274
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | O4 | doub | 1.23Å | 1.23Å | |
| C22 | C19 | sing | 1.46Å | 1.54Å | |
| C22 | N4 | sing | 1.40Å | 1.34Å | |
| C19 | C18 | sing | 1.41Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C21 | sing | 1.48Å | 1.54Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H211 | sing | 1.10Å | 1.12Å | |
| C21 | H212 | sing | 1.10Å | 1.12Å | |
| C21 | H213 | sing | 1.10Å | 1.11Å | |
| C20 | C23 | sing | 1.48Å | 1.39Å | |
| C20 | N3 | sing | 1.37Å | 1.33Å | Aromatic |
| C23 | H231 | sing | 1.10Å | 1.11Å | |
| C23 | H232 | sing | 1.10Å | 1.12Å | |
| C23 | H233 | sing | 1.10Å | 1.11Å | |
| N3 | C17 | sing | 1.37Å | 1.34Å | Aromatic |
| N3 | H3 | sing | 1.01Å | 1.02Å | |
| C17 | C16 | sing | 1.40Å | 1.40Å | |
| C16 | C14 | doub | 1.35Å | 1.40Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C14 | C12 | sing | 1.46Å | 1.39Å | |
| C14 | C15 | sing | 1.50Å | 1.39Å | |
| C12 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C15 | O3 | doub | 1.22Å | 1.23Å | |
| C15 | N2 | sing | 1.40Å | 1.32Å | |
| N2 | C13 | sing | 1.40Å | 1.33Å | |
| N2 | H2 | sing | 1.01Å | 1.02Å | |
| C13 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C10 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | S1 | sing | 1.75Å | 1.76Å | |
| S1 | O1 | doub | 1.46Å | 1.51Å | |
| S1 | O2 | doub | 1.46Å | 1.49Å | |
| S1 | N1 | sing | 1.74Å | 1.70Å | |
| N1 | C7 | sing | 1.49Å | 1.47Å | |
| N1 | C3 | sing | 1.45Å | 1.35Å | |
| C7 | H7C1 | sing | 1.09Å | 1.11Å | |
| C7 | H7C2 | sing | 1.09Å | 1.11Å | |
| C7 | H7C3 | sing | 1.09Å | 1.12Å | |
| C3 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | CL1 | sing | 1.72Å | 1.72Å | |
| C2 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | C27 | sing | 1.53Å | 1.53Å | |
| C24 | N4 | sing | 1.46Å | 1.49Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.10Å | 1.11Å | |
| C27 | N5 | sing | 1.47Å | 1.47Å | |
| C27 | H271 | sing | 1.10Å | 1.11Å | |
| C27 | H272 | sing | 1.10Å | 1.12Å | |
| N5 | C28 | sing | 1.46Å | 1.47Å | |
| N5 | C26 | sing | 1.47Å | 1.47Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.10Å | 1.11Å | |
| C26 | H262 | sing | 1.10Å | 1.12Å | |
| C25 | N4 | sing | 1.47Å | 1.48Å | |
| C25 | H251 | sing | 1.10Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C22 | C19 | 120.5° | 119.2° |
| O4 | C22 | N4 | 120.5° | 123.5° |
| C19 | C22 | N4 | 118.8° | 117.3° |
| C22 | C19 | C18 | 125.0° | 127.9° |
| C22 | C19 | C20 | 127.9° | 124.5° |
