | C23 | sing | 1.53Å | 1.52Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C28 | sing | 1.53Å | 1.52Å | |
| C24 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | N10 | sing | 1.46Å | 1.48Å | |
| C33 | N10 | sing | 1.47Å | 1.45Å | |
| C32 | N6 | sing | 1.47Å | 1.46Å | |
| O3 | C20 | doub | 1.22Å | 1.22Å | |
| N10 | C17 | sing | 1.39Å | 1.36Å | |
| N6 | C20 | sing | 1.35Å | 1.37Å | |
| N6 | C11 | sing | 1.39Å | 1.39Å | |
| C20 | N7 | sing | 1.35Å | 1.38Å | |
| C11 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| N7 | C35 | sing | 1.46Å | 1.46Å | |
| N7 | C12 | sing | 1.39Å | 1.39Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C12 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C16 | sing | 1.33Å | 1.34Å | Aromatic |
| C30 | C36 | sing | 1.53Å | 1.52Å | |
| C4 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C7 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N9 | sing | 1.40Å | 1.41Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C16 | N9 | sing | 1.39Å | 1.36Å | |
| C16 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | O4 | sing | 1.43Å | 1.44Å | |
| C36 | C29 | sing | 1.53Å | 1.52Å | |
| C7 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | CL1 | sing | 1.74Å | 1.73Å | |
| 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 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | 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 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å | |
| N9 | H42 | sing | 0.97Å | 1.00Å | |
| O4 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C18 | C21 | 122.5° | 119.4° |
| O1 | C18 | N5 | 120.5° | 119.3° |
| C21 | C18 | N5 | 117.0° | 121.3° |
| C18 | C21 | C22 | 112.5° | 109.1° |
| C18 | C21 | H9 | 108.7° | 109.6° |
| C18 | C21 | H8 | 108.7° | 109.6° |
| C18 | N5 | C19 | 126.9° | 122.6° |
| C18 | N5 | H41 | 116.5° | 118.7° |
| C21 | C22 | C27 | 110.7° | 108.6° |
| C22 | C21 | H9 | 108.7° | 109.5° |
| C22 | C21 | H8 | 108.7° | 109.5° |
| C21 | C22 | H11 | 109.2° | 109.7° |
| C21 | C22 | H10 | 109.2° | 109.6° |
| N5 | C19 | O2 | 120.9° | 119.4° |
| N5 | C19 | C27 | 116.7° | 121.3° |
| C19 | N5 | H41 | 116.6° | 118.7° |
| O2 | C19 | C27 | 122.4° | 119.4° |
| C19 | C27 | C22 | 111.4° | 109.1° |
| C19 | C27 | C15 | 111.7° | 109.5° |
| C19 | C27 | H20 | 107.6° | 109.6° |
| C22 | C27 | C15 | 110.8° | 109.5° |
| C27 | C22 | H11 | 109.2° | 109.6° |
| C27 | C22 | H10 | 109.2° | 109.8° |
| C22 | C27 | H20 | 107.4° | 109.6° |
| C27 | C15 | N2 | 121.1° | 126.1° |
| C27 | C15 | C8 | 128.0° | 126.1° |
| C15 | C27 | H20 | 107.7° | 109.6° |
| N2 | C15 | C8 | 110.9° | 107.8° |
| C15 | N2 | N4 | 106.6° | 110.1° |
| C15 | C8 | C1 | 137.4° | 133.8° |
| C15 | C8 | C9 | 104.0° | 106.3° |
| N2 | N4 | C31 | 120.2° | 125.5° |
| N2 | N4 | C9 | 111.8° | 109.0° |
| C1 | C8 | C9 | 118.5° | 119.9° |
| C8 | C1 | C2 | 120.3° | 119.9° |
| C8 | C1 | H1 | 119.8° | 120.1° |
| C8 | C9 | N4 | 106.6° | 106.7° |
