J5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.50Å | |
| F | C32 | sing | 1.35Å | 1.29Å | |
| N | C6 | sing | 1.40Å | 1.39Å | |
| N | C7 | sing | 1.47Å | 1.44Å | |
| N | C10 | sing | 1.47Å | 1.44Å | |
| O | C15 | doub | 1.22Å | 1.21Å | |
| CL | C4 | sing | 1.74Å | 1.80Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.49Å | Aromatic |
| N1 | C8 | sing | 1.47Å | 1.45Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| N1 | C11 | sing | 1.39Å | 1.40Å | |
| O1 | C26 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C15 | sing | 1.35Å | 1.30Å | |
| N2 | C16 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C19 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C20 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C26 | sing | 1.35Å | 1.35Å | |
| N4 | C27 | sing | 1.39Å | 1.35Å | |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| N5 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C30 | sing | 1.32Å | 1.33Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.47Å | 1.49Å | |
| C14 | C32 | sing | 1.40Å | 1.48Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C26 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | doub | 1.34Å | 1.38Å | Aromatic |
| C18 | C25 | sing | 1.47Å | 1.47Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.41Å | 1.46Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.37Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 118.5° | 120.0° |
| C | C1 | C6 | 123.0° | 120.0° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | HA | 109.5° | 109.5° |
| C1 | C | HB | 109.5° | 109.5° |
| F | C32 | C14 | 122.5° | 120.1° |
| F | C32 | C33 | 116.9° | 120.1° |
| C6 | N | C7 | 122.2° | 111.0° |
| C6 | N | C10 | 115.7° | 111.0° |
| N | C6 | C1 | 123.7° | 120.0° |
| N | C6 | C5 | 117.1° | 120.1° |
| C7 | N | C10 | 121.9° | 110.9° |
| N | C7 | C8 | 108.7° | 109.4° |
| N | C7 | H7 | 109.7° | 109.5° |
| N | C7 | H7A | 109.7° | 109.5° |
| N | C10 | C9 | 112.1° | 109.4° |
| N | C10 | H10 | 108.8° | 109.4° |
| N | C10 | H10A | 108.8° | 109.5° |
| O | C15 | N2 | 119.9° | 120.0° |
| O | C15 | C14 | 116.6° | 120.0° |
| CL | C4 | C3 | 122.1° | 120.0° |
| CL | C4 | C5 | 116.4° | 119.9° |
| C2 | C1 | C6 | 118.5° | 119.9° |
| C1 | C2 | C3 | 120.0° | 120.1° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | C6 | C5 | 119.0° | 119.9° |
| C8 | N1 | C9 | 120.7° | 110.9° |
| C8 | N1 | C11 | 122.3° | 111.0° |
| N1 | C8 | C7 | 105.0° | 109.4° |
| N1 | C8 | H8 | 110.6° | 109.5° |