| C22 | N4 | C24 | 121.6° | 119.7° |
| C22 | N4 | C25 | 119.2° | 125.8° |
| C18 | C19 | C20 | 107.1° | 107.6° |
| C19 | C18 | C21 | 125.5° | 126.4° |
| C19 | C18 | C17 | 107.4° | 107.3° |
| C19 | C20 | C23 | 123.3° | 131.3° |
| C19 | C20 | N3 | 107.1° | 107.7° |
| C21 | C18 | C17 | 127.1° | 126.3° |
| C18 | C21 | H211 | 106.6° | 111.0° |
| C18 | C21 | H212 | 106.6° | 111.9° |
| C18 | C21 | H213 | 125.5° | 112.0° |
| C18 | C17 | N3 | 106.6° | 107.9° |
| C18 | C17 | C16 | 120.8° | 134.2° |
| H211 | C21 | H212 | 103.0° | 107.8° |
| H211 | C21 | H213 | 106.6° | 107.8° |
| H212 | C21 | H213 | 106.6° | 106.1° |
| C23 | C20 | N3 | 129.6° | 121.0° |
| C20 | C23 | H231 | 107.3° | 111.1° |
| C20 | C23 | H232 | 107.3° | 112.0° |
| C20 | C23 | H233 | 123.3° | 112.0° |
| C20 | N3 | C17 | 111.8° | 109.6° |
| C20 | N3 | H3 | 111.4° | 124.9° |
| H231 | C23 | H232 | 102.4° | 107.7° |
| H231 | C23 | H233 | 107.3° | 107.7° |
| H232 | C23 | H233 | 107.3° | 106.0° |
| C17 | N3 | H3 | 111.3° | 125.6° |
| N3 | C17 | C16 | 132.5° | 117.9° |
| C17 | C16 | C14 | 125.6° | 125.5° |
| C17 | C16 | H16 | 117.2° | 119.3° |
| C14 | C16 | H16 | 117.2° | 115.2° |
| C16 | C14 | C12 | 124.6° | 128.5° |
| C16 | C14 | C15 | 129.2° | 123.3° |
| C12 | C14 | C15 | 106.2° | 108.2° |
| C14 | C12 | C9 | 133.7° | 133.5° |
| C14 | C12 | C13 | 106.2° | 105.8° |
| C14 | C15 | O3 | 128.0° | 126.8° |
| C14 | C15 | N2 | 109.5° | 104.2° |
| C9 | C12 | C13 | 120.1° | 120.7° |
| C12 | C9 | C8 | 119.8° | 117.9° |
| C12 | C9 | H9 | 120.0° | 121.2° |
| C12 | C13 | N2 | 109.0° | 110.6° |
| C12 | C13 | C11 | 120.0° | 122.4° |
| C8 | C9 | H9 | 120.2° | 120.9° |
| C9 | C8 | C10 | 119.8° | 121.0° |
| C9 | C8 | S1 | 120.6° | 119.6° |
| O3 | C15 | N2 | 122.5° | 129.0° |
| C15 | N2 | C13 | 109.2° | 111.3° |
| C15 | N2 | H2 | 124.9° | 125.2° |
| C13 | N2 | H2 | 125.9° | 123.5° |
| N2 | C13 | C11 | 131.1° | 127.1° |
| C13 | C11 | C10 | 120.1° | 117.3° |
| C13 | C11 | H11 | 120.0° | 121.9° |
| C10 | C11 | H11 | 119.9° | 120.9° |
| C11 | C10 | C8 | 120.2° | 120.8° |
| C11 | C10 | H10 | 119.7° | 119.1° |
| C8 | C10 | H10 | 120.1° | 120.1° |
| C10 | C8 | S1 | 119.6° | 119.4° |
| C8 | S1 | O1 | 109.5° | 107.9° |
| C8 | S1 | O2 | 109.9° | 107.9° |
| C8 | S1 | N1 | 107.1° | 103.8° |
| O1 | S1 | O2 | 110.5° | 118.3° |
| O1 | S1 | N1 | 105.2° | 108.6° |
| O2 | S1 | N1 | 114.5° | 109.3° |
| S1 | N1 | C7 | 119.2° | 117.2° |
| S1 | N1 | C3 | 123.6° | 115.8° |
| C7 | N1 | C3 | 117.2° | 116.2° |
