TZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C19 | sing | 1.40Å | 1.38Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å | |
| C19 | C18 | doub | 1.40Å | 1.43Å | Aromatic |
| C19 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.37Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C17 | C16 | doub | 1.39Å | 1.44Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C16 | C14 | sing | 1.41Å | 1.44Å | Aromatic |
| C16 | C4 | sing | 1.47Å | 1.46Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.45Å | Aromatic |
| C14 | C7 | sing | 1.46Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.48Å | 1.50Å | Aromatic |
| C7 | N2 | doub | 1.31Å | 1.36Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C4 | C3 | doub | 1.40Å | 1.45Å | Aromatic |
| C4 | C6 | sing | 1.41Å | 1.45Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C2 | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1 | N1 | sing | 1.40Å | 1.38Å | |
| C1 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| C6 | C5 | doub | 1.40Å | 1.44Å | Aromatic |
| C6 | N2 | sing | 1.34Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| N2 | C20 | sing | 1.46Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.51Å | 1.46Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | N4 | sing | 1.34Å | 1.32Å | Aromatic |
| C26 | C27 | doub | 1.35Å | 1.34Å | Aromatic |
| N4 | N5 | doub | 1.29Å | 1.33Å | Aromatic |
| N5 | N6 | sing | 1.29Å | 1.32Å | Aromatic |
| N6 | C27 | sing | 1.35Å | 1.33Å | Aromatic |
| N6 | C28 | sing | 1.47Å | 1.45Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | N7 | sing | 1.47Å | 1.44Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| N7 | C30 | sing | 1.39Å | 1.36Å | |
| N7 | HN7 | sing | 1.01Å | 1.02Å | |
| C30 | C31 | doub | 1.39Å | 1.44Å | Aromatic |
| C30 | C39 | sing | 1.41Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.45Å | Aromatic |
| C31 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C36 | doub | 1.53Å | 1.35Å | Aromatic |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.43Å | Aromatic |
| C33 | N8 | doub | 1.32Å | 1.35Å | Aromatic |
| C34 | C35 | doub | 1.53Å | 1.35Å | Aromatic |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| N8 | C37 | sing | 1.33Å | 1.34Å | Aromatic |
| C37 | C38 | sing | 1.41Å | 1.45Å | |
| C37 | C39 | doub | 1.42Å | 1.44Å | Aromatic |
| C38 | C42 | sing | 1.36Å | 1.38Å | |
| C38 | H381 | sing | 11.38Å | 1.12Å | |
| C38 | H382 | sing | 1.08Å | 1.12Å | |
| C39 | C40 | sing | 1.40Å | 1.44Å | |
| C40 | C41 | sing | 1.36Å | 1.37Å | |
| C40 | H401 | sing | 9.28Å | 1.11Å | |
