A1C6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.55Å | 1.52Å | |
| C9 | N2 | sing | 1.48Å | 1.47Å | |
| C10 | N2 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.55Å | 1.52Å | |
| N2 | C6 | sing | 1.48Å | 1.47Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O | sing | 1.43Å | 1.42Å | |
| O | C4 | sing | 1.35Å | 1.37Å | |
| C4 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C11 | sing | 1.34Å | 1.35Å | Aromatic |
| F | C25 | sing | 1.35Å | 1.34Å | |
| N1 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | C25 | doub | 1.40Å | 1.48Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.48Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C25 | C15 | sing | 1.39Å | 1.47Å | Aromatic |
| C3 | C12 | sing | 1.42Å | 1.49Å | Aromatic |
| C3 | N | sing | 1.38Å | 1.41Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | N6 | sing | 1.47Å | 1.47Å | |
| C2 | N | sing | 1.47Å | 1.45Å | |
| N | C26 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C15 | C14 | doub | 1.40Å | 1.48Å | Aromatic |
| C23 | N4 | sing | 1.47Å | 1.49Å | |
| C16 | C21 | doub | 1.40Å | 1.47Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.48Å | Aromatic |
| C24 | C17 | sing | 1.51Å | 1.50Å | |
| N4 | C21 | sing | 1.37Å | 1.34Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.46Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N5 | C22 | doub | 1.30Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.39Å | Aromatic |
| N6 | C27 | sing | 1.47Å | 1.45Å | |
| N6 | C28 | sing | 1.35Å | 1.34Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.46Å | 1.43Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.40Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.79Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C26 | C31 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | O1 | doub | 1.21Å | 1.23Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | N2 | 107.4° | 103.2° |
| C9 | C8 | C7 | 106.2° | 102.9° |
| C9 | C8 | H1 | 110.3° | 110.7° |
| C9 | C8 | H2 | 110.3° | 110.9° |
| C8 | C9 | H39 | 110.0° | 110.6° |
| C8 | C9 | H40 | 110.0° | 110.6° |
| C9 | N2 | C10 | 109.3° | 111.0° |
| C9 | N2 | C6 | 109.1° | 105.8° |
| N2 | C9 | H39 | 110.0° | 110.7° |
| N2 | C9 | H40 | 110.0° | 110.7° |
| C10 | N2 | C6 | 109.6° | 111.0° |
| N2 | C10 | H15 | 109.5° | 109.5° |
| N2 | C10 | H16 | 109.5° | 109.5° |
| N2 | C10 | H17 | 109.4° | 109.5° |
| C8 | C7 | C6 | 106.2° | 105.2° |
| C7 | C8 | H1 | 110.3° | 110.7° |
| C7 | C8 | H2 | 110.3° | 110.7° |
| C8 | C7 | H4 | 110.3° | 110.3° |