| N1 | C7 | H7C1 | 108.7° | 110.1° |
| N1 | C7 | H7C2 | 108.7° | 110.2° |
| N1 | C7 | H7C3 | 119.2° | 110.2° |
| N1 | C3 | C1 | 118.8° | 119.3° |
| N1 | C3 | C6 | 121.7° | 119.2° |
| H7C1 | C7 | H7C2 | 101.3° | 108.8° |
| H7C1 | C7 | H7C3 | 108.8° | 108.8° |
| H7C2 | C7 | H7C3 | 108.7° | 108.7° |
| C1 | C3 | C6 | 119.5° | 121.6° |
| C3 | C1 | C2 | 120.0° | 119.2° |
| C3 | C1 | H1 | 120.1° | 120.5° |
| C3 | C6 | C5 | 120.4° | 119.2° |
| C3 | C6 | H6 | 120.1° | 121.4° |
| C2 | C1 | H1 | 119.9° | 120.3° |
| C1 | C2 | CL1 | 117.7° | 120.0° |
| C1 | C2 | C4 | 121.0° | 120.0° |
| CL1 | C2 | C4 | 121.3° | 120.0° |
| C2 | C4 | C5 | 119.4° | 120.0° |
| C2 | C4 | H4 | 120.2° | 120.8° |
| C5 | C4 | H4 | 120.4° | 119.2° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.0° |
| C5 | C6 | H6 | 119.5° | 119.4° |
| C27 | C24 | N4 | 111.1° | 111.4° |
| C27 | C24 | H241 | 111.6° | 109.8° |
| C27 | C24 | H242 | 111.6° | 110.4° |
| C24 | C27 | N5 | 110.9° | 110.6° |
| C24 | C27 | H271 | 111.7° | 108.6° |
| C24 | C27 | H272 | 111.7° | 109.8° |
| N4 | C24 | H241 | 111.6° | 110.9° |
| N4 | C24 | H242 | 111.6° | 107.0° |
| C24 | N4 | C25 | 119.2° | 114.5° |
| H241 | C24 | H242 | 98.8° | 107.2° |
| N5 | C27 | H271 | 111.7° | 109.8° |
| N5 | C27 | H272 | 111.7° | 110.5° |
| C27 | N5 | C28 | 108.2° | 110.6° |
| C27 | N5 | C26 | 108.2° | 110.4° |
| H271 | C27 | H272 | 98.7° | 107.5° |
| C28 | N5 | C26 | 108.3° | 110.6° |
| N5 | C28 | H281 | 112.7° | 110.1° |
| N5 | C28 | H282 | 112.7° | 110.2° |
| N5 | C28 | H283 | 108.2° | 110.2° |
| N5 | C26 | C25 | 108.6° | 111.1° |
| N5 | C26 | H261 | 112.5° | 110.3° |
| N5 | C26 | H262 | 112.5° | 109.8° |
| H281 | C28 | H282 | 97.8° | 108.7° |
| H281 | C28 | H283 | 112.7° | 108.8° |
| H282 | C28 | H283 | 112.7° | 108.7° |
| C25 | C26 | H261 | 112.5° | 109.5° |
| C25 | C26 | H262 | 112.5° | 108.6° |
| C26 | C25 | N4 | 108.4° | 111.2° |
| C26 | C25 | H251 | 112.6° | 110.5° |
| C26 | C25 | H252 | 112.6° | 109.5° |
| H261 | C26 | H262 | 97.9° | 107.5° |
| N4 | C25 | H251 | 112.6° | 107.0° |
| N4 | C25 | H252 | 112.6° | 111.0° |
| H251 | C25 | H252 | 97.8° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C22 | C19 | N4 | 174.0° | 179.9° |
| O4 | C22 | C19 | C18 | 68.9° | 90.0° |
| O4 | C22 | C19 | C20 | 111.5° | 90.0° |
| O4 | C22 | N4 | C24 | 3.8° | 0.0° |
| O4 | C22 | N4 | C25 | 177.2° | 177.0° |
| C22 | C19 | C18 | C20 | 179.7° | 180.0° |
| C22 | C19 | C18 | C21 | 0.3° | 0.0° |