| C8 | C9 | C5 | 121.6° | 119.5° |
| C31 | N4 | C9 | 127.9° | 125.4° |
| N4 | C31 | H29 | 109.5° | 109.4° |
| N4 | C31 | H28 | 109.4° | 109.5° |
| N4 | C31 | H30 | 109.5° | 109.5° |
| N4 | C9 | C5 | 131.7° | 133.7° |
| C1 | C2 | C10 | 121.0° | 120.6° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H2 | 119.5° | 119.7° |
| C9 | C5 | C10 | 119.7° | 119.7° |
| C9 | C5 | H5 | 120.1° | 120.1° |
| C2 | C10 | C5 | 118.8° | 120.5° |
| C2 | C10 | N8 | 120.4° | 119.7° |
| C10 | C2 | H2 | 119.5° | 119.7° |
| C5 | C10 | N8 | 120.8° | 119.8° |
| C10 | C5 | H5 | 120.2° | 120.2° |
| C10 | N8 | C25 | 120.2° | 111.0° |
| C10 | N8 | C26 | 119.4° | 110.9° |
| C25 | N8 | C26 | 110.4° | 111.3° |
| N8 | C25 | C23 | 110.0° | 109.5° |
| N8 | C25 | H16 | 109.4° | 109.5° |
| N8 | C25 | H17 | 109.3° | 109.4° |
| N8 | C26 | C24 | 109.6° | 109.5° |
| N8 | C26 | H18 | 109.4° | 109.4° |
| N8 | C26 | H19 | 109.4° | 109.5° |
| C25 | C23 | C28 | 110.7° | 109.3° |
| C25 | C23 | H13 | 109.2° | 109.5° |
| C25 | C23 | H12 | 109.2° | 109.5° |
| C23 | C25 | H16 | 109.3° | 109.4° |
| C23 | C25 | H17 | 109.3° | 109.5° |
| C26 | C24 | C28 | 110.6° | 109.3° |
| C26 | C24 | H15 | 109.2° | 109.4° |
| C26 | C24 | H14 | 109.2° | 109.6° |
| C24 | C26 | H18 | 109.4° | 109.4° |
| C24 | C26 | H19 | 109.4° | 109.5° |
| C23 | C28 | C24 | 110.8° | 109.2° |
| C23 | C28 | N10 | 111.6° | 109.5° |
| C23 | C28 | H21 | 107.3° | 109.6° |
| C28 | C23 | H13 | 109.2° | 109.5° |
| C28 | C23 | H12 | 109.1° | 109.5° |
| C24 | C28 | N10 | 111.7° | 109.5° |
| C28 | C24 | H15 | 109.2° | 109.5° |
| C28 | C24 | H14 | 109.2° | 109.5° |
| C24 | C28 | H21 | 107.3° | 109.5° |
| C28 | N10 | C33 | 118.5° | 120.0° |
| C28 | N10 | C17 | 120.7° | 120.0° |
| N10 | C28 | H21 | 107.9° | 109.5° |
| C33 | N10 | C17 | 120.7° | 120.0° |
| N10 | C33 | H35 | 109.5° | 109.4° |
| N10 | C33 | H36 | 109.4° | 109.5° |
| N10 | C33 | H34 | 109.5° | 109.5° |
| C32 | N6 | C20 | 123.7° | 125.8° |
| C32 | N6 | C11 | 126.0° | 125.9° |
| N6 | C32 | H33 | 109.5° | 109.5° |
| N6 | C32 | H32 | 109.5° | 109.4° |
| N6 | C32 | H31 | 109.5° | 109.4° |
| O3 | C20 | N6 | 127.4° | 125.1° |
| O3 | C20 | N7 | 126.5° | 125.2° |
| N10 | C17 | N3 | 117.2° | 119.2° |
| N10 | C17 | N1 | 116.6° | 119.2° |
| C20 | N6 | C11 | 110.3° | 108.3° |
| N6 | C20 | N7 | 106.1° | 109.7° |
| N6 | C11 | C3 | 132.1° | 133.2° |
| N6 | C11 | C12 | 107.0° | 106.8° |
| C20 | N7 | C35 | 123.6° | 125.8° |
| C20 | N7 | C12 | 109.7° | 108.4° |
| C3 | C11 | C12 | 120.9° | 120.0° |
| C11 | C3 | C4 | 118.5° | 119.9° |
| C11 | C3 | H3 | 120.8° | 120.0° |
| C11 | C12 | N7 | 107.0° | 106.8° |
| C11 | C12 | C6 | 120.9° | 119.9° |
| C35 | N7 | C12 | 126.7° | 125.8° |
| N7 | C35 | C34 | 112.4° | 109.5° |
| N7 | C35 | H39 | 108.7° | 109.5° |
| N7 | C35 | H40 | 108.8° | 109.5° |
| N7 | C12 | C6 | 132.1° | 133.3° |
| C3 | C4 | C13 | 120.8° | 120.2° |
| C3 | C4 | H4 | 119.6° | 119.9° |
| C4 | C3 | H3 | 120.8° | 120.0° |