| C40 | H402 | sing | 1.08Å | 1.11Å | |
| C41 | C42 | sing | 1.39Å | 1.42Å | |
| C41 | H411 | sing | 10.12Å | 1.11Å | |
| C41 | H412 | sing | 1.08Å | 1.11Å | |
| C42 | H421 | sing | 11.13Å | 1.11Å | |
| C42 | H422 | sing | 1.08Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | N3 | HN31 | 107.6° | 120.0° |
| C19 | N3 | HN32 | 122.5° | 120.0° |
| N3 | C19 | C18 | 122.5° | 119.7° |
| N3 | C19 | C15 | 122.8° | 119.7° |
| HN31 | N3 | HN32 | 107.6° | 120.0° |
| C18 | C19 | C15 | 114.7° | 120.6° |
| C19 | C18 | C17 | 122.2° | 120.8° |
| C19 | C18 | H18 | 120.2° | 119.6° |
| C19 | C15 | C14 | 124.9° | 119.4° |
| C19 | C15 | H15 | 115.2° | 120.3° |
| C17 | C18 | H18 | 117.5° | 119.6° |
| C18 | C17 | C16 | 124.4° | 119.7° |
| C18 | C17 | H17 | 116.0° | 120.1° |
| C16 | C17 | H17 | 119.7° | 120.2° |
| C17 | C16 | C14 | 114.1° | 120.0° |
| C17 | C16 | C4 | 125.9° | 122.3° |
| C14 | C16 | C4 | 119.8° | 117.6° |
| C16 | C14 | C15 | 119.7° | 119.5° |
| C16 | C14 | C7 | 119.2° | 118.6° |
| C16 | C4 | C3 | 125.2° | 121.2° |
| C16 | C4 | C6 | 119.2° | 118.7° |
| C15 | C14 | C7 | 120.9° | 121.9° |
| C14 | C15 | H15 | 119.9° | 120.3° |
| C14 | C7 | C8 | 119.8° | 119.6° |
| C14 | C7 | N2 | 119.3° | 120.7° |
| C8 | C7 | N2 | 120.8° | 119.6° |
| C7 | C8 | C9 | 114.8° | 120.1° |
| C7 | C8 | C13 | 127.5° | 120.2° |
| C7 | N2 | C6 | 125.9° | 123.3° |
| C7 | N2 | C20 | 116.8° | 118.3° |
| C9 | C8 | C13 | 117.7° | 119.7° |
| C8 | C9 | C10 | 120.7° | 119.8° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C8 | C13 | C12 | 121.9° | 119.9° |
| C8 | C13 | H13 | 119.4° | 120.1° |
| C10 | C9 | H9 | 119.3° | 120.1° |
| C9 | C10 | C11 | 121.1° | 120.2° |
| C9 | C10 | H10 | 119.0° | 119.9° |
| C11 | C10 | H10 | 119.9° | 119.9° |
| C10 | C11 | C12 | 119.3° | 120.3° |
| C10 | C11 | H11 | 120.6° | 119.9° |
| C12 | C11 | H11 | 120.0° | 119.8° |
| C11 | C12 | C13 | 119.3° | 120.1° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| C13 | C12 | H12 | 120.5° | 120.0° |
| C12 | C13 | H13 | 118.6° | 120.0° |
| C3 | C4 | C6 | 114.9° | 120.1° |
| C4 | C3 | C2 | 124.3° | 120.1° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C4 | C6 | C5 | 118.8° | 118.9° |
| C4 | C6 | N2 | 116.6° | 121.1° |
| C2 | C3 | H3 | 115.6° | 119.9° |
| C3 | C2 | C1 | 121.2° | 120.5° |
| C3 | C2 | H2 | 117.9° | 119.8° |
| C1 | C2 | H2 | 120.9° | 119.7° |
| C2 | C1 | N1 | 123.3° | 119.7° |
| C2 | C1 | C5 | 115.2° | 120.7° |
| N1 | C1 | C5 | 121.5° | 119.6° |
| C1 | N1 | HN11 | 107.3° | 120.0° |
| C1 | N1 | HN12 | 123.3° | 120.0° |
| C1 | C5 | C6 | 125.6° | 119.8° |
| C1 | C5 | H5 | 115.7° | 120.1° |
