A1C3N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C6 | sing | 1.53Å | 1.55Å | |
| C2 | N6 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C6 | sing | 1.46Å | 1.46Å | |
| N1 | C7 | sing | 1.38Å | 1.41Å | |
| C7 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | C21 | sing | 1.42Å | 1.42Å | Aromatic |
| N2 | C8 | sing | 1.33Å | 1.32Å | Aromatic |
| C8 | O1 | sing | 1.35Å | 1.36Å | |
| C8 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | N3 | sing | 1.48Å | 1.47Å | |
| C10 | C16 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.55Å | 1.52Å | |
| C12 | C13 | sing | 1.55Å | 1.53Å | |
| C13 | N3 | sing | 1.48Å | 1.47Å | |
| N3 | C14 | sing | 1.48Å | 1.47Å | |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| C15 | F1 | sing | 1.40Å | 1.35Å | |
| C15 | C16 | sing | 1.55Å | 1.51Å | |
| N4 | C17 | sing | 1.34Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C21 | sing | 1.42Å | 1.41Å | Aromatic |
| C18 | F2 | sing | 1.35Å | 1.35Å | |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | N5 | doub | 1.34Å | 1.34Å | Aromatic |
| C19 | C22 | sing | 1.48Å | 1.46Å | |
| N5 | C20 | sing | 1.31Å | 1.35Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C31 | sing | 1.41Å | 1.45Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | O2 | sing | 1.36Å | 1.37Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.42Å | Aromatic |
| C26 | C31 | sing | 1.42Å | 1.44Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | F3 | sing | 1.35Å | 1.37Å | |
| C29 | C30 | sing | 1.37Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.44Å | Aromatic |
| C30 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | O3 | sing | 1.45Å | 1.43Å | |
| O3 | C35 | sing | 1.34Å | 1.33Å | |
| C35 | O4 | doub | 1.22Å | 1.23Å | |
| C35 | N6 | sing | 1.35Å | 1.38Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 107.6° | 109.3° |
| C1 | C2 | C6 | 109.8° | 110.2° |
| C1 | C2 | N6 | 111.8° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C3 | C2 | C6 | 106.8° | 109.5° |
| C3 | C2 | N6 | 109.8° | 108.8° |
| C2 | C3 | C4 | 112.5° | 108.8° |
| C2 | C3 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 108.7° | 109.6° |
| C6 | C2 | N6 | 110.8° | 109.6° |
| C2 | C6 | N1 | 113.9° | 109.9° |
| C2 | C6 | H10 | 108.3° | 109.4° |
| C2 | C6 | H11 | 108.3° | 109.4° |
| C2 | N6 | C35 | 128.3° | 119.2° |
| C2 | N6 | H37 | 115.8° | 120.4° |
| C3 | C4 | C5 | 110.9° | 109.4° |
| C4 | C3 | H4 | 108.7° | 109.6° |
| C4 | C3 | H5 | 108.7° | 109.6° |
| C3 | C4 | H6 | 109.1° | 109.5° |
| C3 | C4 | H7 | 109.1° | 109.5° |
| C4 | C5 | N1 | 111.4° | 110.4° |
| C5 | C4 | H6 | 109.1° | 109.5° |
| C5 | C4 | H7 | 109.1° | 109.5° |
| C4 | C5 | H8 | 109.0° | 109.4° |
| C4 | C5 | H9 | 109.0° | 109.3° |
| C5 | N1 | C6 | 114.1° | 111.7° |
| C5 | N1 | C7 | 120.4° | 111.5° |
| N1 | C5 | H8 | 109.0° | 109.4° |