| N3 | C17 | N1 | 126.2° | 121.7° |
| C17 | N3 | C16 | 117.1° | 120.6° |
| C17 | N1 | C7 | 115.9° | 120.9° |
| C35 | C34 | C36 | 113.7° | 109.5° |
| C35 | C34 | H38 | 108.4° | 109.5° |
| C35 | C34 | H37 | 108.4° | 109.5° |
| C34 | C35 | H39 | 108.7° | 109.5° |
| C34 | C35 | H40 | 108.7° | 109.5° |
| C12 | C6 | C13 | 118.4° | 119.8° |
| C12 | C6 | H6 | 120.8° | 120.1° |
| N3 | C16 | N9 | 119.7° | 120.5° |
| N3 | C16 | C14 | 119.8° | 119.0° |
| C30 | C36 | C34 | 111.2° | 109.4° |
| C30 | C36 | O4 | 107.6° | 109.5° |
| C30 | C36 | C29 | 110.8° | 109.5° |
| C36 | C30 | H26 | 109.5° | 109.5° |
| C36 | C30 | H25 | 109.5° | 109.4° |
| C36 | C30 | H27 | 109.4° | 109.5° |
| C4 | C13 | C6 | 120.5° | 120.1° |
| C4 | C13 | N9 | 120.5° | 119.9° |
| C13 | C4 | H4 | 119.6° | 120.0° |
| N1 | C7 | C14 | 122.0° | 119.3° |
| N1 | C7 | H7 | 119.0° | 120.4° |
| C6 | C13 | N9 | 119.0° | 120.0° |
| C13 | C6 | H6 | 120.8° | 120.1° |
| C13 | N9 | C16 | 130.1° | 120.0° |
| C13 | N9 | H42 | 114.9° | 120.0° |
| C34 | C36 | O4 | 107.9° | 109.5° |
| C34 | C36 | C29 | 111.4° | 109.5° |
| C36 | C34 | H38 | 108.4° | 109.4° |
| C36 | C34 | H37 | 108.4° | 109.5° |
| N9 | C16 | C14 | 120.5° | 120.5° |
| C16 | N9 | H42 | 114.9° | 120.0° |
| C16 | C14 | C7 | 119.1° | 118.5° |
| C16 | C14 | CL1 | 120.5° | 120.8° |
| O4 | C36 | C29 | 107.7° | 109.5° |
| C36 | O4 | H43 | 109.5° | 114.0° |
| C36 | C29 | H23 | 109.5° | 109.4° |
| C36 | C29 | H24 | 109.5° | 109.5° |
| C36 | C29 | H22 | 109.5° | 109.4° |
| C7 | C14 | CL1 | 120.5° | 120.8° |
| C14 | C7 | H7 | 119.0° | 120.3° |
| H9 | C21 | H8 | 109.5° | 109.5° |
| H11 | C22 | H10 | 109.5° | 109.6° |
| H15 | C24 | H14 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H13 | C23 | H12 | 109.5° | 109.6° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.6° |
| H23 | C29 | H22 | 109.5° | 109.5° |
| H24 | C29 | H22 | 109.5° | 109.5° |
| H26 | C30 | H25 | 109.4° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H25 | C30 | H27 | 109.5° | 109.4° |
| H29 | C31 | H28 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.4° | 109.4° |
| H28 | C31 | H30 | 109.5° | 109.5° |
| H33 | C32 | H32 | 109.4° | 109.5° |
| H33 | C32 | H31 | 109.4° | 109.5° |
| H32 | C32 | H31 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.4° |
| H35 | C33 | H34 | 109.5° | 109.5° |
| H36 | C33 | H34 | 109.5° | 109.5° |
| H38 | C34 | H37 | 109.5° | 109.5° |
| H39 | C35 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C18 | C21 | N5 | 179.4° | 180.0° |
| O1 | C18 | C21 | C22 | 162.4° | 150.9° |
| O1 | C18 | N5 | C19 | 161.9° | 179.5° |
| O1 | C18 | C21 | H9 | 41.9° | 89.2° |
| O1 | C18 | C21 | H8 | 77.2° | 31.0° |
| O1 | C18 | N5 | H41 | 18.1° | 0.5° |
| C18 | C21 | C22 | H9 | 120.5° | 119.9° |
| C18 | C21 | C22 | H8 | 120.5° | 119.9° |
| C21 | C18 | N5 | C19 | 17.4° | 0.6° |
| C18 | C21 | C22 | C27 | 51.1° | 55.7° |
| C18 | C21 | H9 | H8 | 118.6° | 120.2° |