| HN11 | N1 | HN12 | 107.3° | 120.0° |
| C5 | C6 | N2 | 123.8° | 120.1° |
| C6 | C5 | H5 | 118.7° | 120.1° |
| C6 | N2 | C20 | 117.3° | 118.4° |
| N2 | C20 | C21 | 121.8° | 109.5° |
| N2 | C20 | H201 | 107.8° | 109.5° |
| N2 | C20 | H202 | 107.8° | 109.5° |
| C21 | C20 | H201 | 107.8° | 109.5° |
| C21 | C20 | H202 | 107.8° | 109.5° |
| C20 | C21 | C22 | 105.7° | 109.5° |
| C20 | C21 | H211 | 113.6° | 109.5° |
| C20 | C21 | H212 | 113.6° | 109.5° |
| H201 | C20 | H202 | 102.0° | 109.5° |
| C22 | C21 | H211 | 113.6° | 109.5° |
| C22 | C21 | H212 | 113.6° | 109.5° |
| C21 | C22 | C23 | 112.8° | 109.5° |
| C21 | C22 | H221 | 111.0° | 109.5° |
| C21 | C22 | H222 | 111.0° | 109.4° |
| H211 | C21 | H212 | 96.8° | 109.5° |
| C23 | C22 | H221 | 111.0° | 109.5° |
| C23 | C22 | H222 | 111.0° | 109.5° |
| C22 | C23 | C24 | 108.0° | 109.4° |
| C22 | C23 | H231 | 112.8° | 109.4° |
| C22 | C23 | H232 | 112.7° | 109.4° |
| H221 | C22 | H222 | 99.3° | 109.4° |
| C24 | C23 | H231 | 112.8° | 109.5° |
| C24 | C23 | H232 | 112.8° | 109.5° |
| C23 | C24 | C25 | 110.6° | 109.5° |
| C23 | C24 | H241 | 111.8° | 109.5° |
| C23 | C24 | H242 | 111.8° | 109.5° |
| H231 | C23 | H232 | 97.7° | 109.5° |
| C25 | C24 | H241 | 111.8° | 109.4° |
| C25 | C24 | H242 | 111.8° | 109.5° |
| C24 | C25 | C26 | 102.7° | 109.5° |
| C24 | C25 | H251 | 114.8° | 109.4° |
| C24 | C25 | H252 | 114.8° | 109.5° |
| H241 | C24 | H242 | 98.6° | 109.5° |
| C26 | C25 | H251 | 114.8° | 109.5° |
| C26 | C25 | H252 | 114.8° | 109.5° |
| C25 | C26 | N4 | 122.2° | 126.8° |
| C25 | C26 | C27 | 128.0° | 126.8° |
| H251 | C25 | H252 | 95.7° | 109.5° |
| N4 | C26 | C27 | 109.7° | 106.5° |
| C26 | N4 | N5 | 105.7° | 108.9° |
| C26 | C27 | N6 | 107.0° | 106.2° |
| C26 | C27 | H27 | 127.0° | 126.9° |
| N4 | N5 | N6 | 110.3° | 110.2° |
| N5 | N6 | C27 | 107.4° | 108.3° |
| N5 | N6 | C28 | 132.0° | 125.9° |
| C27 | N6 | C28 | 120.6° | 125.8° |
| N6 | C27 | H27 | 126.0° | 127.0° |
| N6 | C28 | C29 | 107.0° | 109.4° |
| N6 | C28 | H281 | 113.2° | 109.5° |
| N6 | C28 | H282 | 113.2° | 109.5° |
| C29 | C28 | H281 | 113.1° | 109.5° |
| C29 | C28 | H282 | 113.1° | 109.4° |
| C28 | C29 | N7 | 106.8° | 109.4° |
| C28 | C29 | H291 | 113.2° | 109.5° |
| C28 | C29 | H292 | 113.2° | 109.5° |
| H281 | C28 | H282 | 97.3° | 109.5° |
| N7 | C29 | H291 | 113.2° | 109.5° |
| N7 | C29 | H292 | 113.2° | 109.5° |
| C29 | N7 | C30 | 127.8° | 106.7° |
| C29 | N7 | HN7 | 105.8° | 106.8° |
| H291 | C29 | H292 | 97.3° | 109.5° |
| C30 | N7 | HN7 | 105.8° | 106.7° |
| N7 | C30 | C31 | 111.7° | 120.8° |