| C22 | C19 | C18 | C17 | 179.9° | 180.0° |
| C22 | C19 | C20 | C23 | 0.3° | 0.0° |
| C22 | C19 | C20 | N3 | 179.9° | 180.0° |
| C19 | C22 | N4 | C24 | 177.8° | 180.0° |
| C19 | C22 | N4 | C25 | 3.2° | 3.0° |
| N4 | C22 | C19 | C18 | 105.1° | 90.0° |
| N4 | C22 | C19 | C20 | 74.6° | 90.0° |
| C22 | N4 | C24 | C27 | 139.2° | 131.9° |
| C22 | N4 | C24 | C25 | 179.0° | 177.4° |
| C22 | N4 | C24 | H241 | 95.6° | 9.3° |
| C22 | N4 | C24 | H242 | 13.9° | 107.4° |
| C22 | N4 | C25 | C26 | 133.8° | 132.9° |
| C22 | N4 | C25 | H251 | 8.5° | 106.3° |
| C22 | N4 | C25 | H252 | 101.0° | 10.8° |
| C19 | C18 | C21 | C17 | 179.8° | 180.0° |
| C19 | C18 | C21 | H211 | 54.7° | 140.0° |
| C19 | C18 | C21 | H212 | 54.7° | 19.5° |
| C19 | C18 | C21 | H213 | 180.0° | 99.5° |
| C18 | C19 | C20 | C23 | 180.0° | 180.0° |
| C18 | C19 | C20 | N3 | 0.2° | 0.0° |
| C19 | C18 | C17 | N3 | 0.1° | 0.0° |
| C19 | C18 | C17 | C16 | 179.9° | 180.0° |
| C20 | C19 | C18 | C21 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C23 | N3 | 179.8° | 180.0° |
| C19 | C20 | C23 | H231 | 54.7° | 136.7° |
| C19 | C20 | C23 | H232 | 54.7° | 16.3° |
| C19 | C20 | C23 | H233 | 180.0° | 102.7° |
| C19 | C20 | N3 | C17 | 0.1° | 0.0° |
| C19 | C20 | N3 | H3 | 125.4° | 179.9° |
| C18 | C21 | H211 | H212 | 112.0° | 122.9° |
| C18 | C21 | H211 | H213 | 136.1° | 123.0° |
| C18 | C21 | H212 | H213 | 136.1° | 122.4° |
| C21 | C18 | C17 | N3 | 179.9° | 180.0° |
| C21 | C18 | C17 | C16 | 0.3° | 0.0° |
| C17 | C18 | C21 | H211 | 125.0° | 40.0° |
| C17 | C18 | C21 | H212 | 125.5° | 160.5° |
| C17 | C18 | C21 | H213 | 0.2° | 80.5° |
| C18 | C17 | N3 | C20 | 0.0° | 0.0° |
| C18 | C17 | N3 | C16 | 179.8° | 180.0° |
| C18 | C17 | N3 | H3 | 125.3° | 179.9° |
| C18 | C17 | C16 | C14 | 157.1° | 88.3° |
| C18 | C17 | C16 | H16 | 22.9° | 90.0° |
| H211 | C21 | H212 | H213 | 112.0° | 115.2° |
| C20 | C23 | H231 | H232 | 112.8° | 123.0° |
| C20 | C23 | H231 | H233 | 134.4° | 123.1° |
| C20 | C23 | H232 | H233 | 134.4° | 122.5° |
| C23 | C20 | N3 | C17 | 180.0° | 180.0° |
| C23 | C20 | N3 | H3 | 54.8° | 0.1° |
| N3 | C20 | C23 | H231 | 125.4° | 43.3° |
| N3 | C20 | C23 | H232 | 125.1° | 163.7° |
| N3 | C20 | C23 | H233 | 0.2° | 77.3° |
| C20 | N3 | C17 | H3 | 125.3° | 179.9° |
| C20 | N3 | C17 | C16 | 179.8° | 180.0° |
| H231 | C23 | H232 | H233 | 112.8° | 115.1° |
| N3 | C17 | C16 | C14 | 23.1° | 91.7° |
| N3 | C17 | C16 | H16 | 156.9° | 90.0° |
| H3 | N3 | C17 | C16 | 54.5° | 0.0° |