| C8 | C7 | H5 | 110.3° | 110.3° |
| N2 | C6 | C7 | 108.2° | 107.1° |
| N2 | C6 | C5 | 111.2° | 109.9° |
| N2 | C6 | H6 | 109.7° | 109.9° |
| C7 | C6 | C5 | 109.8° | 109.9° |
| C6 | C7 | H4 | 110.3° | 110.3° |
| C6 | C7 | H5 | 110.3° | 110.3° |
| C7 | C6 | H6 | 109.0° | 109.9° |
| C6 | C5 | O | 108.7° | 109.5° |
| C5 | C6 | H6 | 108.9° | 110.0° |
| C6 | C5 | H7 | 109.7° | 109.5° |
| C6 | C5 | H8 | 109.6° | 109.5° |
| C5 | O | C4 | 122.1° | 117.1° |
| O | C5 | H7 | 109.7° | 109.4° |
| O | C5 | H8 | 109.7° | 109.5° |
| O | C4 | N3 | 118.3° | 118.6° |
| O | C4 | N1 | 120.2° | 118.7° |
| N3 | C4 | N1 | 121.5° | 122.8° |
| C4 | N3 | C11 | 121.8° | 120.4° |
| C4 | N1 | C3 | 123.2° | 121.5° |
| N3 | C11 | C25 | 121.0° | 121.8° |
| N3 | C11 | C12 | 120.2° | 118.8° |
| F | C25 | C11 | 121.4° | 120.3° |
| F | C25 | C15 | 120.6° | 120.3° |
| N1 | C3 | C12 | 118.0° | 118.4° |
| N1 | C3 | N | 118.4° | 120.8° |
| C25 | C11 | C12 | 118.8° | 119.4° |
| C11 | C25 | C15 | 118.0° | 119.4° |
| C11 | C12 | C3 | 115.3° | 118.1° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C | C1 | C2 | 111.8° | 109.6° |
| C | C1 | N6 | 109.3° | 109.6° |
| C | C1 | H9 | 108.9° | 109.7° |
| C1 | C | H12 | 109.5° | 109.4° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C25 | C15 | C16 | 120.5° | 119.7° |
| C25 | C15 | C14 | 119.9° | 120.5° |
| C12 | C3 | N | 123.5° | 120.8° |
| C3 | C12 | C13 | 124.1° | 121.8° |
| C3 | N | C2 | 125.3° | 111.0° |
| C3 | N | C26 | 121.3° | 111.0° |
| C12 | C13 | C14 | 122.9° | 119.9° |
| C12 | C13 | H18 | 118.5° | 120.1° |
| C2 | C1 | N6 | 108.5° | 108.6° |
| C1 | C2 | N | 106.1° | 109.3° |
| C2 | C1 | H9 | 108.7° | 109.6° |
| C1 | C2 | H10 | 110.3° | 109.5° |
| C1 | C2 | H11 | 110.3° | 109.5° |
| C1 | N6 | C27 | 113.2° | 118.2° |
| C1 | N6 | C28 | 124.1° | 120.9° |
| N6 | C1 | H9 | 109.7° | 109.6° |
| C2 | N | C26 | 113.2° | 111.3° |
| N | C2 | H10 | 110.3° | 109.5° |
| N | C2 | H11 | 110.3° | 109.5° |
| N | C26 | C27 | 103.6° | 109.4° |
| N | C26 | C31 | 111.5° | 109.5° |
| N | C26 | H28 | 109.7° | 109.5° |
| C16 | C15 | C14 | 119.6° | 119.7° |
| C15 | C16 | C21 | 120.7° | 120.2° |
| C15 | C16 | C17 | 123.6° | 120.3° |
| C15 | C14 | C13 | 119.8° | 120.8° |
| C15 | C14 | CL | 119.3° | 119.6° |
| C23 | N4 | C21 | 134.6° | 125.5° |
| C23 | N4 | N5 | 115.1° | 125.4° |
| N4 | C23 | H22 | 109.5° | 109.4° |
| N4 | C23 | H23 | 109.5° | 109.5° |
| N4 | C23 | H24 | 109.4° | 109.5° |
| C21 | C16 | C17 | 115.7° | 119.5° |
| C16 | C21 | N4 | 133.0° | 133.8° |