| N1 | C8 | H8A | 110.6° | 109.5° |
| C9 | N1 | C11 | 117.0° | 111.0° |
| N1 | C9 | C10 | 111.8° | 109.4° |
| N1 | C9 | H9 | 108.9° | 109.5° |
| N1 | C9 | H9A | 108.9° | 109.5° |
| N1 | C11 | C12 | 119.9° | 119.9° |
| N1 | C11 | C33 | 120.2° | 119.9° |
| O1 | C26 | N4 | 123.0° | 120.0° |
| O1 | C26 | C16 | 119.2° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.1° |
| C3 | C2 | H2 | 120.0° | 119.9° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C15 | N2 | C16 | 120.6° | 120.0° |
| N2 | C15 | C14 | 123.0° | 120.0° |
| C15 | N2 | HN2 | 119.7° | 120.0° |
| N2 | C16 | C17 | 109.5° | 109.4° |
| N2 | C16 | C26 | 110.2° | 109.5° |
| C16 | N2 | HN2 | 119.7° | 120.0° |
| N2 | C16 | H16 | 108.2° | 109.4° |
| C3 | C4 | C5 | 121.5° | 120.1° |
| C4 | C3 | H3 | 119.6° | 119.9° |
| C19 | N3 | C20 | 112.4° | 109.9° |
| N3 | C19 | C18 | 109.9° | 110.0° |
| C19 | N3 | HN3 | 123.8° | 125.1° |
| N3 | C19 | H19 | 125.1° | 125.0° |
| N3 | C20 | C21 | 134.2° | 133.5° |
| N3 | C20 | C25 | 106.4° | 107.1° |
| C20 | N3 | HN3 | 123.8° | 125.0° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C4 | C5 | H5 | 120.0° | 120.1° |
| C26 | N4 | C27 | 123.3° | 120.0° |
| N4 | C26 | C16 | 117.8° | 120.0° |
| C26 | N4 | HN4 | 118.4° | 119.9° |
| N4 | C27 | C28 | 116.9° | 120.9° |
| N4 | C27 | C31 | 126.1° | 120.9° |
| C27 | N4 | HN4 | 118.3° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C29 | N5 | C30 | 118.3° | 121.9° |
| N5 | C29 | C28 | 122.6° | 120.9° |
| N5 | C29 | H29 | 118.7° | 119.6° |
| N5 | C30 | C31 | 122.1° | 120.8° |
| N5 | C30 | H30 | 119.0° | 119.6° |
| C8 | C7 | H7 | 109.7° | 109.5° |
| C8 | C7 | H7A | 109.7° | 109.5° |
| C7 | C8 | H8 | 110.6° | 109.5° |
| C7 | C8 | H8A | 110.6° | 109.5° |
| C10 | C9 | H9 | 108.9° | 109.5° |
| C10 | C9 | H9A | 108.9° | 109.5° |
| C9 | C10 | H10 | 108.8° | 109.5° |
| C9 | C10 | H10A | 108.8° | 109.5° |
| C12 | C11 | C33 | 119.9° | 120.2° |
| C11 | C12 | C13 | 120.5° | 120.2° |
| C11 | C12 | H12 | 119.7° | 119.9° |
| C11 | C33 | C32 | 120.8° | 119.9° |
| C11 | C33 | H33 | 119.6° | 120.1° |
| C12 | C13 | C14 | 121.7° | 120.1° |
| C13 | C12 | H12 | 119.8° | 119.9° |
| C12 | C13 | H13 | 119.1° | 119.9° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C13 | C14 | C32 | 116.5° | 119.8° |
| C14 | C13 | H13 | 119.2° | 119.9° |
| C15 | C14 | C32 | 123.5° | 120.1° |
| C14 | C32 | C33 | 120.6° | 119.8° |
| C17 | C16 | C26 | 114.7° | 109.5° |
| C16 | C17 | C18 | 106.1° | 109.5° |