| N1 | C5 | H9 | 109.0° | 109.3° |
| C6 | N1 | C7 | 119.1° | 110.6° |
| N1 | C6 | H10 | 108.4° | 109.4° |
| N1 | C6 | H11 | 108.4° | 109.3° |
| N1 | C7 | N2 | 115.3° | 121.4° |
| N1 | C7 | C21 | 127.2° | 120.5° |
| N2 | C7 | C21 | 117.5° | 118.1° |
| C7 | N2 | C8 | 120.0° | 121.4° |
| C7 | C21 | C17 | 119.4° | 118.1° |
| C7 | C21 | C20 | 124.1° | 122.9° |
| N2 | C8 | O1 | 119.0° | 118.5° |
| N2 | C8 | N4 | 125.6° | 123.0° |
| O1 | C8 | N4 | 115.4° | 118.5° |
| C8 | O1 | C9 | 118.1° | 117.0° |
| C8 | N4 | C17 | 118.0° | 120.2° |
| O1 | C9 | C10 | 108.6° | 109.5° |
| O1 | C9 | H12 | 109.7° | 109.5° |
| O1 | C9 | H13 | 109.7° | 109.4° |
| C9 | C10 | C11 | 112.0° | 110.9° |
| C9 | C10 | N3 | 107.2° | 110.9° |
| C9 | C10 | C16 | 110.7° | 111.7° |
| C10 | C9 | H12 | 109.7° | 109.5° |
| C10 | C9 | H13 | 109.7° | 109.5° |
| C11 | C10 | N3 | 106.6° | 107.2° |
| C11 | C10 | C16 | 114.1° | 108.8° |
| C10 | C11 | C12 | 105.5° | 103.1° |
| C10 | C11 | H14 | 110.5° | 110.7° |
| C10 | C11 | H15 | 110.4° | 110.8° |
| N3 | C10 | C16 | 105.7° | 107.2° |
| C10 | N3 | C13 | 109.3° | 108.4° |
| C10 | N3 | C14 | 107.3° | 108.5° |
| C10 | C16 | C15 | 105.3° | 103.1° |
| C10 | C16 | H23 | 110.5° | 110.7° |
| C10 | C16 | H24 | 110.5° | 110.8° |
| C11 | C12 | C13 | 103.8° | 101.7° |
| C12 | C11 | H14 | 110.4° | 110.7° |
| C12 | C11 | H15 | 110.5° | 110.7° |
| C11 | C12 | H16 | 110.9° | 111.0° |
| C11 | C12 | H17 | 110.9° | 111.0° |
| C12 | C13 | N3 | 106.0° | 104.8° |
| C13 | C12 | H16 | 110.9° | 111.0° |
| C13 | C12 | H17 | 110.9° | 111.0° |
| C12 | C13 | H18 | 110.4° | 110.4° |
| C12 | C13 | H19 | 110.3° | 110.4° |
| C13 | N3 | C14 | 113.3° | 110.0° |
| N3 | C13 | H18 | 110.3° | 110.4° |
| N3 | C13 | H19 | 110.3° | 110.4° |
| N3 | C14 | C15 | 105.9° | 104.8° |
| N3 | C14 | H20 | 110.3° | 110.4° |
| N3 | C14 | H21 | 110.3° | 110.5° |
| C14 | C15 | F1 | 114.1° | 111.0° |
| C14 | C15 | C16 | 100.1° | 101.6° |
| C15 | C14 | H20 | 110.4° | 110.4° |
| C15 | C14 | H21 | 110.4° | 110.3° |
| C14 | C15 | H22 | 108.7° | 111.0° |
| F1 | C15 | C16 | 113.2° | 111.0° |
| F1 | C15 | H22 | 111.3° | 110.9° |
| C16 | C15 | H22 | 108.9° | 111.0° |
| C15 | C16 | H23 | 110.5° | 110.7° |
| C15 | C16 | H24 | 110.5° | 110.7° |
| N4 | C17 | C18 | 117.8° | 123.1° |
| N4 | C17 | C21 | 118.6° | 118.7° |
| C18 | C17 | C21 | 122.4° | 118.2° |
| C17 | C18 | F2 | 120.3° | 120.7° |
| C17 | C18 | C19 | 114.5° | 118.5° |
| C17 | C21 | C20 | 115.7° | 119.0° |
| F2 | C18 | C19 | 118.9° | 120.7° |
| C18 | C19 | N5 | 123.8° | 120.9° |
| C18 | C19 | C22 | 119.2° | 119.1° |
| N5 | C19 | C22 | 116.5° | 119.9° |
| C19 | N5 | C20 | 119.5° | 122.6° |
| C19 | C22 | C23 | 112.5° | 118.1° |
| C19 | C22 | C31 | 130.3° | 122.6° |
| N5 | C20 | C21 | 120.4° | 120.2° |
| N5 | C20 | H25 | 119.8° | 119.9° |
| C21 | C20 | H25 | 119.8° | 119.9° |