| C16 | C21 | C20 | 121.5° | 119.3° |
| C16 | C17 | C24 | 119.9° | 119.8° |
| C16 | C17 | C18 | 119.7° | 120.5° |
| C24 | C17 | C18 | 120.4° | 119.7° |
| C17 | C24 | H25 | 109.5° | 109.5° |
| C17 | C24 | H26 | 109.5° | 109.5° |
| C17 | C24 | H27 | 109.5° | 109.4° |
| C21 | N4 | N5 | 110.3° | 109.1° |
| N4 | C21 | C20 | 105.5° | 106.8° |
| N4 | N5 | C22 | 110.1° | 110.0° |
| C21 | C20 | C22 | 109.2° | 106.3° |
| C21 | C20 | C19 | 119.4° | 119.8° |
| C17 | C18 | C19 | 123.4° | 120.8° |
| C17 | C18 | H19 | 118.3° | 119.6° |
| N5 | C22 | C20 | 104.8° | 107.8° |
| N5 | C22 | H21 | 127.6° | 126.1° |
| C13 | C14 | CL | 120.8° | 119.6° |
| C14 | C13 | H18 | 118.6° | 120.0° |
| C27 | N6 | C28 | 122.7° | 120.9° |
| N6 | C27 | C26 | 106.4° | 108.5° |
| N6 | C27 | H29 | 110.2° | 109.7° |
| N6 | C27 | H30 | 110.2° | 109.7° |
| N6 | C28 | C29 | 118.3° | 120.0° |
| N6 | C28 | O1 | 121.6° | 120.0° |
| C27 | C26 | C31 | 114.2° | 109.5° |
| C27 | C26 | H28 | 108.9° | 109.5° |
| C26 | C27 | H29 | 110.3° | 109.7° |
| C26 | C27 | H30 | 110.3° | 109.6° |
| C22 | C20 | C19 | 131.4° | 133.9° |
| C20 | C22 | H21 | 127.6° | 126.1° |
| C20 | C19 | C18 | 120.4° | 120.1° |
| C20 | C19 | H20 | 119.8° | 119.9° |
| C19 | C18 | H19 | 118.3° | 119.6° |
| C18 | C19 | H20 | 119.8° | 120.0° |
| C30 | C29 | C28 | 110.0° | 109.5° |
| C30 | C29 | H31 | 109.3° | 109.5° |
| C30 | C29 | H32 | 109.3° | 109.5° |
| C29 | C30 | H33 | 109.5° | 109.5° |
| C29 | C30 | H34 | 109.4° | 109.5° |
| C29 | C30 | H35 | 109.4° | 109.5° |
| C31 | C26 | H28 | 108.9° | 109.5° |
| C26 | C31 | H36 | 109.5° | 109.5° |
| C26 | C31 | H37 | 109.5° | 109.5° |
| C26 | C31 | H38 | 109.4° | 109.5° |
| C29 | C28 | O1 | 120.1° | 120.0° |
| C28 | C29 | H31 | 109.3° | 109.5° |
| C28 | C29 | H32 | 109.3° | 109.4° |
| H1 | C8 | H2 | 109.5° | 110.6° |
| H4 | C7 | H5 | 109.5° | 110.3° |
| H7 | C5 | H8 | 109.4° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H15 | C10 | H17 | 109.4° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H24 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H27 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.5° | 109.6° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.4° |
| H33 | C30 | H35 | 109.4° | 109.4° |
| H34 | C30 | H35 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.4° |
| H36 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.4° |
| H39 | C9 | H40 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | N2 | H39 | 119.7° | 118.4° |
| C8 | C9 | N2 | H40 | 119.7° | 118.4° |
| C8 | C9 | N2 | C10 | 132.6° | 159.7° |