| C17 | C16 | C14 | H16 | 180.0° | 178.4° |
| C17 | C16 | C14 | C12 | 165.5° | 180.0° |
| C17 | C16 | C14 | C15 | 14.6° | 0.1° |
| C16 | C14 | C12 | C15 | 180.0° | 179.8° |
| C16 | C14 | C12 | C9 | 0.4° | 0.2° |
| C16 | C14 | C12 | C13 | 179.7° | 179.9° |
| C16 | C14 | C15 | O3 | 0.5° | 0.1° |
| C16 | C14 | C15 | N2 | 180.0° | 179.9° |
| H16 | C16 | C14 | C12 | 14.6° | 1.6° |
| H16 | C16 | C14 | C15 | 165.4° | 178.2° |
| C14 | C12 | C9 | C13 | 180.0° | 179.8° |
| C14 | C12 | C9 | C8 | 179.1° | 179.9° |
| C14 | C12 | C9 | H9 | 0.9° | 0.1° |
| C12 | C14 | C15 | O3 | 179.5° | 180.0° |
| C12 | C14 | C15 | N2 | 0.0° | 0.0° |
| C14 | C12 | C13 | N2 | 0.6° | 0.1° |
| C14 | C12 | C13 | C11 | 179.3° | 180.0° |
| C15 | C14 | C12 | C9 | 179.6° | 179.9° |
| C15 | C14 | C12 | C13 | 0.4° | 0.1° |
| C14 | C15 | O3 | N2 | 179.4° | 180.0° |
| C14 | C15 | N2 | C13 | 0.4° | 0.0° |
| C14 | C15 | N2 | H2 | 179.6° | 180.0° |
| C12 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C12 | C13 | N2 | 179.3° | 179.9° |
| C9 | C12 | C13 | C11 | 0.7° | 0.1° |
| C12 | C9 | C8 | C10 | 0.5° | 0.0° |
| C12 | C9 | C8 | S1 | 179.5° | 180.0° |
| C13 | C12 | C9 | C8 | 0.9° | 0.1° |
| C13 | C12 | C9 | H9 | 179.1° | 180.0° |
| C12 | C13 | N2 | C15 | 0.6° | 0.0° |
| C12 | C13 | N2 | C11 | 179.9° | 180.0° |
| C12 | C13 | N2 | H2 | 179.3° | 179.9° |
| C12 | C13 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C11 | H11 | 179.9° | 180.0° |
| C9 | C8 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C10 | S1 | 179.0° | 180.0° |
| C9 | C8 | C10 | H10 | 179.8° | 179.9° |
| C9 | C8 | S1 | O1 | 33.4° | 25.1° |
| C9 | C8 | S1 | O2 | 154.9° | 154.1° |
| C9 | C8 | S1 | N1 | 80.1° | 90.0° |
| H9 | C9 | C8 | C10 | 179.5° | 180.0° |
| H9 | C9 | C8 | S1 | 0.5° | 0.0° |
| O3 | C15 | N2 | C13 | 179.9° | 180.0° |
| O3 | C15 | N2 | H2 | 0.1° | 0.1° |
| C15 | N2 | C13 | H2 | 180.0° | 179.9° |
| C15 | N2 | C13 | C11 | 179.3° | 180.0° |
| N2 | C13 | C11 | C10 | 180.0° | 180.0° |
| N2 | C13 | C11 | H11 | 0.0° | 0.1° |
| H2 | N2 | C13 | C11 | 0.7° | 0.0° |
| C13 | C11 | C10 | H11 | 180.0° | 179.9° |
| C13 | C11 | C10 | C8 | 0.4° | 0.0° |
| C13 | C11 | C10 | H10 | 179.6° | 179.9° |
| C11 | C10 | C8 | H10 | 180.0° | 180.0° |
| C11 | C10 | C8 | S1 | 178.8° | 180.0° |
| H11 | C11 | C10 | C8 | 179.6° | 179.9° |
| H11 | C11 | C10 | H10 | 0.4° | 0.0° |
| C10 | C8 | S1 | O1 | 147.6° | 154.9° |
| C10 | C8 | S1 | O2 | 26.0° | 25.9° |
| C10 | C8 | S1 | N1 | 98.9° | 90.0° |