| C18 | C21 | C22 | H11 | 69.1° | 64.1° |
| C18 | C21 | C22 | H10 | 171.3° | 175.6° |
| C21 | C18 | N5 | H41 | 162.6° | 179.4° |
| N5 | C18 | C21 | C22 | 18.2° | 29.1° |
| C18 | N5 | C19 | H41 | 180.0° | 180.0° |
| C18 | N5 | C19 | O2 | 163.4° | 179.5° |
| C18 | N5 | C19 | C27 | 16.5° | 0.6° |
| N5 | C18 | C21 | H9 | 138.7° | 90.8° |
| N5 | C18 | C21 | H8 | 102.2° | 149.0° |
| C21 | C22 | C27 | C19 | 51.4° | 55.7° |
| C21 | C22 | C27 | H11 | 120.2° | 119.8° |
| C21 | C22 | C27 | H10 | 120.2° | 119.8° |
| C21 | C22 | C27 | C15 | 176.4° | 175.5° |
| C22 | C21 | H9 | H8 | 118.6° | 120.1° |
| C21 | C22 | H11 | H10 | 119.5° | 120.4° |
| C21 | C22 | C27 | H20 | 66.2° | 64.3° |
| N5 | C19 | O2 | C27 | 179.8° | 179.9° |
| N5 | C19 | C27 | C22 | 19.5° | 29.2° |
| N5 | C19 | C27 | C15 | 143.9° | 149.0° |
| N5 | C19 | C27 | H20 | 98.0° | 90.8° |
| O2 | C19 | C27 | C22 | 160.7° | 150.9° |
| O2 | C19 | C27 | C15 | 36.3° | 31.0° |
| O2 | C19 | C27 | H20 | 81.8° | 89.1° |
| O2 | C19 | N5 | H41 | 16.7° | 0.5° |
| C19 | C27 | C22 | C15 | 125.0° | 119.8° |
| C19 | C27 | C22 | H20 | 117.6° | 120.0° |
| C19 | C27 | C15 | H20 | 118.0° | 120.2° |
| C19 | C27 | C15 | N2 | 129.4° | 60.0° |
| C19 | C27 | C15 | C8 | 50.8° | 121.3° |
| C19 | C27 | C22 | H11 | 68.8° | 64.1° |
| C19 | C27 | C22 | H10 | 171.6° | 175.5° |
| C27 | C19 | N5 | H41 | 163.5° | 179.4° |
| C22 | C27 | C15 | H20 | 117.2° | 120.2° |
| C22 | C27 | C15 | N2 | 105.8° | 59.6° |
| C22 | C27 | C15 | C8 | 74.0° | 119.1° |
| C27 | C22 | C21 | H9 | 171.6° | 64.2° |
| C27 | C22 | C21 | H8 | 69.4° | 175.6° |
| C27 | C22 | H11 | H10 | 119.5° | 120.5° |
| C27 | C15 | N2 | C8 | 179.9° | 178.9° |
| C27 | C15 | N2 | N4 | 179.9° | 180.0° |
| C27 | C15 | C8 | C1 | 0.1° | 0.8° |
| C27 | C15 | C8 | C9 | 179.9° | 179.9° |
| C15 | C27 | C22 | H11 | 56.2° | 55.7° |
| C15 | C27 | C22 | H10 | 63.4° | 64.7° |
| N2 | C15 | C8 | C1 | 180.0° | 179.7° |
| N2 | C15 | C8 | C9 | 0.1° | 1.1° |
| C15 | N2 | N4 | C31 | 179.9° | 179.2° |
| C15 | N2 | N4 | C9 | 0.1° | 0.7° |
| N2 | C15 | C27 | H20 | 11.4° | 179.8° |
| C8 | C15 | N2 | N4 | 0.1° | 1.1° |
| C15 | C8 | C1 | C9 | 180.0° | 179.2° |
| C15 | C8 | C9 | N4 | 0.1° | 0.6° |
| C15 | C8 | C1 | C2 | 179.9° | 180.0° |
| C15 | C8 | C9 | C5 | 180.0° | 179.9° |
| C15 | C8 | C1 | H1 | 0.1° | 0.8° |
| C8 | C15 | C27 | H20 | 168.7° | 1.1° |
| N2 | N4 | C9 | C8 | 0.0° | 0.0° |
| N2 | N4 | C31 | C9 | 180.0° | 179.9° |
| N2 | N4 | C9 | C5 | 180.0° | 179.4° |
| N2 | N4 | C31 | H29 | 0.0° | 90.0° |
| N2 | N4 | C31 | H28 | 120.0° | 150.0° |
| N2 | N4 | C31 | H30 | 120.0° | 29.9° |
| C1 | C8 | C9 | N4 | 180.0° | 180.0° |
| C8 | C1 | C2 | H1 | 180.0° | 179.1° |
| C1 | C8 | C9 | C5 | 0.0° | 0.5° |
| C8 | C1 | C2 | C10 | 0.0° | 0.5° |
| C8 | C1 | C2 | H2 | 180.0° | 179.5° |
| C8 | C9 | N4 | C31 | 180.0° | 179.9° |
| C8 | C9 | N4 | C5 | 180.0° | 179.4° |
| C9 | C8 | C1 | C2 | 0.0° | 0.8° |
| C8 | C9 | C5 | C10 | 0.0° | 0.1° |