| C23 | C22 | C31 | 117.1° | 119.2° |
| C22 | C23 | C24 | 122.4° | 120.8° |
| C22 | C23 | H26 | 118.8° | 119.6° |
| C22 | C31 | C26 | 117.8° | 119.0° |
| C22 | C31 | C30 | 126.5° | 122.1° |
| C23 | C24 | O2 | 119.1° | 119.7° |
| C23 | C24 | C25 | 118.5° | 120.7° |
| C24 | C23 | H26 | 118.8° | 119.6° |
| O2 | C24 | C25 | 119.1° | 119.6° |
| C24 | O2 | H27 | 109.5° | 114.0° |
| C24 | C25 | C26 | 119.5° | 119.9° |
| C24 | C25 | H28 | 120.3° | 120.1° |
| C25 | C26 | C27 | 118.8° | 120.9° |
| C25 | C26 | C31 | 120.1° | 119.7° |
| C26 | C25 | H28 | 120.3° | 120.0° |
| C27 | C26 | C31 | 120.9° | 119.4° |
| C26 | C27 | C28 | 121.3° | 119.6° |
| C26 | C27 | H29 | 119.3° | 120.2° |
| C26 | C31 | C30 | 115.2° | 118.8° |
| C27 | C28 | C29 | 118.8° | 120.7° |
| C28 | C27 | H29 | 119.4° | 120.2° |
| C27 | C28 | H30 | 120.6° | 119.6° |
| C28 | C29 | F3 | 121.2° | 119.5° |
| C28 | C29 | C30 | 121.3° | 120.9° |
| C29 | C28 | H30 | 120.6° | 119.6° |
| F3 | C29 | C30 | 117.5° | 119.6° |
| C29 | C30 | C31 | 122.1° | 119.7° |
| C29 | C30 | C32 | 116.6° | 118.3° |
| C31 | C30 | C32 | 121.2° | 122.0° |
| C30 | C32 | C33 | 108.3° | 110.4° |
| C30 | C32 | H31 | 109.8° | 109.3° |
| C30 | C32 | H32 | 109.7° | 109.3° |
| C32 | C33 | C34 | 113.9° | 110.0° |
| C33 | C32 | H31 | 109.8° | 109.3° |
| C33 | C32 | H32 | 109.8° | 109.3° |
| C32 | C33 | H33 | 108.3° | 109.4° |
| C32 | C33 | H34 | 108.3° | 109.4° |
| C33 | C34 | O3 | 113.2° | 110.4° |
| C34 | C33 | H33 | 108.4° | 109.4° |
| C34 | C33 | H34 | 108.4° | 109.4° |
| C33 | C34 | H35 | 108.5° | 109.3° |
| C33 | C34 | H36 | 108.5° | 109.3° |
| C34 | O3 | C35 | 114.3° | 117.5° |
| O3 | C34 | H35 | 108.5° | 109.3° |
| O3 | C34 | H36 | 108.5° | 109.3° |
| O3 | C35 | O4 | 122.4° | 118.7° |
| O3 | C35 | N6 | 111.2° | 122.6° |
| O4 | C35 | N6 | 126.4° | 118.7° |
| C35 | N6 | H37 | 115.9° | 120.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.7° |
| H14 | C11 | H15 | 109.5° | 110.6° |
| H16 | C12 | H17 | 109.5° | 110.8° |
| H18 | C13 | H19 | 109.5° | 110.4° |
| H20 | C14 | H21 | 109.5° | 110.3° |
| H23 | C16 | H24 | 109.5° | 110.6° |
| H31 | C32 | H32 | 109.5° | 109.2° |
| H33 | C33 | H34 | 109.5° | 109.2° |
| H35 | C34 | H36 | 109.4° | 109.2° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.2° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C6 | 117.9° | 120.8° |
| C1 | C2 | C3 | N6 | 121.9° | 119.4° |
| C1 | C2 | C6 | N6 | 124.0° | 120.5° |
| C1 | C2 | C3 | C4 | 171.6° | 113.6° |
| C1 | C2 | C6 | N1 | 171.5° | 57.1° |
| C1 | C2 | N6 | C35 | 41.0° | 69.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 67.9° | 126.6° |
| C1 | C2 | C3 | H5 | 51.2° | 6.2° |
| C1 | C2 | C6 | H10 | 50.9° | 63.1° |
| C1 | C2 | C6 | H11 | 67.8° | 177.1° |
| C1 | C2 | N6 | H37 | 139.0° | 110.9° |
| C3 | C2 | C6 | N6 | 119.5° | 119.3° |
| C2 | C3 | C4 | H4 | 120.5° | 119.8° |