| C17 | C16 | H16 | 107.0° | 109.5° |
| C16 | C17 | H17 | 110.3° | 109.5° |
| C16 | C17 | H17A | 110.3° | 109.5° |
| C26 | C16 | H16 | 107.0° | 109.5° |
| C17 | C18 | C19 | 126.3° | 126.5° |
| C17 | C18 | C25 | 128.1° | 126.4° |
| C18 | C17 | H17 | 110.3° | 109.5° |
| C18 | C17 | H17A | 110.3° | 109.5° |
| C19 | C18 | C25 | 105.4° | 107.1° |
| C18 | C19 | H19 | 125.0° | 125.1° |
| C18 | C25 | C20 | 105.9° | 106.0° |
| C18 | C25 | C24 | 133.8° | 134.1° |
| C21 | C20 | C25 | 119.4° | 119.3° |
| C20 | C21 | C22 | 119.3° | 119.8° |
| C20 | C21 | H21 | 120.4° | 120.1° |
| C20 | C25 | C24 | 120.3° | 119.9° |
| C21 | C22 | C23 | 120.5° | 120.7° |
| C22 | C21 | H21 | 120.4° | 120.1° |
| C21 | C22 | H22 | 119.8° | 119.7° |
| C22 | C23 | C24 | 121.9° | 120.5° |
| C23 | C22 | H22 | 119.8° | 119.7° |
| C22 | C23 | H23 | 119.1° | 119.8° |
| C23 | C24 | C25 | 118.6° | 119.8° |
| C24 | C23 | H23 | 119.0° | 119.7° |
| C23 | C24 | H24 | 120.7° | 120.1° |
| C25 | C24 | H24 | 120.7° | 120.1° |
| C28 | C27 | C31 | 116.7° | 118.2° |
| C27 | C28 | C29 | 120.8° | 119.1° |
| C27 | C28 | H28 | 119.6° | 120.4° |
| C27 | C31 | C30 | 119.5° | 119.1° |
| C27 | C31 | H31 | 120.2° | 120.5° |
| C29 | C28 | H28 | 119.6° | 120.5° |
| C28 | C29 | H29 | 118.7° | 119.6° |
| C31 | C30 | H30 | 118.9° | 119.6° |
| C30 | C31 | H31 | 120.3° | 120.4° |
| C32 | C33 | H33 | 119.6° | 120.0° |
| H | C | HA | 109.5° | 109.4° |
| H | C | HB | 109.5° | 109.5° |
| HA | C | HB | 109.5° | 109.4° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| H10 | C10 | H10A | 109.4° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C6 | N | 4.8° | 0.1° |
| C | C1 | C2 | C6 | 178.7° | 179.8° |
| C | C1 | C2 | C3 | 179.7° | 180.0° |
| C | C1 | C6 | C5 | 179.4° | 179.7° |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 120.1° |
| C1 | C | HA | HB | 120.0° | 120.0° |
| C | C1 | C2 | H2 | 0.3° | 0.0° |
| F | C32 | C33 | C11 | 179.0° | 179.7° |
| F | C32 | C14 | C13 | 177.5° | 180.0° |
| F | C32 | C14 | C15 | 3.8° | 0.1° |
| F | C32 | C14 | C33 | 179.4° | 179.8° |
| F | C32 | C33 | H33 | 1.0° | 0.1° |
| C6 | N | C7 | C10 | 175.9° | 123.8° |
| N | C6 | C1 | C2 | 176.6° | 179.7° |
| N | C6 | C1 | C5 | 174.6° | 179.8° |
| N | C6 | C5 | C4 | 176.5° | 179.7° |
| C6 | N | C7 | C8 | 160.3° | 176.9° |
| C6 | N | C10 | C9 | 148.0° | 176.8° |
| N | C6 | C5 | H5 | 3.5° | 0.1° |
| C6 | N | C7 | H7 | 79.8° | 63.2° |
| C6 | N | C7 | H7A | 40.4° | 56.8° |