| N7 | C30 | C39 | 128.6° | 120.7° |
| C31 | C30 | C39 | 119.5° | 118.4° |
| C30 | C31 | C32 | 125.6° | 117.5° |
| C30 | C31 | C33 | 118.0° | 119.8° |
| C30 | C39 | C37 | 117.8° | 118.6° |
| C30 | C39 | C40 | 127.5° | 121.7° |
| C32 | C31 | C33 | 116.3° | 122.8° |
| C31 | C32 | C36 | 122.9° | 110.6° |
| C31 | C32 | H32 | 122.0° | 109.2° |
| C31 | C33 | C34 | 118.3° | 122.1° |
| C31 | C33 | N8 | 121.9° | 120.9° |
| C36 | C32 | H32 | 115.1° | 109.2° |
| C32 | C36 | C35 | 120.1° | 108.3° |
| C32 | C36 | H36 | 118.1° | 109.7° |
| C34 | C33 | N8 | 119.8° | 117.0° |
| C33 | C34 | C35 | 123.2° | 110.7° |
| C33 | C34 | H34 | 121.3° | 109.2° |
| C33 | N8 | C37 | 120.5° | 122.6° |
| C35 | C34 | H34 | 115.5° | 109.3° |
| C34 | C35 | C36 | 118.9° | 108.4° |
| C34 | C35 | H35 | 118.8° | 109.7° |
| C36 | C35 | H35 | 122.3° | 109.6° |
| C35 | C36 | H36 | 121.7° | 109.7° |
| N8 | C37 | C38 | 118.4° | 121.2° |
| N8 | C37 | C39 | 122.0° | 119.8° |
| C38 | C37 | C39 | 119.3° | 119.0° |
| C37 | C38 | C42 | 119.8° | 119.7° |
| C37 | C38 | H381 | 108.5° | 55.2° |
| C37 | C38 | H382 | 108.5° | 120.1° |
| C37 | C39 | C40 | 114.3° | 119.7° |
| C42 | C38 | H381 | 108.5° | 76.1° |
| C42 | C38 | H382 | 108.5° | 120.2° |
| C38 | C42 | C41 | 111.4° | 121.1° |
| C38 | C42 | H421 | 111.5° | 97.1° |
| C38 | C42 | H422 | 111.5° | 119.4° |
| H381 | C38 | H382 | 101.5° | 143.8° |
| C39 | C40 | C41 | 121.9° | 119.6° |
| C39 | C40 | H401 | 107.8° | 96.7° |
| C39 | C40 | H402 | 107.8° | 120.2° |
| C41 | C40 | H401 | 107.8° | 124.4° |
| C41 | C40 | H402 | 107.8° | 120.2° |
| C40 | C41 | C42 | 119.7° | 120.8° |
| C40 | C41 | H411 | 108.5° | 49.2° |
| C40 | C41 | H412 | 108.6° | 119.6° |
| H401 | C40 | H402 | 102.0° | 47.1° |
| C42 | C41 | H411 | 108.5° | 134.1° |
| C42 | C41 | H412 | 108.5° | 119.6° |
| C41 | C42 | H421 | 111.5° | 40.7° |
| C41 | C42 | H422 | 111.5° | 119.5° |
| H411 | C41 | H412 | 101.5° | 87.5° |
| H421 | C42 | H422 | 98.9° | 130.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | N3 | HN31 | HN32 | 133.8° | 179.7° |
| N3 | C19 | C18 | C15 | 179.9° | 179.6° |
| N3 | C19 | C18 | C17 | 180.0° | 180.0° |
| N3 | C19 | C18 | H18 | 0.0° | 0.1° |
| N3 | C19 | C15 | C14 | 179.7° | 179.8° |
| N3 | C19 | C15 | H15 | 0.3° | 0.1° |
| HN31 | N3 | C19 | C18 | 54.7° | 0.1° |
| HN31 | N3 | C19 | C15 | 125.4° | 179.7° |
| HN32 | N3 | C19 | C18 | 180.0° | 179.8° |
| HN32 | N3 | C19 | C15 | 0.2° | 0.6° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.6° | 0.0° |
| C19 | C18 | C17 | H17 | 179.4° | 179.9° |
| C18 | C19 | C15 | C14 | 0.2° | 0.6° |