| C2 | C3 | C4 | H5 | 120.5° | 119.8° |
| C2 | C3 | C4 | C5 | 54.0° | 52.6° |
| C3 | C2 | C6 | N1 | 55.1° | 63.1° |
| C3 | C2 | N6 | C35 | 160.3° | 171.7° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | H4 | H5 | 118.6° | 120.4° |
| C2 | C3 | C4 | H6 | 66.2° | 67.4° |
| C2 | C3 | C4 | H7 | 174.2° | 172.6° |
| C3 | C2 | C6 | H10 | 65.6° | 176.7° |
| C3 | C2 | C6 | H11 | 175.8° | 56.9° |
| C3 | C2 | N6 | H37 | 19.7° | 8.4° |
| C6 | C2 | C3 | C4 | 53.7° | 7.1° |
| C2 | C6 | N1 | C5 | 57.4° | 55.3° |
| C2 | C6 | N1 | H10 | 120.6° | 120.2° |
| C2 | C6 | N1 | H11 | 120.7° | 120.1° |
| C2 | C6 | N1 | C7 | 94.7° | 179.8° |
| C6 | C2 | N6 | C35 | 81.9° | 52.0° |
| C6 | C2 | C1 | H1 | 64.0° | 179.7° |
| C6 | C2 | C1 | H2 | 56.0° | 59.7° |
| C6 | C2 | C1 | H3 | 175.9° | 60.3° |
| C6 | C2 | C3 | H4 | 174.2° | 112.6° |
| C6 | C2 | C3 | H5 | 66.7° | 127.0° |
| C2 | C6 | H10 | H11 | 117.9° | 119.8° |
| C6 | C2 | N6 | H37 | 98.1° | 128.1° |
| N6 | C2 | C3 | C4 | 66.5° | 126.9° |
| N6 | C2 | C6 | N1 | 64.4° | 177.6° |
| C2 | N6 | C35 | O3 | 33.6° | 5.8° |
| C2 | N6 | C35 | O4 | 143.6° | 174.2° |
| C2 | N6 | C35 | H37 | 180.0° | 179.9° |
| N6 | C2 | C1 | H1 | 59.4° | 59.1° |
| N6 | C2 | C1 | H2 | 179.4° | 60.9° |
| N6 | C2 | C1 | H3 | 60.6° | 179.1° |
| N6 | C2 | C3 | H4 | 54.0° | 7.2° |
| N6 | C2 | C3 | H5 | 173.0° | 113.2° |
| N6 | C2 | C6 | H10 | 174.9° | 57.4° |
| N6 | C2 | C6 | H11 | 56.2° | 62.4° |
| C3 | C4 | C5 | H6 | 120.2° | 120.0° |
| C3 | C4 | C5 | H7 | 120.2° | 120.0° |
| C3 | C4 | C5 | N1 | 51.7° | 62.4° |
| C4 | C3 | H4 | H5 | 118.6° | 120.3° |
| C3 | C4 | H6 | H7 | 119.3° | 120.0° |
| C3 | C4 | C5 | H8 | 172.0° | 177.2° |
| C3 | C4 | C5 | H9 | 68.6° | 57.8° |
| C4 | C5 | N1 | H8 | 120.3° | 120.4° |
| C4 | C5 | N1 | H9 | 120.3° | 120.2° |
| C4 | C5 | N1 | C6 | 54.0° | 6.6° |
| C4 | C5 | N1 | C7 | 97.8° | 117.8° |
| C5 | C4 | C3 | H4 | 174.5° | 172.3° |
| C5 | C4 | C3 | H5 | 66.5° | 67.3° |
| C5 | C4 | H6 | H7 | 119.4° | 120.0° |
| C4 | C5 | H8 | H9 | 119.1° | 119.5° |
| C5 | N1 | C6 | C7 | 152.2° | 124.9° |
| C5 | N1 | C7 | N2 | 4.1° | 11.6° |
| C5 | N1 | C7 | C21 | 174.2° | 170.6° |
| N1 | C5 | C4 | H6 | 68.5° | 57.6° |
| N1 | C5 | C4 | H7 | 171.9° | 177.6° |
| N1 | C5 | H8 | H9 | 119.2° | 119.6° |
| C5 | N1 | C6 | H10 | 63.2° | 175.4° |
| C5 | N1 | C6 | H11 | 178.1° | 64.8° |
| C6 | N1 | C7 | N2 | 146.3° | 113.4° |
| C6 | N1 | C7 | C21 | 35.4° | 64.4° |
| C6 | N1 | C5 | H8 | 174.3° | 127.0° |
| C6 | N1 | C5 | H9 | 66.3° | 113.6° |
| N1 | C6 | H10 | H11 | 118.0° | 119.7° |
| N1 | C7 | N2 | C21 | 178.5° | 177.9° |
| N1 | C7 | N2 | C8 | 179.7° | 175.7° |
| N1 | C7 | C21 | C17 | 172.5° | 171.1° |
| N1 | C7 | C21 | C20 | 18.3° | 8.1° |
| C7 | N1 | C5 | H8 | 22.5° | 2.6° |
| C7 | N1 | C5 | H9 | 142.0° | 122.0° |
| C7 | N1 | C6 | H10 | 144.6° | 59.7° |