| C8 | C9 | C5 | H5 | 180.0° | 179.7° |
| C9 | C8 | C1 | H1 | 180.0° | 180.0° |
| C31 | N4 | C9 | C5 | 0.1° | 0.7° |
| N4 | C31 | H29 | H28 | 120.0° | 120.0° |
| N4 | C31 | H29 | H30 | 120.0° | 119.9° |
| N4 | C31 | H28 | H30 | 120.0° | 120.1° |
| N4 | C9 | C5 | C10 | 180.0° | 179.2° |
| N4 | C9 | C5 | H5 | 0.1° | 0.5° |
| C9 | N4 | C31 | H29 | 180.0° | 90.1° |
| C9 | N4 | C31 | H28 | 59.9° | 29.9° |
| C9 | N4 | C31 | H30 | 60.1° | 150.0° |
| C1 | C2 | C10 | H2 | 180.0° | 180.0° |
| C1 | C2 | C10 | C5 | 0.0° | 0.1° |
| C1 | C2 | C10 | N8 | 180.0° | 180.0° |
| C9 | C5 | C10 | C2 | 0.0° | 0.4° |
| C9 | C5 | C10 | H5 | 180.0° | 179.7° |
| C9 | C5 | C10 | N8 | 180.0° | 179.7° |
| C2 | C10 | C5 | N8 | 180.0° | 179.9° |
| C2 | C10 | N8 | C25 | 163.9° | 0.1° |
| C2 | C10 | N8 | C26 | 54.0° | 124.3° |
| C2 | C10 | C5 | H5 | 180.0° | 180.0° |
| C10 | C2 | C1 | H1 | 180.0° | 179.7° |
| C5 | C10 | N8 | C25 | 16.1° | 180.0° |
| C5 | C10 | N8 | C26 | 126.0° | 55.8° |
| C5 | C10 | C2 | H2 | 180.0° | 179.9° |
| C10 | N8 | C25 | C26 | 145.2° | 124.1° |
| C10 | N8 | C25 | C23 | 152.0° | 174.2° |
| C10 | N8 | C26 | C24 | 151.2° | 174.2° |
| N8 | C10 | C5 | H5 | 0.0° | 0.1° |
| C10 | N8 | C26 | H18 | 31.2° | 65.9° |
| C10 | N8 | C26 | H19 | 88.7° | 54.2° |
| N8 | C10 | C2 | H2 | 0.0° | 0.0° |
| C10 | N8 | C25 | H16 | 87.9° | 54.2° |
| C10 | N8 | C25 | H17 | 31.9° | 65.8° |
| N8 | C25 | C23 | H16 | 120.1° | 120.0° |
| N8 | C25 | C23 | H17 | 120.1° | 120.0° |
| C25 | N8 | C26 | C24 | 63.3° | 61.7° |
| N8 | C25 | C23 | C28 | 56.8° | 59.2° |
| C25 | N8 | C26 | H18 | 176.7° | 58.2° |
| C25 | N8 | C26 | H19 | 56.7° | 178.3° |
| N8 | C25 | C23 | H13 | 177.0° | 60.7° |
| N8 | C25 | C23 | H12 | 63.3° | 179.1° |
| N8 | C25 | H16 | H17 | 119.8° | 120.0° |
| C26 | N8 | C25 | C23 | 62.8° | 61.8° |
| N8 | C26 | C24 | H18 | 120.0° | 119.9° |
| N8 | C26 | C24 | H19 | 120.0° | 120.0° |
| N8 | C26 | C24 | C28 | 57.8° | 59.1° |
| N8 | C26 | C24 | H15 | 62.4° | 60.8° |
| N8 | C26 | C24 | H14 | 178.0° | 179.1° |
| N8 | C26 | H18 | H19 | 119.9° | 120.0° |
| C26 | N8 | C25 | H16 | 57.2° | 178.3° |
| C26 | N8 | C25 | H17 | 177.1° | 58.3° |
| C25 | C23 | C28 | H13 | 120.2° | 119.9° |
| C25 | C23 | C28 | H12 | 120.2° | 120.0° |
| C25 | C23 | C28 | C24 | 52.0° | 57.7° |
| C25 | C23 | C28 | N10 | 177.1° | 177.5° |
| C25 | C23 | C28 | H21 | 64.9° | 62.3° |
| C25 | C23 | H13 | H12 | 119.5° | 120.2° |
| C23 | C25 | H16 | H17 | 119.8° | 120.0° |
| C26 | C24 | C28 | C23 | 52.6° | 57.6° |
| C26 | C24 | C28 | H15 | 120.2° | 119.9° |
| C26 | C24 | C28 | H14 | 120.1° | 120.0° |
| C26 | C24 | C28 | N10 | 177.6° | 177.5° |
| C26 | C24 | H15 | H14 | 119.4° | 120.1° |
| C24 | C26 | H18 | H19 | 119.9° | 120.0° |
| C26 | C24 | C28 | H21 | 64.3° | 62.3° |
| C23 | C28 | C24 | N10 | 125.0° | 119.9° |
| C23 | C28 | C24 | H21 | 116.9° | 120.0° |
| C23 | C28 | N10 | H21 | 117.7° | 120.2° |
| C23 | C28 | N10 | C33 | 80.8° | 59.6° |