| C18 | C19 | C15 | H15 | 179.8° | 179.7° |
| C15 | C19 | C18 | C17 | 0.1° | 0.4° |
| C15 | C19 | C18 | H18 | 179.9° | 179.7° |
| C19 | C15 | C14 | C16 | 0.1° | 0.5° |
| C19 | C15 | C14 | H15 | 180.0° | 179.7° |
| C19 | C15 | C14 | C7 | 174.8° | 179.7° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C14 | 0.6° | 0.0° |
| C18 | C17 | C16 | C4 | 176.2° | 179.9° |
| H18 | C18 | C17 | C16 | 179.4° | 180.0° |
| H18 | C18 | C17 | H17 | 0.6° | 0.0° |
| C17 | C16 | C14 | C4 | 175.9° | 179.9° |
| C17 | C16 | C14 | C15 | 0.3° | 0.2° |
| C17 | C16 | C14 | C7 | 174.4° | 180.0° |
| C17 | C16 | C4 | C3 | 15.2° | 0.1° |
| C17 | C16 | C4 | C6 | 174.9° | 180.0° |
| H17 | C17 | C16 | C14 | 179.4° | 180.0° |
| H17 | C17 | C16 | C4 | 3.8° | 0.1° |
| C16 | C14 | C15 | C7 | 174.7° | 179.8° |
| C16 | C14 | C15 | H15 | 179.9° | 179.8° |
| C16 | C14 | C7 | C8 | 177.6° | 180.0° |
| C16 | C14 | C7 | N2 | 1.9° | 0.1° |
| C14 | C16 | C4 | C3 | 169.5° | 180.0° |
| C14 | C16 | C4 | C6 | 0.4° | 0.1° |
| C4 | C16 | C14 | C15 | 176.2° | 179.7° |
| C4 | C16 | C14 | C7 | 1.4° | 0.1° |
| C16 | C4 | C3 | C6 | 170.3° | 179.9° |
| C16 | C4 | C3 | C2 | 170.6° | 180.0° |
| C16 | C4 | C3 | H3 | 9.5° | 0.0° |
| C16 | C4 | C6 | C5 | 169.9° | 180.0° |
| C16 | C4 | C6 | N2 | 0.0° | 0.0° |
| C15 | C14 | C7 | C8 | 7.7° | 0.2° |
| C15 | C14 | C7 | N2 | 176.6° | 179.7° |
| C7 | C14 | C15 | H15 | 5.3° | 0.0° |
| C14 | C7 | C8 | N2 | 175.6° | 179.9° |
| C14 | C7 | C8 | C9 | 99.3° | 120.9° |
| C14 | C7 | C8 | C13 | 80.3° | 58.8° |
| C14 | C7 | N2 | C6 | 1.5° | 0.1° |
| C14 | C7 | N2 | C20 | 179.2° | 180.0° |
| C7 | C8 | C9 | C13 | 179.6° | 179.7° |
| C7 | C8 | C9 | C10 | 179.7° | 180.0° |
| C7 | C8 | C9 | H9 | 0.3° | 0.0° |
| C7 | C8 | C13 | C12 | 179.9° | 179.7° |
| C7 | C8 | C13 | H13 | 0.1° | 0.3° |
| C8 | C7 | N2 | C6 | 177.2° | 180.0° |
| C8 | C7 | N2 | C20 | 5.1° | 0.1° |
| N2 | C7 | C8 | C9 | 76.4° | 59.0° |
| N2 | C7 | C8 | C13 | 104.0° | 121.3° |
| C7 | N2 | C6 | C4 | 0.6° | 0.1° |
| C7 | N2 | C6 | C5 | 169.9° | 180.0° |
| C7 | N2 | C6 | C20 | 177.7° | 179.9° |
| C7 | N2 | C20 | C21 | 91.0° | 93.5° |
| C7 | N2 | C20 | H201 | 143.8° | 146.5° |
| C7 | N2 | C20 | H202 | 34.3° | 26.5° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.0° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| C9 | C8 | C13 | C12 | 0.6° | 0.6° |
| C9 | C8 | C13 | H13 | 179.5° | 180.0° |
| C13 | C8 | C9 | C10 | 0.7° | 0.3° |
| C13 | C8 | C9 | H9 | 179.4° | 179.7° |
| C8 | C13 | C12 | C11 | 0.3° | 0.6° |
| C8 | C13 | C12 | H13 | 180.0° | 179.4° |