| H10 | C10 | C8 | S1 | 1.2° | 0.0° |
| C8 | S1 | O1 | O2 | 121.2° | 122.8° |
| C8 | S1 | O1 | N1 | 114.8° | 112.0° |
| C8 | S1 | O2 | N1 | 120.6° | 112.3° |
| C8 | S1 | N1 | C7 | 110.9° | 83.1° |
| C8 | S1 | N1 | C3 | 67.7° | 60.0° |
| O1 | S1 | O2 | N1 | 118.5° | 124.9° |
| O1 | S1 | N1 | C7 | 5.5° | 162.3° |
| O1 | S1 | N1 | C3 | 175.9° | 54.6° |
| O2 | S1 | N1 | C7 | 126.9° | 31.9° |
| O2 | S1 | N1 | C3 | 54.4° | 175.0° |
| S1 | N1 | C7 | C3 | 178.7° | 143.0° |
| S1 | N1 | C7 | H7C1 | 54.7° | 84.1° |
| S1 | N1 | C7 | H7C2 | 54.8° | 35.9° |
| S1 | N1 | C7 | H7C3 | 180.0° | 155.9° |
| S1 | N1 | C3 | C1 | 94.3° | 83.5° |
| S1 | N1 | C3 | C6 | 87.0° | 96.6° |
| N1 | C7 | H7C1 | H7C2 | 114.4° | 120.9° |
| N1 | C7 | H7C1 | H7C3 | 131.2° | 120.8° |
| N1 | C7 | H7C2 | H7C3 | 131.2° | 120.9° |
| C7 | N1 | C3 | C1 | 87.0° | 59.9° |
| C7 | N1 | C3 | C6 | 91.6° | 119.9° |
| C3 | N1 | C7 | H7C1 | 126.5° | 58.9° |
| C3 | N1 | C7 | H7C2 | 124.0° | 178.9° |
| C3 | N1 | C7 | H7C3 | 1.3° | 61.1° |
| N1 | C3 | C1 | C6 | 178.7° | 179.9° |
| N1 | C3 | C1 | C2 | 180.0° | 180.0° |
| N1 | C3 | C1 | H1 | 0.1° | 0.1° |
| N1 | C3 | C6 | C5 | 179.7° | 180.0° |
| N1 | C3 | C6 | H6 | 0.3° | 0.0° |
| H7C1 | C7 | H7C2 | H7C3 | 114.4° | 118.3° |
| C3 | C1 | C2 | H1 | 180.0° | 179.9° |
| C3 | C1 | C2 | CL1 | 179.0° | 179.9° |
| C3 | C1 | C2 | C4 | 0.7° | 0.1° |
| C1 | C3 | C6 | C5 | 1.7° | 0.1° |
| C1 | C3 | C6 | H6 | 178.3° | 179.9° |
| C6 | C3 | C1 | C2 | 1.4° | 0.1° |
| C6 | C3 | C1 | H1 | 178.6° | 180.0° |
| C3 | C6 | C5 | C4 | 1.3° | 0.1° |
| C3 | C6 | C5 | H6 | 180.0° | 180.0° |
| C3 | C6 | C5 | H5 | 178.8° | 180.0° |
| C1 | C2 | CL1 | C4 | 179.7° | 180.0° |
| C1 | C2 | C4 | C5 | 0.3° | 0.0° |
| C1 | C2 | C4 | H4 | 179.7° | 180.0° |
| H1 | C1 | C2 | CL1 | 1.0° | 0.0° |
| H1 | C1 | C2 | C4 | 179.3° | 180.0° |
| CL1 | C2 | C4 | C5 | 179.5° | 180.0° |
| CL1 | C2 | C4 | H4 | 0.6° | 0.0° |
| C2 | C4 | C5 | H4 | 180.0° | 180.0° |
| C2 | C4 | C5 | C6 | 0.5° | 0.0° |
| C2 | C4 | C5 | H5 | 179.5° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 178.8° | 179.9° |
| H4 | C4 | C5 | C6 | 179.4° | 180.0° |
| H4 | C4 | C5 | H5 | 0.6° | 0.1° |
| H5 | C5 | C6 | H6 | 1.2° | 0.0° |
| C27 | C24 | N4 | H241 | 125.3° | 122.6° |
| C27 | C24 | N4 | H242 | 125.3° | 120.7° |
| C27 | C24 | H241 | H242 | 117.5° | 120.0° |
| C24 | C27 | N5 | H271 | 125.3° | 119.8° |
| C24 | C27 | N5 | H272 | 125.3° | 121.7° |
| C24 | C27 | H271 | H272 | 117.6° | 118.7° |