| C7 | N1 | C6 | H11 | 25.9° | 60.1° |
| C7 | N2 | C8 | O1 | 175.0° | 178.5° |
| C7 | N2 | C8 | N4 | 6.0° | 1.5° |
| N2 | C7 | C21 | C17 | 9.3° | 6.9° |
| N2 | C7 | C21 | C20 | 159.9° | 174.0° |
| C21 | C7 | N2 | C8 | 1.2° | 2.2° |
| C7 | C21 | C17 | N4 | 10.8° | 8.0° |
| C7 | C21 | C17 | C18 | 178.0° | 172.0° |
| C7 | C21 | C17 | C20 | 170.1° | 179.2° |
| C7 | C21 | C20 | N5 | 170.0° | 173.2° |
| C7 | C21 | C20 | H25 | 10.0° | 6.9° |
| N2 | C8 | O1 | N4 | 179.1° | 180.0° |
| N2 | C8 | O1 | C9 | 4.3° | 180.0° |
| N2 | C8 | N4 | C17 | 4.5° | 0.3° |
| C8 | O1 | C9 | C10 | 167.5° | 180.0° |
| O1 | C8 | N4 | C17 | 176.5° | 179.7° |
| C8 | O1 | C9 | H12 | 72.7° | 60.0° |
| C8 | O1 | C9 | H13 | 47.6° | 60.0° |
| N4 | C8 | O1 | C9 | 174.8° | 0.0° |
| C8 | N4 | C17 | C18 | 171.9° | 175.5° |
| C8 | N4 | C17 | C21 | 4.1° | 4.5° |
| O1 | C9 | C10 | H12 | 119.8° | 120.0° |
| O1 | C9 | C10 | H13 | 119.9° | 119.9° |
| O1 | C9 | C10 | C11 | 179.2° | 61.0° |
| O1 | C9 | C10 | N3 | 62.7° | 180.0° |
| O1 | C9 | C10 | C16 | 52.2° | 60.5° |
| O1 | C9 | H12 | H13 | 120.4° | 119.9° |
| C9 | C10 | C11 | N3 | 116.9° | 121.2° |
| C9 | C10 | C11 | C16 | 126.7° | 123.2° |
| C9 | C10 | N3 | C16 | 118.2° | 122.2° |
| C9 | C10 | C11 | C12 | 102.4° | 143.2° |
| C9 | C10 | N3 | C13 | 124.3° | 119.8° |
| C9 | C10 | N3 | C14 | 112.4° | 120.8° |
| C9 | C10 | C16 | C15 | 135.1° | 143.7° |
| C9 | C10 | C11 | H14 | 138.2° | 24.8° |
| C9 | C10 | C11 | H15 | 16.9° | 98.3° |
| C9 | C10 | C16 | H23 | 15.8° | 97.8° |
| C9 | C10 | C16 | H24 | 105.6° | 25.3° |
| C10 | C9 | H12 | H13 | 120.4° | 120.0° |
| C11 | C10 | N3 | C16 | 121.8° | 116.6° |
| C10 | C11 | C12 | H14 | 119.4° | 118.4° |
| C10 | C11 | C12 | H15 | 119.3° | 118.6° |
| C10 | C11 | C12 | C13 | 26.8° | 35.6° |
| C11 | C10 | N3 | C13 | 4.3° | 1.4° |
| C11 | C10 | N3 | C14 | 127.5° | 118.0° |
| C11 | C10 | C16 | C15 | 97.5° | 93.5° |
| C10 | C11 | H14 | H15 | 121.8° | 123.3° |
| C10 | C11 | C12 | H16 | 145.9° | 82.5° |
| C10 | C11 | C12 | H17 | 92.3° | 153.7° |
| C11 | C10 | C16 | H23 | 143.1° | 24.9° |
| C11 | C10 | C16 | H24 | 21.8° | 148.0° |
| C11 | C10 | C9 | H12 | 60.9° | 59.0° |
| C11 | C10 | C9 | H13 | 59.4° | 179.0° |
| N3 | C10 | C11 | C12 | 14.5° | 22.0° |
| C10 | N3 | C13 | C12 | 21.4° | 24.5° |
| C10 | N3 | C13 | C14 | 119.6° | 118.5° |
| C10 | N3 | C14 | C15 | 28.6° | 24.5° |
| N3 | C10 | C16 | C15 | 19.3° | 22.0° |
| N3 | C10 | C11 | H14 | 104.8° | 96.4° |
| N3 | C10 | C11 | H15 | 133.9° | 140.5° |
| C10 | N3 | C13 | H18 | 98.1° | 143.4° |
| C10 | N3 | C13 | H19 | 140.8° | 94.3° |
| C10 | N3 | C14 | H20 | 148.0° | 94.4° |
| C10 | N3 | C14 | H21 | 90.9° | 143.3° |
| N3 | C10 | C16 | H23 | 100.0° | 140.5° |
| N3 | C10 | C16 | H24 | 138.6° | 96.4° |
| N3 | C10 | C9 | H12 | 177.5° | 60.0° |
| N3 | C10 | C9 | H13 | 57.2° | 60.0° |