| C6 | N | C10 | H10 | 91.6° | 56.9° |
| C6 | N | C10 | H10A | 27.6° | 63.2° |
| C7 | N | C6 | C1 | 144.8° | 120.0° |
| N | C7 | C8 | N1 | 60.2° | 58.4° |
| C7 | N | C6 | C5 | 40.5° | 60.3° |
| N | C7 | C8 | H7 | 119.9° | 119.9° |
| N | C7 | C8 | H7A | 119.9° | 120.0° |
| C7 | N | C10 | C9 | 28.1° | 59.3° |
| N | C7 | H7 | H7A | 120.4° | 120.0° |
| N | C7 | C8 | H8 | 59.1° | 61.6° |
| N | C7 | C8 | H8A | 179.5° | 178.4° |
| C7 | N | C10 | H10 | 92.3° | 179.3° |
| C7 | N | C10 | H10A | 148.5° | 60.7° |
| C10 | N | C6 | C1 | 39.1° | 116.2° |
| N | C10 | C9 | N1 | 40.4° | 58.4° |
| C10 | N | C6 | C5 | 135.6° | 63.5° |
| C10 | N | C7 | C8 | 23.9° | 59.3° |
| N | C10 | C9 | H10 | 120.4° | 119.9° |
| N | C10 | C9 | H10A | 120.4° | 120.0° |
| C10 | N | C7 | H7 | 96.0° | 60.7° |
| C10 | N | C7 | H7A | 143.7° | 179.3° |
| N | C10 | C9 | H9 | 79.9° | 178.4° |
| N | C10 | C9 | H9A | 160.8° | 61.5° |
| N | C10 | H10 | H10A | 118.8° | 120.1° |
| O | C15 | N2 | C14 | 171.1° | 180.0° |
| O | C15 | N2 | C16 | 1.2° | 0.1° |
| O | C15 | C14 | C13 | 29.1° | 180.0° |
| O | C15 | C14 | C32 | 144.5° | 0.1° |
| O | C15 | N2 | HN2 | 178.8° | 180.0° |
| CL | C4 | C3 | C2 | 179.5° | 180.0° |
| CL | C4 | C3 | C5 | 179.9° | 180.0° |
| CL | C4 | C5 | C6 | 179.1° | 179.7° |
| CL | C4 | C3 | H3 | 0.5° | 0.0° |
| CL | C4 | C5 | H5 | 0.9° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | C1 | C6 | C5 | 2.0° | 0.5° |
| C2 | C1 | C | H | 90.6° | 90.0° |
| C2 | C1 | C | HA | 149.4° | 150.0° |
| C2 | C1 | C | HB | 29.4° | 30.0° |
| C1 | C2 | C3 | H3 | 179.1° | 180.0° |
| C6 | C1 | C2 | C3 | 1.6° | 0.3° |
| C1 | C6 | C5 | C4 | 1.5° | 0.6° |
| C6 | C1 | C | H | 90.7° | 90.2° |
| C6 | C1 | C | HA | 29.3° | 29.8° |
| C6 | C1 | C | HB | 149.3° | 149.8° |
| C6 | C1 | C2 | H2 | 178.4° | 179.7° |
| C1 | C6 | C5 | H5 | 178.5° | 179.7° |
| C8 | N1 | C9 | C11 | 178.2° | 123.9° |
| N1 | C8 | C7 | H8 | 119.3° | 119.9° |
| N1 | C8 | C7 | H8A | 119.3° | 120.0° |
| C8 | N1 | C9 | C10 | 0.6° | 59.3° |
| C8 | N1 | C11 | C12 | 172.6° | 180.0° |
| C8 | N1 | C11 | C33 | 9.1° | 0.2° |
| N1 | C8 | C7 | H7 | 59.7° | 61.6° |
| N1 | C8 | C7 | H7A | 179.9° | 178.3° |
| N1 | C8 | H8 | H8A | 122.1° | 120.1° |
| C8 | N1 | C9 | H9 | 119.7° | 179.3° |
| C8 | N1 | C9 | H9A | 121.0° | 60.7° |
| C9 | N1 | C8 | C7 | 50.1° | 59.3° |
| N1 | C9 | C10 | H9 | 120.4° | 119.9° |
| N1 | C9 | C10 | H9A | 120.4° | 119.9° |
| C9 | N1 | C11 | C12 | 9.2° | 56.2° |