| C9 | C8 | C7 | H1 | 119.5° | 118.4° |
| C9 | C8 | C7 | H2 | 119.5° | 118.5° |
| C8 | C9 | N2 | C6 | 12.8° | 39.2° |
| C9 | C8 | C7 | C6 | 15.4° | 21.9° |
| C9 | C8 | H1 | H2 | 121.5° | 123.4° |
| C9 | C8 | C7 | H4 | 104.1° | 97.0° |
| C9 | C8 | C7 | H5 | 134.9° | 140.9° |
| C8 | C9 | H39 | H40 | 120.9° | 123.0° |
| C9 | N2 | C10 | C6 | 119.5° | 117.4° |
| N2 | C9 | C8 | C7 | 17.5° | 37.4° |
| C9 | N2 | C6 | C7 | 3.0° | 25.3° |
| C9 | N2 | C6 | C5 | 123.7° | 144.7° |
| N2 | C9 | C8 | H1 | 136.9° | 81.0° |
| N2 | C9 | C8 | H2 | 102.0° | 155.8° |
| C9 | N2 | C6 | H6 | 115.8° | 94.1° |
| C9 | N2 | C10 | H15 | 180.0° | 177.4° |
| C9 | N2 | C10 | H16 | 60.0° | 62.6° |
| C9 | N2 | C10 | H17 | 60.0° | 57.4° |
| N2 | C9 | H39 | H40 | 121.0° | 123.1° |
| C10 | N2 | C6 | C7 | 122.6° | 145.9° |
| C10 | N2 | C6 | C5 | 116.7° | 94.8° |
| C10 | N2 | C6 | H6 | 3.8° | 26.5° |
| N2 | C10 | H15 | H16 | 120.0° | 120.0° |
| N2 | C10 | H15 | H17 | 120.0° | 120.0° |
| N2 | C10 | H16 | H17 | 120.0° | 120.0° |
| C10 | N2 | C9 | H39 | 107.7° | 81.9° |
| C10 | N2 | C9 | H40 | 12.9° | 41.3° |
| C8 | C7 | C6 | N2 | 7.9° | 1.2° |
| C8 | C7 | C6 | H4 | 119.5° | 118.9° |
| C8 | C7 | C6 | H5 | 119.5° | 118.9° |
| C8 | C7 | C6 | C5 | 113.6° | 120.6° |
| C7 | C8 | H1 | H2 | 121.5° | 123.2° |
| C8 | C7 | H4 | H5 | 121.6° | 122.1° |
| C8 | C7 | C6 | H6 | 127.1° | 118.2° |
| C7 | C8 | C9 | H39 | 137.1° | 155.9° |
| C7 | C8 | C9 | H40 | 102.2° | 81.1° |
| N2 | C6 | C7 | C5 | 121.5° | 119.4° |
| N2 | C6 | C7 | H6 | 119.2° | 119.4° |
| N2 | C6 | C5 | H6 | 121.0° | 121.2° |
| N2 | C6 | C5 | O | 92.3° | 66.4° |
| N2 | C6 | C7 | H4 | 111.6° | 120.1° |
| N2 | C6 | C7 | H5 | 127.4° | 117.7° |
| N2 | C6 | C5 | H7 | 27.6° | 53.5° |
| N2 | C6 | C5 | H8 | 147.7° | 173.5° |
| C6 | N2 | C10 | H15 | 60.5° | 60.0° |
| C6 | N2 | C10 | H16 | 179.5° | 180.0° |
| C6 | N2 | C10 | H17 | 59.5° | 60.0° |
| C6 | N2 | C9 | H39 | 132.5° | 157.6° |
| C6 | N2 | C9 | H40 | 106.9° | 79.2° |
| C7 | C6 | C5 | H6 | 119.3° | 121.2° |
| C7 | C6 | C5 | O | 27.3° | 176.0° |
| C6 | C7 | C8 | H1 | 134.9° | 96.4° |
| C6 | C7 | C8 | H2 | 104.1° | 140.5° |
| C6 | C7 | H4 | H5 | 121.5° | 122.1° |
| C7 | C6 | C5 | H7 | 147.2° | 64.1° |
| C7 | C6 | C5 | H8 | 92.6° | 56.0° |
| C6 | C5 | O | H7 | 119.9° | 120.0° |
| C6 | C5 | O | H8 | 119.9° | 120.1° |
| C6 | C5 | O | C4 | 150.6° | 180.0° |
| C5 | C6 | C7 | H4 | 126.9° | 120.5° |
| C5 | C6 | C7 | H5 | 5.9° | 1.6° |
| C6 | C5 | H7 | H8 | 120.3° | 120.1° |
| C5 | O | C4 | N3 | 163.9° | 0.1° |