| C16 | C10 | C11 | C12 | 130.8° | 93.6° |
| C16 | C10 | N3 | C13 | 117.5° | 118.1° |
| C16 | C10 | N3 | C14 | 5.7° | 1.4° |
| C10 | C16 | C15 | C14 | 35.0° | 35.6° |
| C10 | C16 | C15 | F1 | 86.9° | 82.4° |
| C10 | C16 | C15 | H23 | 119.3° | 118.4° |
| C10 | C16 | C15 | H24 | 119.3° | 118.5° |
| C16 | C10 | C11 | H14 | 11.5° | 148.0° |
| C16 | C10 | C11 | H15 | 109.8° | 24.9° |
| C10 | C16 | C15 | H22 | 148.8° | 153.8° |
| C10 | C16 | H23 | H24 | 122.0° | 123.2° |
| C16 | C10 | C9 | H12 | 67.6° | 179.5° |
| C16 | C10 | C9 | H13 | 172.1° | 59.4° |
| C11 | C12 | C13 | H16 | 119.1° | 118.1° |
| C11 | C12 | C13 | H17 | 119.1° | 118.1° |
| C11 | C12 | C13 | N3 | 29.7° | 37.3° |
| C12 | C11 | H14 | H15 | 121.9° | 123.1° |
| C11 | C12 | H16 | H17 | 122.6° | 123.9° |
| C11 | C12 | C13 | H18 | 89.7° | 156.1° |
| C11 | C12 | C13 | H19 | 149.2° | 81.5° |
| C12 | C13 | N3 | H18 | 119.5° | 118.9° |
| C12 | C13 | N3 | H19 | 119.4° | 118.8° |
| C12 | C13 | N3 | C14 | 141.0° | 94.0° |
| C13 | C12 | C11 | H14 | 92.6° | 82.8° |
| C13 | C12 | C11 | H15 | 146.1° | 154.2° |
| C13 | C12 | H16 | H17 | 122.6° | 123.8° |
| C12 | C13 | H18 | H19 | 121.6° | 122.3° |
| C13 | N3 | C14 | C15 | 92.2° | 94.0° |
| N3 | C13 | C12 | H16 | 148.8° | 80.8° |
| N3 | C13 | C12 | H17 | 89.4° | 155.4° |
| N3 | C13 | H18 | H19 | 121.6° | 122.3° |
| C13 | N3 | C14 | H20 | 27.2° | 147.2° |
| C13 | N3 | C14 | H21 | 148.3° | 24.9° |
| N3 | C14 | C15 | H20 | 119.4° | 118.9° |
| N3 | C14 | C15 | H21 | 119.4° | 118.9° |
| N3 | C14 | C15 | F1 | 81.9° | 80.8° |
| N3 | C14 | C15 | C16 | 39.3° | 37.3° |
| C14 | N3 | C13 | H18 | 21.5° | 24.9° |
| C14 | N3 | C13 | H19 | 99.6° | 147.2° |
| N3 | C14 | H20 | H21 | 121.6° | 122.4° |
| N3 | C14 | C15 | H22 | 153.4° | 155.4° |
| C14 | C15 | F1 | C16 | 113.6° | 112.2° |
| C14 | C15 | F1 | H22 | 123.4° | 123.9° |
| C14 | C15 | C16 | H22 | 113.9° | 118.1° |
| C15 | C14 | H20 | H21 | 121.7° | 122.2° |
| C14 | C15 | C16 | H23 | 84.4° | 154.1° |
| C14 | C15 | C16 | H24 | 154.3° | 82.9° |
| F1 | C15 | C16 | H22 | 124.3° | 123.8° |
| F1 | C15 | C14 | H20 | 37.6° | 160.4° |
| F1 | C15 | C14 | H21 | 158.7° | 38.2° |
| F1 | C15 | C16 | H23 | 153.8° | 36.0° |
| F1 | C15 | C16 | H24 | 32.5° | 159.0° |
| C16 | C15 | C14 | H20 | 158.7° | 81.6° |
| C16 | C15 | C14 | H21 | 80.1° | 156.2° |
| C15 | C16 | H23 | H24 | 121.9° | 123.0° |
| N4 | C17 | C18 | C21 | 167.3° | 180.0° |
| N4 | C17 | C18 | F2 | 33.0° | 2.1° |
| N4 | C17 | C18 | C19 | 174.9° | 177.9° |
| N4 | C17 | C21 | C20 | 159.3° | 172.7° |
| C17 | C18 | F2 | C19 | 150.8° | 180.0° |
| C17 | C18 | C19 | N5 | 12.7° | 4.6° |
| C17 | C18 | C19 | C22 | 159.5° | 176.5° |
| C18 | C17 | C21 | C20 | 7.9° | 7.2° |
| C21 | C17 | C18 | F2 | 159.7° | 177.9° |
| C21 | C17 | C18 | C19 | 7.7° | 2.1° |
| C17 | C21 | C20 | N5 | 20.4° | 6.0° |
| C17 | C21 | C20 | H25 | 159.6° | 173.9° |