| C8 | C13 | C12 | H12 | 179.7° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| H9 | C9 | C10 | C11 | 179.5° | 180.0° |
| H9 | C9 | C10 | H10 | 0.5° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| H10 | C10 | C11 | C12 | 179.8° | 180.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| H11 | C11 | C12 | C13 | 179.9° | 179.7° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H12 | C12 | C13 | H13 | 0.3° | 0.2° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.7° | 0.1° |
| C4 | C3 | C2 | H2 | 179.3° | 179.9° |
| C3 | C4 | C6 | C5 | 1.1° | 0.1° |
| C3 | C4 | C6 | N2 | 171.0° | 180.0° |
| C6 | C4 | C3 | C2 | 0.2° | 0.1° |
| C6 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C6 | C5 | C1 | 2.1° | 0.1° |
| C4 | C6 | C5 | N2 | 169.1° | 179.9° |
| C4 | C6 | C5 | H5 | 177.9° | 180.0° |
| C4 | C6 | N2 | C20 | 178.2° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 179.4° | 180.0° |
| C3 | C2 | C1 | C5 | 0.1° | 0.1° |
| H3 | C3 | C2 | C1 | 179.3° | 180.0° |
| H3 | C3 | C2 | H2 | 0.7° | 0.0° |
| C2 | C1 | N1 | C5 | 179.2° | 179.9° |
| C2 | C1 | N1 | HN11 | 54.7° | 0.0° |
| C2 | C1 | N1 | HN12 | 180.0° | 180.0° |
| C2 | C1 | C5 | C6 | 1.6° | 0.1° |
| C2 | C1 | C5 | H5 | 178.4° | 180.0° |
| H2 | C2 | C1 | N1 | 0.6° | 0.0° |
| H2 | C2 | C1 | C5 | 179.9° | 179.9° |
| C1 | N1 | HN11 | HN12 | 134.4° | 180.0° |
| N1 | C1 | C5 | C6 | 179.1° | 180.0° |
| N1 | C1 | C5 | H5 | 0.9° | 0.1° |
| C5 | C1 | N1 | HN11 | 124.5° | 179.9° |
| C5 | C1 | N1 | HN12 | 0.8° | 0.1° |
| C1 | C5 | C6 | H5 | 180.0° | 179.9° |
| C1 | C5 | C6 | N2 | 171.2° | 180.0° |
| C5 | C6 | N2 | C20 | 12.5° | 0.1° |
| N2 | C6 | C5 | H5 | 8.8° | 0.1° |
| C6 | N2 | C20 | C21 | 91.2° | 86.4° |
| C6 | N2 | C20 | H201 | 34.1° | 33.6° |
| C6 | N2 | C20 | H202 | 143.6° | 153.6° |
| N2 | C20 | C21 | H201 | 125.3° | 120.0° |
| N2 | C20 | C21 | H202 | 125.3° | 120.0° |
| N2 | C20 | H201 | H202 | 113.4° | 120.0° |
| N2 | C20 | C21 | C22 | 168.0° | 180.0° |
| N2 | C20 | C21 | H211 | 66.8° | 60.0° |
| N2 | C20 | C21 | H212 | 42.7° | 60.0° |
| C21 | C20 | H201 | H202 | 113.4° | 120.0° |
| C20 | C21 | C22 | H211 | 125.2° | 120.0° |
| C20 | C21 | C22 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 119.5° | 120.0° |
| C20 | C21 | C22 | C23 | 178.7° | 180.0° |
| C20 | C21 | C22 | H221 | 56.0° | 59.9° |
| C20 | C21 | C22 | H222 | 53.4° | 60.0° |
| H201 | C20 | C21 | C22 | 42.7° | 60.0° |
| H201 | C20 | C21 | H211 | 168.0° | 180.0° |
| H201 | C20 | C21 | H212 | 82.6° | 60.0° |
| H202 | C20 | C21 | C22 | 66.7° | 60.0° |
| H202 | C20 | C21 | H211 | 58.5° | 60.0° |
| H202 | C20 | C21 | H212 | 168.0° | NaN° |