| C5 | O | C4 | N1 | 16.6° | 180.0° |
| O | C5 | C6 | H6 | 146.7° | 54.8° |
| O | C5 | H7 | H8 | 120.4° | 120.0° |
| O | C4 | N3 | N1 | 179.5° | 179.9° |
| O | C4 | N3 | C11 | 179.9° | 180.0° |
| O | C4 | N1 | C3 | 179.4° | 180.0° |
| C4 | O | C5 | H7 | 89.5° | 60.0° |
| C4 | O | C5 | H8 | 30.7° | 59.9° |
| N3 | C4 | N1 | C3 | 0.0° | 0.0° |
| C4 | N3 | C11 | C25 | 179.8° | 179.9° |
| C4 | N3 | C11 | C12 | 0.7° | 0.0° |
| N1 | C4 | N3 | C11 | 0.7° | 0.0° |
| C4 | N1 | C3 | C12 | 0.7° | 0.0° |
| C4 | N1 | C3 | N | 177.9° | 180.0° |
| N3 | C11 | C25 | F | 0.8° | 0.0° |
| N3 | C11 | C25 | C12 | 179.6° | 180.0° |
| N3 | C11 | C25 | C15 | 179.5° | 179.9° |
| N3 | C11 | C12 | C3 | 0.1° | 0.0° |
| N3 | C11 | C12 | C13 | 179.4° | 180.0° |
| F | C25 | C11 | C15 | 179.7° | 180.0° |
| F | C25 | C11 | C12 | 179.6° | 180.0° |
| F | C25 | C15 | C16 | 1.1° | 0.0° |
| F | C25 | C15 | C14 | 179.6° | 180.0° |
| N1 | C3 | C12 | C11 | 0.6° | 0.0° |
| N1 | C3 | C12 | N | 177.1° | 180.0° |
| N1 | C3 | C12 | C13 | 179.9° | 180.0° |
| N1 | C3 | N | C2 | 42.4° | 55.7° |
| N1 | C3 | N | C26 | 131.7° | 68.6° |
| C25 | C11 | C12 | C3 | 179.6° | 180.0° |
| C25 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C25 | C15 | C16 | 179.3° | 180.0° |
| C11 | C25 | C15 | C14 | 0.1° | 0.0° |
| C12 | C11 | C25 | C15 | 0.1° | 0.0° |
| C11 | C12 | C3 | C13 | 179.5° | 180.0° |
| C11 | C12 | C3 | N | 177.7° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H18 | 179.8° | 180.0° |
| C | C1 | C2 | N6 | 120.5° | 119.7° |
| C | C1 | C2 | H9 | 120.2° | 120.5° |
| C | C1 | N6 | H9 | 119.3° | 120.5° |
| C | C1 | C2 | N | 66.8° | 173.6° |
| C | C1 | N6 | C27 | 63.8° | 170.9° |
| C | C1 | N6 | C28 | 115.1° | 9.1° |
| C | C1 | C2 | H10 | 52.7° | 53.6° |
| C | C1 | C2 | H11 | 173.8° | 66.5° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C25 | C15 | C16 | C14 | 179.4° | 180.0° |
| C25 | C15 | C16 | C21 | 95.9° | 90.1° |
| C25 | C15 | C16 | C17 | 84.1° | 90.2° |
| C25 | C15 | C14 | C13 | 0.2° | 0.0° |
| C25 | C15 | C14 | CL | 179.9° | 179.9° |
| C12 | C3 | N | C2 | 140.5° | 124.3° |
| C12 | C3 | N | C26 | 45.5° | 111.4° |
| C3 | C12 | C13 | C14 | 179.7° | 179.9° |
| C3 | C12 | C13 | H18 | 0.3° | 0.0° |
| N | C3 | C12 | C13 | 2.8° | 0.0° |
| C3 | N | C2 | C1 | 110.8° | 172.8° |
| C3 | N | C2 | C26 | 174.5° | 124.1° |
| C3 | N | C26 | C27 | 105.7° | 172.7° |
| C3 | N | C26 | C31 | 131.0° | 52.8° |
| C3 | N | C2 | H10 | 8.7° | 67.3° |
| C3 | N | C2 | H11 | 129.8° | 52.8° |