| C9 | N1 | C11 | C33 | 169.1° | 124.1° |
| C9 | N1 | C8 | H8 | 69.2° | 60.7° |
| C9 | N1 | C8 | H8A | 169.3° | 179.3° |
| N1 | C9 | H9 | H9A | 118.9° | 120.0° |
| N1 | C9 | C10 | H10 | 80.0° | 178.3° |
| N1 | C9 | C10 | H10A | 160.8° | 61.6° |
| C11 | N1 | C8 | C7 | 128.1° | 176.8° |
| C11 | N1 | C9 | C10 | 178.9° | 176.8° |
| N1 | C11 | C12 | C33 | 178.3° | 179.7° |
| N1 | C11 | C12 | C13 | 179.8° | 180.0° |
| N1 | C11 | C33 | C32 | 178.5° | 179.8° |
| C11 | N1 | C8 | H8 | 112.6° | 63.2° |
| C11 | N1 | C8 | H8A | 8.8° | 56.8° |
| C11 | N1 | C9 | H9 | 58.5° | 56.8° |
| C11 | N1 | C9 | H9A | 60.8° | 63.2° |
| N1 | C11 | C12 | H12 | 0.2° | 0.1° |
| N1 | C11 | C33 | H33 | 1.5° | 0.0° |
| O1 | C26 | C16 | N2 | 148.2° | 0.0° |
| O1 | C26 | N4 | C16 | 179.2° | 180.0° |
| O1 | C26 | N4 | C27 | 10.8° | 4.7° |
| O1 | C26 | C16 | C17 | 87.7° | 120.0° |
| O1 | C26 | N4 | HN4 | 169.3° | 175.3° |
| O1 | C26 | C16 | H16 | 30.8° | 120.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C15 | N2 | C16 | HN2 | 180.0° | 179.9° |
| N2 | C15 | C14 | C13 | 159.5° | 0.0° |
| N2 | C15 | C14 | C32 | 26.9° | 179.9° |
| C15 | N2 | C16 | C17 | 149.9° | 155.0° |
| C15 | N2 | C16 | C26 | 83.0° | 85.0° |
| C15 | N2 | C16 | H16 | 33.7° | 35.1° |
| N2 | C16 | C26 | N4 | 32.6° | 180.0° |
| C16 | N2 | C15 | C14 | 170.0° | 179.9° |
| N2 | C16 | C17 | C26 | 124.5° | 120.0° |
| N2 | C16 | C17 | H16 | 117.0° | 119.9° |
| N2 | C16 | C26 | H16 | 117.4° | 120.0° |
| N2 | C16 | C17 | C18 | 64.8° | 65.0° |
| N2 | C16 | C17 | H17 | 54.6° | 175.0° |
| N2 | C16 | C17 | H17A | 175.7° | 55.1° |
| C3 | C4 | C5 | C6 | 0.8° | 0.3° |
| C4 | C3 | C2 | H2 | 179.1° | 180.0° |
| C3 | C4 | C5 | H5 | 179.2° | 179.9° |
| C19 | N3 | C20 | HN3 | 180.0° | 179.7° |
| N3 | C19 | C18 | C17 | 176.6° | 179.9° |
| N3 | C19 | C18 | H19 | 180.0° | 180.0° |
| N3 | C19 | C18 | C25 | 0.5° | 0.0° |
| C19 | N3 | C20 | C21 | 179.8° | 180.0° |
| C19 | N3 | C20 | C25 | 0.2° | 0.0° |
| C20 | N3 | C19 | C18 | 0.5° | 0.0° |
| N3 | C20 | C25 | C18 | 0.2° | 0.0° |
| N3 | C20 | C21 | C25 | 179.9° | 180.0° |
| N3 | C20 | C21 | C22 | 179.8° | 180.0° |
| N3 | C20 | C25 | C24 | 178.9° | 180.0° |
| C20 | N3 | C19 | H19 | 179.6° | 180.0° |
| N3 | C20 | C21 | H21 | 0.2° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C26 | N4 | C27 | HN4 | 180.0° | 180.0° |
| N4 | C26 | C16 | C17 | 91.6° | 60.0° |
| C26 | N4 | C27 | C28 | 153.2° | 34.9° |
| C26 | N4 | C27 | C31 | 20.6° | 145.0° |