| C24 | C27 | N5 | C28 | 179.3° | 178.2° |
| C24 | C27 | N5 | C26 | 63.6° | 59.1° |
| C27 | C24 | N4 | C25 | 39.8° | 50.8° |
| N4 | C24 | H241 | H242 | 117.5° | 116.5° |
| N4 | C24 | C27 | N5 | 47.0° | 54.5° |
| N4 | C24 | C27 | H271 | 172.3° | 175.1° |
| N4 | C24 | C27 | H272 | 78.3° | 67.6° |
| C24 | N4 | C25 | C26 | 45.2° | 49.9° |
| C24 | N4 | C25 | H251 | 170.5° | 70.8° |
| C24 | N4 | C25 | H252 | 80.0° | 172.0° |
| H241 | C24 | C27 | N5 | 78.3° | 177.8° |
| H241 | C24 | C27 | H271 | 47.0° | 61.7° |
| H241 | C24 | C27 | H272 | 156.5° | 55.6° |
| H241 | C24 | N4 | C25 | 85.5° | 173.4° |
| H242 | C24 | C27 | N5 | 172.3° | 64.2° |
| H242 | C24 | C27 | H271 | 62.5° | 56.3° |
| H242 | C24 | C27 | H272 | 47.0° | 173.6° |
| H242 | C24 | N4 | C25 | 165.1° | 70.0° |
| N5 | C27 | H271 | H272 | 117.6° | 120.3° |
| C27 | N5 | C28 | C26 | 117.0° | 122.6° |
| C27 | N5 | C28 | H281 | 54.7° | 179.0° |
| C27 | N5 | C28 | H282 | 54.7° | 61.1° |
| C27 | N5 | C28 | H283 | 180.0° | 58.9° |
| C27 | N5 | C26 | C25 | 69.7° | 58.6° |
| C27 | N5 | C26 | H261 | 165.0° | 63.0° |
| C27 | N5 | C26 | H262 | 55.5° | 178.7° |
| H271 | C27 | N5 | C28 | 54.0° | 58.4° |
| H271 | C27 | N5 | C26 | 171.2° | 178.9° |
| H272 | C27 | N5 | C28 | 55.5° | 60.0° |
| H272 | C27 | N5 | C26 | 61.7° | 62.7° |
| N5 | C28 | H281 | H282 | 118.6° | 120.9° |
| N5 | C28 | H281 | H283 | 122.8° | 120.9° |
| N5 | C28 | H282 | H283 | 122.8° | 120.9° |
| C28 | N5 | C26 | C25 | 173.2° | 178.7° |
| C28 | N5 | C26 | H261 | 47.9° | 59.7° |
| C28 | N5 | C26 | H262 | 61.6° | 58.6° |
| C26 | N5 | C28 | H281 | 171.8° | 58.5° |
| C26 | N5 | C28 | H282 | 62.3° | 61.5° |
| C26 | N5 | C28 | H283 | 63.0° | 178.5° |
| N5 | C26 | C25 | H261 | 125.3° | 122.1° |
| N5 | C26 | C25 | H262 | 125.2° | 120.9° |
| N5 | C26 | H261 | H262 | 118.4° | 119.7° |
| N5 | C26 | C25 | N4 | 58.3° | 53.2° |
| N5 | C26 | C25 | H251 | 176.4° | 65.5° |
| N5 | C26 | C25 | H252 | 67.0° | 176.2° |
| H281 | C28 | H282 | H283 | 118.6° | 118.3° |
| C25 | C26 | H261 | H262 | 118.4° | 117.7° |
| C26 | C25 | N4 | H251 | 125.3° | 120.8° |
| C26 | C25 | N4 | H252 | 125.3° | 122.1° |
| C26 | C25 | H251 | H252 | 118.5° | 119.4° |
| H261 | C26 | C25 | N4 | 176.4° | 68.9° |
| H261 | C26 | C25 | H251 | 51.1° | 172.4° |
| H261 | C26 | C25 | H252 | 58.3° | 54.1° |
| H262 | C26 | C25 | N4 | 66.9° | 174.0° |
| H262 | C26 | C25 | H251 | 58.3° | 55.3° |
| H262 | C26 | C25 | H252 | 167.8° | 63.0° |
| N4 | C25 | H251 | H252 | 118.5° | 119.4° |