| C3 | N | C26 | H28 | 10.4° | 67.3° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H18 | 180.0° | 180.0° |
| C12 | C13 | C14 | CL | 179.9° | 180.0° |
| C2 | C1 | N6 | H9 | 118.6° | 119.7° |
| C1 | C2 | N | H10 | 119.5° | 119.9° |
| C1 | C2 | N | H11 | 119.4° | 120.0° |
| C1 | C2 | N | C26 | 63.7° | 63.1° |
| C2 | C1 | N6 | C27 | 58.3° | 51.1° |
| C2 | C1 | N6 | C28 | 122.8° | 128.8° |
| C1 | C2 | H10 | H11 | 121.6° | 120.1° |
| C2 | C1 | C | H12 | 180.0° | 67.9° |
| C2 | C1 | C | H13 | 60.0° | 172.1° |
| C2 | C1 | C | H14 | 60.0° | 52.1° |
| N6 | C1 | C2 | N | 53.8° | 53.8° |
| C1 | N6 | C27 | C28 | 179.0° | 180.0° |
| C1 | N6 | C27 | C26 | 63.8° | 51.1° |
| C1 | N6 | C28 | C29 | 4.7° | 174.4° |
| C1 | N6 | C28 | O1 | 175.2° | 5.6° |
| N6 | C1 | C2 | H10 | 173.2° | 66.1° |
| N6 | C1 | C2 | H11 | 65.7° | 173.8° |
| N6 | C1 | C | H12 | 59.9° | 51.2° |
| N6 | C1 | C | H13 | 179.9° | 68.9° |
| N6 | C1 | C | H14 | 60.1° | 171.1° |
| C1 | N6 | C27 | H29 | 176.6° | 170.9° |
| C1 | N6 | C27 | H30 | 55.7° | 68.7° |
| C2 | N | C26 | C27 | 69.0° | 63.1° |
| C2 | N | C26 | C31 | 54.3° | 176.9° |
| N | C2 | C1 | H9 | 173.0° | 65.9° |
| N | C2 | H10 | H11 | 121.6° | 120.0° |
| C2 | N | C26 | H28 | 174.9° | 56.9° |
| N | C26 | C27 | N6 | 64.2° | 53.8° |
| N | C26 | C27 | C31 | 121.4° | 119.9° |
| N | C26 | C27 | H28 | 116.7° | 120.0° |
| N | C26 | C31 | H28 | 121.2° | 120.1° |
| C26 | N | C2 | H10 | 176.9° | 56.9° |
| C26 | N | C2 | H11 | 55.8° | 176.9° |
| N | C26 | C27 | H29 | 176.3° | 173.6° |
| N | C26 | C27 | H30 | 55.3° | 66.0° |
| N | C26 | C31 | H36 | 180.0° | 64.6° |
| N | C26 | C31 | H37 | 60.0° | 175.4° |
| N | C26 | C31 | H38 | 60.0° | 55.5° |
| C15 | C16 | C21 | C17 | 180.0° | 179.7° |
| C15 | C16 | C17 | C24 | 0.1° | 0.0° |
| C15 | C16 | C21 | N4 | 0.1° | 0.1° |
| C15 | C16 | C21 | C20 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 179.9° | 180.0° |
| C16 | C15 | C14 | C13 | 179.2° | 180.0° |
| C16 | C15 | C14 | CL | 0.5° | 0.0° |
| C14 | C15 | C16 | C21 | 83.5° | 90.0° |
| C14 | C15 | C16 | C17 | 96.5° | 89.7° |
| C15 | C14 | C13 | CL | 179.6° | 179.9° |
| C15 | C14 | C13 | H18 | 179.7° | 180.0° |
| C23 | N4 | C21 | C16 | 0.1° | 0.0° |
| C23 | N4 | C21 | N5 | 179.9° | 179.4° |
| C23 | N4 | C21 | C20 | 180.0° | 179.8° |
| C23 | N4 | N5 | C22 | 179.9° | 179.9° |
| N4 | C23 | H22 | H23 | 120.0° | 120.0° |
| N4 | C23 | H22 | H24 | 120.0° | 119.9° |
| N4 | C23 | H23 | H24 | 120.0° | 120.0° |
| C21 | C16 | C17 | C24 | 179.9° | 179.7° |
| C16 | C21 | N4 | C20 | 179.9° | 179.7° |