| C22 | C21 | H211 | H212 | 119.5° | 120.0° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 119.9° |
| C21 | C22 | H221 | H222 | 116.8° | 119.9° |
| C21 | C22 | C23 | C24 | 73.3° | 180.0° |
| C21 | C22 | C23 | H231 | 52.0° | 60.0° |
| C21 | C22 | C23 | H232 | 161.4° | 60.0° |
| H211 | C21 | C22 | C23 | 53.4° | 60.0° |
| H211 | C21 | C22 | H221 | 178.7° | 180.0° |
| H211 | C21 | C22 | H222 | 71.9° | 60.0° |
| H212 | C21 | C22 | C23 | 56.0° | 60.0° |
| H212 | C21 | C22 | H221 | 69.2° | 60.1° |
| H212 | C21 | C22 | H222 | 178.7° | 180.0° |
| C23 | C22 | H221 | H222 | 116.9° | 120.1° |
| C22 | C23 | C24 | H231 | 125.3° | 119.9° |
| C22 | C23 | C24 | H232 | 125.3° | 120.0° |
| C22 | C23 | H231 | H232 | 118.7° | 120.0° |
| C22 | C23 | C24 | C25 | 86.0° | 180.0° |
| C22 | C23 | C24 | H241 | 39.2° | 60.0° |
| C22 | C23 | C24 | H242 | 148.7° | 60.0° |
| H221 | C22 | C23 | C24 | 161.4° | 60.0° |
| H221 | C22 | C23 | H231 | 73.3° | 180.0° |
| H221 | C22 | C23 | H232 | 36.2° | 60.0° |
| H222 | C22 | C23 | C24 | 52.0° | 60.0° |
| H222 | C22 | C23 | H231 | 177.2° | 59.9° |
| H222 | C22 | C23 | H232 | 73.3° | 180.0° |
| C24 | C23 | H231 | H232 | 118.7° | 120.1° |
| C23 | C24 | C25 | H241 | 125.2° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 120.1° |
| C23 | C24 | H241 | H242 | 117.7° | 120.1° |
| C23 | C24 | C25 | C26 | 169.5° | 180.0° |
| C23 | C24 | C25 | H251 | 44.3° | 60.0° |
| C23 | C24 | C25 | H252 | 65.2° | 59.9° |
| H231 | C23 | C24 | C25 | 148.7° | 60.1° |
| H231 | C23 | C24 | H241 | 86.0° | 180.0° |
| H231 | C23 | C24 | H242 | 23.4° | 59.9° |
| H232 | C23 | C24 | C25 | 39.2° | 60.0° |
| H232 | C23 | C24 | H241 | 164.5° | 59.9° |
| H232 | C23 | C24 | H242 | 86.0° | 180.0° |
| C25 | C24 | H241 | H242 | 117.7° | 120.0° |
| C24 | C25 | C26 | H251 | 125.3° | 119.9° |
| C24 | C25 | C26 | H252 | 125.3° | 120.0° |
| C24 | C25 | H251 | H252 | 120.7° | 120.0° |
| C24 | C25 | C26 | N4 | 73.5° | 55.4° |
| C24 | C25 | C26 | C27 | 102.9° | 125.0° |
| H241 | C24 | C25 | C26 | 65.2° | 60.0° |
| H241 | C24 | C25 | H251 | 169.5° | 180.0° |
| H241 | C24 | C25 | H252 | 60.0° | 60.0° |
| H242 | C24 | C25 | C26 | 44.3° | 59.9° |
| H242 | C24 | C25 | H251 | 81.0° | 60.0° |
| H242 | C24 | C25 | H252 | 169.5° | 180.0° |
| C26 | C25 | H251 | H252 | 120.6° | 120.1° |
| C25 | C26 | N4 | C27 | 176.9° | 179.6° |
| C25 | C26 | N4 | N5 | 177.9° | 179.9° |
| C25 | C26 | C27 | N6 | 178.2° | 179.9° |
| C25 | C26 | C27 | H27 | 1.8° | 0.1° |
| H251 | C25 | C26 | N4 | 51.8° | 175.4° |
| H251 | C25 | C26 | C27 | 131.9° | 5.1° |
| H252 | C25 | C26 | N4 | 161.3° | 64.6° |