| N4 | C26 | C16 | H16 | 150.0° | 60.0° |
| C27 | N4 | C26 | C16 | 168.4° | 175.4° |
| N4 | C27 | C28 | C31 | 174.4° | 179.9° |
| N4 | C27 | C28 | C29 | 175.7° | 180.0° |
| N4 | C27 | C31 | C30 | 174.8° | 180.0° |
| N4 | C27 | C28 | H28 | 4.3° | 0.0° |
| N4 | C27 | C31 | H31 | 5.2° | 0.1° |
| N5 | C29 | C28 | C27 | 1.1° | 0.0° |
| N5 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | N5 | C30 | C31 | 0.1° | 0.1° |
| N5 | C29 | C28 | H28 | 178.9° | 180.0° |
| C29 | N5 | C30 | H30 | 179.8° | 180.0° |
| N5 | C30 | C31 | C27 | 0.4° | 0.0° |
| C30 | N5 | C29 | C28 | 0.5° | 0.1° |
| N5 | C30 | C31 | H30 | 180.0° | 179.9° |
| C30 | N5 | C29 | H29 | 179.5° | 180.0° |
| N5 | C30 | C31 | H31 | 179.6° | 179.9° |
| C8 | C7 | H7 | H7A | 120.4° | 120.1° |
| C7 | C8 | H8 | H8A | 122.0° | 120.0° |
| C10 | C9 | H9 | H9A | 118.9° | 120.1° |
| C9 | C10 | H10 | H10A | 118.8° | 120.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 3.1° | 0.0° |
| C12 | C11 | C33 | C32 | 0.2° | 0.5° |
| C11 | C12 | C13 | H13 | 176.9° | 180.0° |
| C12 | C11 | C33 | H33 | 179.8° | 179.7° |
| C33 | C11 | C12 | C13 | 1.4° | 0.3° |
| C11 | C33 | C32 | C14 | 0.4° | 0.5° |
| C11 | C33 | C32 | H33 | 180.0° | 179.8° |
| C33 | C11 | C12 | H12 | 178.6° | 179.8° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 177.2° | 179.9° |
| C12 | C13 | C14 | C32 | 3.2° | 0.0° |
| C13 | C14 | C15 | C32 | 173.6° | 179.9° |
| C13 | C14 | C32 | C33 | 1.9° | 0.2° |
| C14 | C13 | C12 | H12 | 176.9° | 179.9° |
| C15 | C14 | C32 | C33 | 175.6° | 179.7° |
| C14 | C15 | N2 | HN2 | 10.0° | 0.0° |
| C15 | C14 | C13 | H13 | 2.8° | 0.1° |
| C32 | C14 | C13 | H13 | 176.8° | 180.0° |
| C14 | C32 | C33 | H33 | 179.6° | 179.8° |
| C17 | C16 | C26 | H16 | 118.5° | 120.0° |
| C16 | C17 | C18 | H17 | 119.5° | 120.0° |
| C16 | C17 | C18 | H17A | 119.5° | 120.1° |
| C16 | C17 | C18 | C19 | 81.7° | 95.0° |
| C16 | C17 | C18 | C25 | 93.5° | 84.9° |
| C17 | C16 | N2 | HN2 | 30.1° | 25.1° |
| C16 | C17 | H17 | H17A | 121.6° | 120.0° |
| C26 | C16 | C17 | C18 | 59.7° | 175.0° |
| C26 | C16 | N2 | HN2 | 97.0° | 95.0° |
| C16 | C26 | N4 | HN4 | 11.5° | 4.6° |
| C26 | C16 | C17 | H17 | 179.1° | 55.0° |
| C26 | C16 | C17 | H17A | 59.8° | 65.0° |
| C17 | C18 | C19 | C25 | 176.1° | 179.9° |
| C17 | C18 | C25 | C20 | 176.4° | 179.9° |
| C17 | C18 | C25 | C24 | 2.5° | 0.1° |
| C18 | C17 | C16 | H16 | 178.2° | 55.0° |
| C18 | C17 | H17 | H17A | 121.6° | 120.0° |
| C17 | C18 | C19 | H19 | 3.4° | 0.1° |