| C16 | C21 | N4 | N5 | 179.8° | 179.4° |
| C21 | C16 | C17 | C18 | 0.1° | 0.3° |
| C16 | C21 | C20 | C22 | 180.0° | 179.7° |
| C16 | C21 | C20 | C19 | 0.0° | 0.5° |
| C16 | C17 | C24 | C18 | 179.8° | 180.0° |
| C17 | C16 | C21 | N4 | 179.9° | 179.8° |
| C17 | C16 | C21 | C20 | 0.0° | 0.5° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H19 | 179.8° | 180.0° |
| C16 | C17 | C24 | H25 | 89.9° | 90.0° |
| C16 | C17 | C24 | H26 | 150.1° | 150.0° |
| C16 | C17 | C24 | H27 | 30.1° | 30.0° |
| C24 | C17 | C18 | C19 | 180.0° | 180.0° |
| C24 | C17 | C18 | H19 | 0.0° | 0.0° |
| C17 | C24 | H25 | H26 | 120.0° | 120.0° |
| C17 | C24 | H25 | H27 | 120.0° | 120.0° |
| C17 | C24 | H26 | H27 | 120.0° | 119.9° |
| C21 | N4 | N5 | C22 | 0.2° | 0.5° |
| N4 | C21 | C20 | C22 | 0.1° | 0.1° |
| N4 | C21 | C20 | C19 | 179.9° | 179.7° |
| C21 | N4 | C23 | H22 | 179.9° | 90.0° |
| C21 | N4 | C23 | H23 | 59.9° | 150.0° |
| C21 | N4 | C23 | H24 | 60.0° | 29.9° |
| N5 | N4 | C21 | C20 | 0.0° | 0.3° |
| N4 | N5 | C22 | C20 | 0.3° | 0.4° |
| N4 | N5 | C22 | H21 | 179.7° | 179.6° |
| N5 | N4 | C23 | H22 | 0.0° | 89.4° |
| N5 | N4 | C23 | H23 | 120.0° | 30.7° |
| N5 | N4 | C23 | H24 | 120.0° | 150.7° |
| C21 | C20 | C22 | N5 | 0.2° | 0.2° |
| C21 | C20 | C22 | C19 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C21 | C20 | C19 | H20 | 179.9° | 179.7° |
| C21 | C20 | C22 | H21 | 179.7° | 179.8° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C17 | C18 | C19 | H20 | 179.8° | 180.0° |
| C18 | C17 | C24 | H25 | 89.9° | 90.0° |
| C18 | C17 | C24 | H26 | 30.1° | 30.0° |
| C18 | C17 | C24 | H27 | 150.1° | 150.0° |
| N5 | C22 | C20 | H21 | 180.0° | 180.0° |
| N5 | C22 | C20 | C19 | 179.8° | 180.0° |
| N6 | C27 | C26 | H29 | 119.5° | 119.8° |
| N6 | C27 | C26 | H30 | 119.5° | 119.9° |
| N6 | C27 | C26 | C31 | 57.2° | 173.8° |
| C27 | N6 | C28 | C29 | 176.5° | 5.6° |
| C27 | N6 | C28 | O1 | 3.7° | 174.4° |
| C27 | N6 | C1 | H9 | 176.9° | 68.6° |
| N6 | C27 | C26 | H28 | 179.1° | 66.2° |
| N6 | C27 | H29 | H30 | 121.4° | 120.5° |
| C28 | N6 | C27 | C26 | 117.2° | 128.8° |
| N6 | C28 | C29 | C30 | 120.7° | 180.0° |
| N6 | C28 | C29 | O1 | 179.9° | 180.0° |
| C28 | N6 | C1 | H9 | 4.1° | 111.5° |
| C28 | N6 | C27 | H29 | 2.3° | 9.1° |
| C28 | N6 | C27 | H30 | 123.3° | 111.4° |
| N6 | C28 | C29 | H31 | 0.6° | 60.0° |
| N6 | C28 | C29 | H32 | 119.2° | 60.0° |
| C27 | C26 | C31 | H28 | 121.9° | 120.1° |
| C26 | C27 | H29 | H30 | 121.5° | 120.4° |
| C27 | C26 | C31 | H36 | 63.1° | 55.3° |