| F2 | C18 | C19 | N5 | 165.2° | 175.4° |
| F2 | C18 | C19 | C22 | 7.1° | 3.5° |
| C18 | C19 | N5 | C22 | 172.5° | 178.9° |
| C18 | C19 | N5 | C20 | 0.9° | 6.2° |
| C18 | C19 | C22 | C23 | 114.1° | 31.3° |
| C18 | C19 | C22 | C31 | 60.2° | 145.8° |
| C19 | N5 | C20 | C21 | 16.5° | 0.8° |
| N5 | C19 | C22 | C23 | 73.0° | 147.6° |
| N5 | C19 | C22 | C31 | 112.6° | 35.3° |
| C19 | N5 | C20 | H25 | 163.5° | 179.3° |
| C22 | C19 | N5 | C20 | 171.5° | 174.8° |
| C19 | C22 | C23 | C31 | 175.2° | 177.2° |
| C19 | C22 | C23 | C24 | 167.4° | 177.0° |
| C19 | C22 | C31 | C26 | 156.2° | 172.8° |
| C19 | C22 | C31 | C30 | 15.3° | 9.9° |
| C19 | C22 | C23 | H26 | 12.6° | 3.1° |
| N5 | C20 | C21 | H25 | 180.0° | 179.9° |
| C22 | C23 | C24 | H26 | 180.0° | 180.0° |
| C22 | C23 | C24 | O2 | 171.5° | 179.8° |
| C22 | C23 | C24 | C25 | 12.3° | 0.3° |
| C23 | C22 | C31 | C26 | 17.9° | 10.1° |
| C23 | C22 | C31 | C30 | 170.5° | 167.2° |
| C31 | C22 | C23 | C24 | 7.8° | 5.8° |
| C22 | C31 | C26 | C25 | 8.6° | 8.6° |
| C22 | C31 | C26 | C27 | 165.9° | 171.2° |
| C22 | C31 | C26 | C30 | 172.5° | 177.4° |
| C22 | C31 | C30 | C29 | 167.3° | 172.6° |
| C22 | C31 | C30 | C32 | 16.7° | 9.5° |
| C31 | C22 | C23 | H26 | 172.2° | 174.1° |
| C23 | C24 | O2 | C25 | 159.1° | 179.9° |
| C23 | C24 | C25 | C26 | 22.1° | 1.9° |
| C23 | C24 | O2 | H27 | 180.0° | 90.0° |
| C23 | C24 | C25 | H28 | 157.9° | 178.1° |
| O2 | C24 | C25 | C26 | 178.7° | 178.2° |
| O2 | C24 | C23 | H26 | 8.5° | 0.1° |
| O2 | C24 | C25 | H28 | 1.3° | 1.8° |
| C24 | C25 | C26 | H28 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 173.8° | 177.2° |
| C24 | C25 | C26 | C31 | 11.6° | 2.6° |
| C25 | C24 | O2 | H27 | 20.9° | 90.0° |
| C25 | C24 | C23 | H26 | 167.7° | 179.8° |
| C25 | C26 | C27 | C31 | 174.6° | 179.8° |
| C25 | C26 | C27 | C28 | 178.8° | 174.1° |
| C25 | C26 | C31 | C30 | 178.9° | 168.8° |
| C25 | C26 | C27 | H29 | 1.2° | 5.8° |
| C26 | C27 | C28 | H29 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 3.9° | 0.6° |
| C27 | C26 | C31 | C30 | 6.6° | 11.4° |
| C27 | C26 | C25 | H28 | 6.2° | 2.8° |
| C26 | C27 | C28 | H30 | 176.1° | 179.5° |
| C31 | C26 | C27 | C28 | 6.6° | 6.1° |
| C26 | C31 | C30 | C29 | 4.4° | 10.1° |
| C26 | C31 | C30 | C32 | 171.6° | 167.8° |
| C31 | C26 | C25 | H28 | 168.4° | 177.4° |
| C31 | C26 | C27 | H29 | 173.4° | 174.0° |
| C27 | C28 | C29 | H30 | 180.0° | 180.0° |
| C27 | C28 | C29 | F3 | 177.4° | 178.1° |
| C27 | C28 | C29 | C30 | 1.6° | 1.9° |
| C28 | C29 | F3 | C30 | 179.0° | 180.0° |
| C28 | C29 | C30 | C31 | 2.0° | 3.6° |
| C28 | C29 | C30 | C32 | 174.2° | 174.4° |
| C29 | C28 | C27 | H29 | 176.1° | 179.4° |
| F3 | C29 | C30 | C31 | 177.0° | 176.4° |
| F3 | C29 | C30 | C32 | 6.8° | 5.6° |
| F3 | C29 | C28 | H30 | 2.6° | 1.8° |
| C29 | C30 | C31 | C32 | 176.0° | 177.9° |