| C23 | C28 | N10 | C17 | 98.2° | 120.3° |
| C23 | C28 | C24 | H15 | 67.6° | 62.2° |
| C23 | C28 | C24 | H14 | 172.7° | 177.7° |
| C28 | C23 | H13 | H12 | 119.4° | 120.1° |
| C28 | C23 | C25 | H16 | 63.3° | 179.2° |
| C28 | C23 | C25 | H17 | 176.9° | 60.8° |
| C24 | C28 | N10 | H21 | 117.7° | 120.1° |
| C24 | C28 | N10 | C33 | 43.8° | 60.1° |
| C24 | C28 | N10 | C17 | 137.2° | 120.0° |
| C28 | C24 | H15 | H14 | 119.5° | 120.1° |
| C28 | C24 | C26 | H18 | 177.9° | 60.8° |
| C28 | C24 | C26 | H19 | 62.2° | 179.1° |
| C24 | C28 | C23 | H13 | 172.2° | 62.3° |
| C24 | C28 | C23 | H12 | 68.2° | 177.6° |
| C28 | N10 | C33 | C17 | 179.0° | 179.9° |
| C28 | N10 | C17 | N3 | 2.1° | 180.0° |
| C28 | N10 | C17 | N1 | 178.0° | 0.1° |
| N10 | C28 | C24 | H15 | 57.4° | 57.7° |
| N10 | C28 | C24 | H14 | 62.3° | 62.4° |
| N10 | C28 | C23 | H13 | 62.7° | 57.6° |
| N10 | C28 | C23 | H12 | 56.9° | 62.5° |
| C28 | N10 | C33 | H35 | 180.0° | 90.1° |
| C28 | N10 | C33 | H36 | 60.0° | 150.0° |
| C28 | N10 | C33 | H34 | 60.0° | 29.9° |
| C33 | N10 | C17 | N3 | 176.9° | 0.1° |
| C33 | N10 | C17 | N1 | 3.0° | 180.0° |
| C33 | N10 | C28 | H21 | 161.5° | 179.8° |
| N10 | C33 | H35 | H36 | 120.0° | 119.9° |
| N10 | C33 | H35 | H34 | 120.0° | 120.0° |
| N10 | C33 | H36 | H34 | 120.0° | 120.1° |
| C32 | N6 | C20 | O3 | 0.1° | 0.4° |
| C32 | N6 | C20 | C11 | 179.9° | 179.9° |
| C32 | N6 | C20 | N7 | 180.0° | 179.6° |
| C32 | N6 | C11 | C3 | 0.1° | 0.0° |
| C32 | N6 | C11 | C12 | 180.0° | 179.5° |
| N6 | C32 | H33 | H32 | 120.0° | 120.0° |
| N6 | C32 | H33 | H31 | 120.0° | 120.0° |
| N6 | C32 | H32 | H31 | 120.0° | 120.0° |
| O3 | C20 | N6 | N7 | 179.9° | 180.0° |
| O3 | C20 | N6 | C11 | 180.0° | 179.6° |
| O3 | C20 | N7 | C35 | 0.0° | 0.0° |
| O3 | C20 | N7 | C12 | 180.0° | 179.9° |
| N10 | C17 | N3 | N1 | 179.8° | 179.9° |
| N10 | C17 | N3 | C16 | 179.9° | 180.0° |
| N10 | C17 | N1 | C7 | 179.9° | 180.0° |
| C17 | N10 | C28 | H21 | 19.5° | 0.1° |
| C17 | N10 | C33 | H35 | 1.0° | 90.0° |
| C17 | N10 | C33 | H36 | 119.0° | 29.9° |
| C17 | N10 | C33 | H34 | 121.0° | 150.0° |
| C20 | N6 | C11 | C3 | 180.0° | 180.0° |
| C20 | N6 | C11 | C12 | 0.0° | 0.5° |
| N6 | C20 | N7 | C35 | 179.9° | 180.0° |
| N6 | C20 | N7 | C12 | 0.0° | 0.1° |
| C20 | N6 | C32 | H33 | 180.0° | 0.0° |
| C20 | N6 | C32 | H32 | 60.0° | 120.0° |
| C20 | N6 | C32 | H31 | 60.0° | 120.0° |
| C11 | N6 | C20 | N7 | 0.0° | 0.3° |
| N6 | C11 | C3 | C12 | 179.9° | 179.5° |
| N6 | C11 | C12 | N7 | 0.0° | 0.4° |
| N6 | C11 | C3 | C4 | 180.0° | 179.9° |
| N6 | C11 | C12 | C6 | 179.9° | 179.6° |
| N6 | C11 | C3 | H3 | 0.0° | 0.0° |
| C11 | N6 | C32 | H33 | 0.1° | 180.0° |
| C11 | N6 | C32 | H32 | 120.1° | 60.0° |
| C11 | N6 | C32 | H31 | 119.9° | 60.0° |
| C20 | N7 | C12 | C11 | 0.0° | 0.2° |
| C20 | N7 | C35 | C12 | 179.9° | 179.9° |
| C20 | N7 | C35 | C34 | 79.5° | 90.1° |
| C20 | N7 | C12 | C6 | 180.0° | 179.3° |