| C27 | C26 | C31 | H37 | 176.9° | 64.7° |
| C27 | C26 | C31 | H38 | 56.9° | 175.4° |
| C22 | C20 | C19 | C18 | 180.0° | 180.0° |
| C22 | C20 | C19 | H20 | 0.0° | 0.1° |
| C20 | C19 | C18 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | H19 | 179.9° | 180.0° |
| C19 | C20 | C22 | H21 | 0.2° | 0.1° |
| CL | C14 | C13 | H18 | 0.1° | 0.1° |
| C30 | C29 | C28 | H31 | 120.1° | 120.0° |
| C30 | C29 | C28 | H32 | 120.1° | 120.0° |
| C30 | C29 | C28 | O1 | 59.2° | 0.0° |
| C30 | C29 | H31 | H32 | 119.8° | 120.1° |
| C29 | C30 | H33 | H34 | 120.0° | 120.0° |
| C29 | C30 | H33 | H35 | 120.0° | 120.0° |
| C29 | C30 | H34 | H35 | 120.0° | 120.0° |
| C31 | C26 | C27 | H29 | 62.3° | 66.5° |
| C31 | C26 | C27 | H30 | 176.7° | 53.9° |
| C26 | C31 | H36 | H37 | 120.0° | 120.0° |
| C26 | C31 | H36 | H38 | 120.0° | 120.1° |
| C26 | C31 | H37 | H38 | 120.0° | 120.0° |
| C28 | C29 | H31 | H32 | 119.7° | 120.0° |
| C28 | C29 | C30 | H33 | 180.0° | 60.0° |
| C28 | C29 | C30 | H34 | 60.0° | 60.0° |
| C28 | C29 | C30 | H35 | 60.0° | 180.0° |
| O1 | C28 | C29 | H31 | 179.2° | 120.0° |
| O1 | C28 | C29 | H32 | 60.9° | 120.0° |
| H1 | C8 | C7 | H4 | 15.4° | 144.7° |
| H1 | C8 | C7 | H5 | 105.7° | 22.5° |
| H1 | C8 | C9 | H39 | 103.4° | 37.5° |
| H1 | C8 | C9 | H40 | 17.2° | 160.6° |
| H2 | C8 | C7 | H4 | 136.4° | 21.6° |
| H2 | C8 | C7 | H5 | 15.4° | 100.6° |
| H2 | C8 | C9 | H39 | 17.7° | 85.7° |
| H2 | C8 | C9 | H40 | 138.3° | 37.3° |
| H4 | C7 | C6 | H6 | 7.6° | 0.8° |
| H5 | C7 | C6 | H6 | 113.4° | 122.9° |
| H6 | C6 | C5 | H7 | 93.4° | 174.7° |
| H6 | C6 | C5 | H8 | 26.8° | 65.2° |
| H9 | C1 | C2 | H10 | 67.5° | 174.2° |
| H9 | C1 | C2 | H11 | 53.5° | 54.1° |
| H9 | C1 | C | H12 | 59.8° | 171.6° |
| H9 | C1 | C | H13 | 60.2° | 51.6° |
| H9 | C1 | C | H14 | 179.9° | 68.4° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
| H19 | C18 | C19 | H20 | 0.1° | 0.0° |
| H22 | C23 | H23 | H24 | 120.0° | 120.0° |
| H25 | C24 | H26 | H27 | 120.0° | 120.0° |
| H28 | C26 | C27 | H29 | 59.6° | 53.6° |
| H28 | C26 | C27 | H30 | 61.4° | 174.0° |
| H28 | C26 | C31 | H36 | 58.8° | 175.3° |
| H28 | C26 | C31 | H37 | 61.2° | 55.4° |
| H28 | C26 | C31 | H38 | 178.9° | 64.6° |
| H31 | C29 | C30 | H33 | 59.9° | 180.0° |
| H31 | C29 | C30 | H34 | 60.1° | 60.0° |
| H31 | C29 | C30 | H35 | 179.9° | 60.0° |
| H32 | C29 | C30 | H33 | 59.9° | 60.0° |
| H32 | C29 | C30 | H34 | 179.9° | 179.9° |
| H32 | C29 | C30 | H35 | 60.1° | 60.0° |
| H33 | C30 | H34 | H35 | 120.0° | 119.9° |
| H36 | C31 | H37 | H38 | 120.0° | 120.0° |