| C29 | C30 | C32 | C33 | 108.8° | 17.1° |
| C30 | C29 | C28 | H30 | 178.4° | 178.1° |
| C29 | C30 | C32 | H31 | 131.4° | 103.2° |
| C29 | C30 | C32 | H32 | 11.0° | 137.4° |
| C31 | C30 | C32 | C33 | 67.4° | 160.8° |
| C31 | C30 | C32 | H31 | 52.4° | 78.9° |
| C31 | C30 | C32 | H32 | 172.8° | 40.6° |
| C30 | C32 | C33 | H31 | 119.8° | 120.3° |
| C30 | C32 | C33 | H32 | 119.8° | 120.2° |
| C30 | C32 | C33 | C34 | 164.8° | 110.9° |
| C30 | C32 | H31 | H32 | 120.5° | 119.5° |
| C30 | C32 | C33 | H33 | 44.1° | 128.8° |
| C30 | C32 | C33 | H34 | 74.6° | 9.3° |
| C32 | C33 | C34 | H33 | 120.6° | 120.2° |
| C32 | C33 | C34 | H34 | 120.6° | 120.2° |
| C32 | C33 | C34 | O3 | 64.7° | 76.0° |
| C33 | C32 | H31 | H32 | 120.6° | 119.5° |
| C32 | C33 | H33 | H34 | 118.0° | 119.7° |
| C32 | C33 | C34 | H35 | 55.9° | 44.3° |
| C32 | C33 | C34 | H36 | 174.8° | 163.8° |
| C33 | C34 | O3 | H35 | 120.6° | 120.3° |
| C33 | C34 | O3 | H36 | 120.6° | 120.3° |
| C33 | C34 | O3 | C35 | 120.5° | 114.1° |
| C34 | C33 | C32 | H31 | 75.4° | 9.4° |
| C34 | C33 | C32 | H32 | 45.0° | 128.9° |
| C34 | C33 | H33 | H34 | 118.0° | 119.7° |
| C33 | C34 | H35 | H36 | 118.3° | 119.6° |
| C34 | O3 | C35 | O4 | 14.1° | 9.5° |
| C34 | O3 | C35 | N6 | 163.3° | 170.5° |
| O3 | C34 | C33 | H33 | 174.7° | 44.2° |
| O3 | C34 | C33 | H34 | 56.0° | 163.8° |
| O3 | C34 | H35 | H36 | 118.3° | 119.5° |
| O3 | C35 | O4 | N6 | 176.9° | 180.0° |
| C35 | O3 | C34 | H35 | 0.1° | 125.6° |
| C35 | O3 | C34 | H36 | 119.0° | 6.2° |
| O3 | C35 | N6 | H37 | 146.4° | 174.2° |
| O4 | C35 | N6 | H37 | 36.4° | 5.7° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C3 | C4 | H6 | 54.2° | 52.3° |
| H4 | C3 | C4 | H7 | 65.3° | 67.7° |
| H5 | C3 | C4 | H6 | 173.3° | 172.7° |
| H5 | C3 | C4 | H7 | 53.8° | 52.7° |
| H14 | C11 | C12 | H16 | 26.5° | 159.1° |
| H14 | C11 | C12 | H17 | 148.3° | 35.3° |
| H15 | C11 | C12 | H16 | 94.8° | 36.1° |
| H15 | C11 | C12 | H17 | 27.0° | 87.7° |
| H16 | C12 | C13 | H18 | 29.4° | 38.0° |
| H16 | C12 | C13 | H19 | 91.7° | 160.3° |
| H17 | C12 | C13 | H18 | 151.2° | 85.7° |
| H17 | C12 | C13 | H19 | 30.1° | 36.6° |
| H20 | C14 | C15 | H22 | 87.2° | 36.5° |
| H21 | C14 | C15 | H22 | 33.9° | 85.7° |
| H22 | C15 | C16 | H23 | 29.5° | 87.8° |
| H22 | C15 | C16 | H24 | 91.8° | 35.2° |
| H29 | C27 | C28 | H30 | 3.9° | 0.6° |
| H31 | C32 | C33 | H33 | 164.0° | 110.9° |
| H31 | C32 | C33 | H34 | 45.2° | 129.6° |
| H32 | C32 | C33 | H33 | 75.7° | 8.6° |
| H32 | C32 | C33 | H34 | 165.6° | 111.0° |
| H33 | C33 | C34 | H35 | 64.7° | 164.5° |
| H33 | C33 | C34 | H36 | 54.1° | 76.0° |
| H34 | C33 | C34 | H35 | 176.6° | 75.9° |
| H34 | C33 | C34 | H36 | 64.6° | 43.6° |
| H6 | C4 | C5 | H8 | 51.8° | 62.8° |
| H6 | C4 | C5 | H9 | 171.2° | 177.8° |
| H7 | C4 | C5 | H8 | 67.8° | 57.2° |
| H7 | C4 | C5 | H9 | 51.6° | 62.2° |