| C20 | N7 | C35 | H39 | 40.9° | 30.0° |
| C20 | N7 | C35 | H40 | 160.1° | 150.0° |
| C3 | C11 | C12 | N7 | 180.0° | 180.0° |
| C11 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C11 | C12 | C6 | 0.0° | 0.8° |
| C11 | C3 | C4 | C13 | 0.1° | 0.1° |
| C11 | C3 | C4 | H4 | 179.9° | 179.7° |
| C11 | C12 | N7 | C35 | 180.0° | 179.7° |
| C11 | C12 | N7 | C6 | 180.0° | 179.1° |
| C12 | C11 | C3 | C4 | 0.1° | 0.5° |
| C11 | C12 | C6 | C13 | 0.0° | 0.6° |
| C11 | C12 | C6 | H6 | 179.9° | 179.6° |
| C12 | C11 | C3 | H3 | 179.9° | 179.5° |
| N7 | C35 | C34 | H39 | 120.4° | 120.0° |
| N7 | C35 | C34 | H40 | 120.4° | 120.0° |
| C35 | N7 | C12 | C6 | 0.0° | 0.6° |
| N7 | C35 | C34 | C36 | 177.0° | 180.0° |
| N7 | C35 | C34 | H38 | 56.4° | 60.0° |
| N7 | C35 | C34 | H37 | 62.4° | 60.0° |
| N7 | C35 | H39 | H40 | 118.7° | 120.0° |
| C12 | N7 | C35 | C34 | 100.6° | 90.1° |
| N7 | C12 | C6 | C13 | 180.0° | 179.5° |
| N7 | C12 | C6 | H6 | 0.0° | 0.6° |
| C12 | N7 | C35 | H39 | 139.0° | 149.9° |
| C12 | N7 | C35 | H40 | 19.9° | 29.9° |
| C3 | C4 | C13 | H4 | 180.0° | 179.6° |
| C3 | C4 | C13 | C6 | 0.0° | 0.3° |
| C3 | C4 | C13 | N9 | 180.0° | 179.7° |
| N3 | C17 | N1 | C7 | 0.1° | 0.0° |
| C17 | N3 | C16 | N9 | 179.9° | 179.9° |
| C17 | N3 | C16 | C14 | 0.0° | 0.0° |
| N1 | C17 | N3 | C16 | 0.1° | 0.0° |
| C17 | N1 | C7 | C14 | 0.0° | 0.0° |
| C17 | N1 | C7 | H7 | 180.0° | 180.0° |
| C35 | C34 | C36 | C30 | 58.3° | 55.0° |
| C35 | C34 | C36 | H38 | 120.6° | 120.0° |
| C35 | C34 | C36 | H37 | 120.6° | 120.1° |
| C35 | C34 | C36 | O4 | 59.5° | 64.9° |
| C35 | C34 | C36 | C29 | 177.5° | 175.0° |
| C35 | C34 | H38 | H37 | 118.1° | 120.0° |
| C34 | C35 | H39 | H40 | 118.7° | 120.0° |
| C12 | C6 | C13 | C4 | 0.0° | 0.0° |
| C12 | C6 | C13 | H6 | 180.0° | 179.9° |
| C12 | C6 | C13 | N9 | 179.9° | 179.9° |
| N3 | C16 | N9 | C13 | 5.2° | 5.6° |
| N3 | C16 | N9 | C14 | 179.9° | 179.9° |
| N3 | C16 | C14 | C7 | 0.1° | 0.0° |
| N3 | C16 | C14 | CL1 | 180.0° | 180.0° |
| N3 | C16 | N9 | H42 | 174.9° | 174.4° |
| C30 | C36 | C34 | O4 | 117.8° | 120.0° |
| C30 | C36 | C34 | C29 | 124.2° | 120.0° |
| C30 | C36 | O4 | C29 | 119.6° | 120.1° |
| C30 | C36 | C29 | H23 | 180.0° | 60.0° |
| C30 | C36 | C29 | H24 | 60.0° | 180.0° |
| C30 | C36 | C29 | H22 | 60.0° | 60.0° |
| C36 | C30 | H26 | H25 | 120.0° | 120.0° |
| C36 | C30 | H26 | H27 | 120.0° | 120.0° |
| C36 | C30 | H25 | H27 | 120.0° | 120.0° |
| C30 | C36 | C34 | H38 | 178.9° | 175.0° |
| C30 | C36 | C34 | H37 | 62.3° | 65.0° |
| C30 | C36 | O4 | H43 | 180.0° | 60.1° |
| C4 | C13 | C6 | N9 | 179.9° | 180.0° |
| C4 | C13 | N9 | C16 | 66.8° | 33.2° |
| C4 | C13 | C6 | H6 | 180.0° | 179.9° |
| C13 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C13 | N9 | H42 | 113.3° | 146.9° |
| N1 | C7 | C14 | C16 | 0.0° | 0.0° |
| N1 | C7 | C14 | H7 | 180.0° | 180.0° |
| N1 | C7 | C14 | CL1 | 180.0° | 180.0° |
| C6 | C13 | N9 | C16 | 113.3° | 146.9° |