| C19 | C18 | C25 | C20 | 0.4° | 0.0° |
| C19 | C18 | C25 | C24 | 178.5° | 180.0° |
| C18 | C19 | N3 | HN3 | 179.6° | 179.7° |
| C19 | C18 | C17 | H17 | 37.8° | 145.0° |
| C19 | C18 | C17 | H17A | 158.9° | 25.1° |
| C18 | C25 | C20 | C21 | 179.9° | 180.0° |
| C18 | C25 | C20 | C24 | 179.1° | 180.0° |
| C18 | C25 | C24 | C23 | 179.4° | 179.9° |
| C25 | C18 | C17 | H17 | 147.1° | 35.1° |
| C25 | C18 | C17 | H17A | 26.0° | 155.0° |
| C25 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | C25 | C24 | H24 | 0.6° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.7° | 0.0° |
| C21 | C20 | C25 | C24 | 1.0° | 0.0° |
| C21 | C20 | N3 | HN3 | 0.2° | 0.3° |
| C20 | C21 | C22 | H22 | 179.2° | 179.9° |
| C25 | C20 | C21 | C22 | 0.3° | 0.0° |
| C20 | C25 | C24 | C23 | 1.8° | 0.0° |
| C25 | C20 | N3 | HN3 | 179.9° | 179.7° |
| C25 | C20 | C21 | H21 | 179.7° | 180.0° |
| C20 | C25 | C24 | H24 | 178.2° | 179.9° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.4° | 0.1° |
| C23 | C22 | C21 | H21 | 179.3° | 180.0° |
| C22 | C23 | C24 | H24 | 178.6° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C24 | C23 | C22 | H22 | 180.0° | 179.9° |
| C25 | C24 | C23 | H23 | 178.6° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C31 | C30 | 1.0° | 0.1° |
| C28 | C27 | N4 | HN4 | 26.8° | 145.1° |
| C27 | C28 | C29 | H29 | 178.9° | 180.0° |
| C28 | C27 | C31 | H31 | 179.0° | 180.0° |
| C31 | C27 | C28 | C29 | 1.3° | 0.1° |
| C27 | C31 | C30 | H31 | 180.0° | 179.9° |
| C31 | C27 | N4 | HN4 | 159.4° | 35.0° |
| C31 | C27 | C28 | H28 | 178.7° | 180.0° |
| C27 | C31 | C30 | H30 | 179.5° | 180.0° |
| H | C | HA | HB | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.9° | 0.0° |
| HN2 | N2 | C16 | H16 | 146.3° | 145.0° |
| HN3 | N3 | C19 | H19 | 0.4° | 0.3° |
| H7 | C7 | C8 | H8 | 179.0° | 178.5° |
| H7 | C7 | C8 | H8A | 59.6° | 58.5° |
| H7A | C7 | C8 | H8 | 60.8° | 58.4° |
| H7A | C7 | C8 | H8A | 60.6° | 61.6° |
| H9 | C9 | C10 | H10 | 159.6° | 61.7° |
| H9 | C9 | C10 | H10A | 40.4° | 58.4° |
| H9A | C9 | C10 | H10 | 40.4° | 58.4° |
| H9A | C9 | C10 | H10A | 78.8° | 178.5° |
| H12 | C12 | C13 | H13 | 3.1° | 0.0° |
| H16 | C16 | C17 | H17 | 62.3° | 65.0° |
| H16 | C16 | C17 | H17A | 58.7° | 175.0° |
| H21 | C21 | C22 | H22 | 0.8° | 0.0° |
| H22 | C22 | C23 | H23 | 0.0° | 0.1° |
| H23 | C23 | C24 | H24 | 1.4° | 0.0° |
| H28 | C28 | C29 | H29 | 1.1° | 0.0° |
| H30 | C30 | C31 | H31 | 0.4° | 0.0° |