| C6 | C13 | C4 | H4 | 180.0° | 179.9° |
| C6 | C13 | N9 | H42 | 66.7° | 33.1° |
| C13 | N9 | C16 | H42 | 180.0° | 180.0° |
| C13 | N9 | C16 | C14 | 174.9° | 174.5° |
| N9 | C13 | C4 | H4 | 0.0° | 0.1° |
| N9 | C13 | C6 | H6 | 0.1° | 0.1° |
| C34 | C36 | O4 | C29 | 120.4° | 120.0° |
| C34 | C36 | C29 | H23 | 55.6° | 179.9° |
| C34 | C36 | C29 | H24 | 64.4° | 60.0° |
| C34 | C36 | C29 | H22 | 175.7° | 60.0° |
| C34 | C36 | C30 | H26 | 180.0° | 60.0° |
| C34 | C36 | C30 | H25 | 60.0° | 180.0° |
| C34 | C36 | C30 | H27 | 60.0° | 60.0° |
| C36 | C34 | H38 | H37 | 118.0° | 120.0° |
| C36 | C34 | C35 | H39 | 62.6° | 60.0° |
| C36 | C34 | C35 | H40 | 56.5° | 60.0° |
| C34 | C36 | O4 | H43 | 59.9° | 180.0° |
| N9 | C16 | C14 | C7 | 180.0° | 180.0° |
| N9 | C16 | C14 | CL1 | 0.0° | 0.0° |
| C16 | C14 | C7 | CL1 | 180.0° | 180.0° |
| C16 | C14 | C7 | H7 | 179.9° | 180.0° |
| C14 | C16 | N9 | H42 | 5.1° | 5.6° |
| O4 | C36 | C29 | H23 | 62.5° | 60.1° |
| O4 | C36 | C29 | H24 | 177.5° | 60.0° |
| O4 | C36 | C29 | H22 | 57.5° | 180.0° |
| O4 | C36 | C30 | H26 | 62.0° | 60.0° |
| O4 | C36 | C30 | H25 | 178.0° | 60.1° |
| O4 | C36 | C30 | H27 | 58.0° | 180.0° |
| O4 | C36 | C34 | H38 | 61.2° | 55.0° |
| O4 | C36 | C34 | H37 | 179.9° | 175.0° |
| C36 | C29 | H23 | H24 | 120.0° | 120.0° |
| C36 | C29 | H23 | H22 | 120.0° | 119.9° |
| C36 | C29 | H24 | H22 | 120.0° | 120.0° |
| C29 | C36 | C30 | H26 | 55.5° | 180.0° |
| C29 | C36 | C30 | H25 | 64.4° | 60.0° |
| C29 | C36 | C30 | H27 | 175.5° | 60.0° |
| C29 | C36 | C34 | H38 | 56.9° | 65.0° |
| C29 | C36 | C34 | H37 | 61.8° | 55.0° |
| C29 | C36 | O4 | H43 | 60.4° | 60.0° |
| CL1 | C14 | C7 | H7 | 0.0° | 0.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.4° |
| H9 | C21 | C22 | H11 | 51.4° | 176.0° |
| H9 | C21 | C22 | H10 | 68.3° | 55.6° |
| H8 | C21 | C22 | H11 | 170.5° | 55.9° |
| H8 | C21 | C22 | H10 | 50.8° | 64.5° |
| H11 | C22 | C27 | H20 | 173.6° | 176.0° |
| H10 | C22 | C27 | H20 | 54.0° | 55.5° |
| H15 | C24 | C26 | H18 | 57.7° | 179.3° |
| H15 | C24 | C26 | H19 | 177.6° | 59.2° |
| H15 | C24 | C28 | H21 | 175.5° | 177.8° |
| H14 | C24 | C26 | H18 | 62.0° | 59.2° |
| H14 | C24 | C26 | H19 | 58.0° | 60.8° |
| H14 | C24 | C28 | H21 | 55.8° | 57.7° |
| H21 | C28 | C23 | H13 | 55.3° | 177.8° |
| H21 | C28 | C23 | H12 | 174.9° | 57.7° |
| H1 | C1 | C2 | H2 | 0.0° | 0.3° |
| H13 | C23 | C25 | H16 | 56.9° | 59.3° |
| H13 | C23 | C25 | H17 | 62.9° | 179.3° |
| H12 | C23 | C25 | H16 | 176.6° | 60.9° |
| H12 | C23 | C25 | H17 | 56.7° | 59.1° |
| H23 | C29 | H24 | H22 | 120.0° | 120.0° |
| H26 | C30 | H25 | H27 | 120.0° | 120.0° |
| H29 | C31 | H28 | H30 | 120.0° | 120.0° |
| H33 | C32 | H32 | H31 | 119.9° | 120.0° |
| H35 | C33 | H36 | H34 | 120.0° | 120.0° |
| H38 | C34 | C35 | H39 | 176.8° | 60.0° |
| H38 | C34 | C35 | H40 | 64.1° | 180.0° |
| H37 | C34 | C35 | H39 | 58.0° | NaN° |
| H37 | C34 | C35 | H40 | 177.2° | 60.0° |