| H252 | C25 | C26 | C27 | 22.4° | 115.0° |
| C26 | N4 | N5 | N6 | 0.1° | 0.5° |
| N4 | C26 | C27 | N6 | 1.5° | 0.3° |
| N4 | C26 | C27 | H27 | 178.5° | 179.7° |
| C27 | C26 | N4 | N5 | 1.0° | 0.5° |
| C26 | C27 | N6 | N5 | 1.4° | 0.0° |
| C26 | C27 | N6 | H27 | 180.0° | 180.0° |
| C26 | C27 | N6 | C28 | 179.3° | 180.0° |
| N4 | N5 | N6 | C27 | 0.8° | 0.3° |
| N4 | N5 | N6 | C28 | 179.9° | 179.7° |
| N5 | N6 | C27 | C28 | 179.4° | 179.9° |
| N5 | N6 | C27 | H27 | 178.6° | 180.0° |
| N5 | N6 | C28 | C29 | 9.5° | 55.0° |
| N5 | N6 | C28 | H281 | 134.8° | 65.0° |
| N5 | N6 | C28 | H282 | 115.7° | 174.9° |
| C27 | N6 | C28 | C29 | 171.3° | 125.0° |
| C27 | N6 | C28 | H281 | 46.0° | 115.0° |
| C27 | N6 | C28 | H282 | 63.5° | 5.1° |
| C28 | N6 | C27 | H27 | 0.7° | 0.0° |
| N6 | C28 | C29 | H281 | 125.3° | 120.0° |
| N6 | C28 | C29 | H282 | 125.3° | 119.9° |
| N6 | C28 | H281 | H282 | 119.1° | 120.1° |
| N6 | C28 | C29 | N7 | 101.0° | 180.0° |
| N6 | C28 | C29 | H291 | 133.7° | 60.0° |
| N6 | C28 | C29 | H292 | 24.2° | 60.0° |
| C29 | C28 | H281 | H282 | 119.1° | 120.0° |
| C28 | C29 | N7 | H291 | 125.2° | 120.0° |
| C28 | C29 | N7 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H292 | 119.1° | 120.0° |
| C28 | C29 | N7 | C30 | 113.7° | 178.0° |
| C28 | C29 | N7 | HN7 | 11.6° | 64.2° |
| H281 | C28 | C29 | N7 | 24.2° | 60.0° |
| H281 | C28 | C29 | H291 | 101.0° | 180.0° |
| H281 | C28 | C29 | H292 | 149.5° | 60.0° |
| H282 | C28 | C29 | N7 | 133.7° | 60.0° |
| H282 | C28 | C29 | H291 | 8.5° | 60.0° |
| H282 | C28 | C29 | H292 | 101.0° | 180.0° |
| N7 | C29 | H291 | H292 | 119.2° | 120.0° |
| C29 | N7 | C30 | HN7 | 125.3° | 113.8° |
| C29 | N7 | C30 | C31 | 136.5° | 96.3° |
| C29 | N7 | C30 | C39 | 47.1° | 83.4° |
| H291 | C29 | N7 | C30 | 121.1° | 62.0° |
| H291 | C29 | N7 | HN7 | 113.7° | 175.8° |
| H292 | C29 | N7 | C30 | 11.6° | 58.0° |
| H292 | C29 | N7 | HN7 | 136.8° | 55.8° |
| N7 | C30 | C31 | C39 | 176.7° | 179.7° |
| N7 | C30 | C31 | C32 | 6.3° | 0.3° |
| N7 | C30 | C31 | C33 | 176.0° | 180.0° |
| N7 | C30 | C39 | C37 | 178.9° | 179.7° |
| N7 | C30 | C39 | C40 | 6.2° | 0.5° |
| HN7 | N7 | C30 | C31 | 11.2° | 149.9° |
| HN7 | N7 | C30 | C39 | 172.4° | 30.4° |
| C30 | C31 | C32 | C33 | 177.7° | 179.8° |
| C30 | C31 | C32 | C36 | 178.2° | 162.7° |
| C30 | C31 | C32 | H32 | 1.8° | 42.5° |
| C30 | C31 | C33 | C34 | 177.3° | 179.7° |
| C30 | C31 | C33 | N8 | 4.1° | 0.2° |
| C31 | C30 | C39 | C37 | 2.8° | 0.6° |
| C31 | C30 | C39 | C40 | 169.9° | 179.8° |
| C39 | C30 | C31 | C32 | 177.0° | 180.0° |
| C39 | C30 | C31 | C33 | 0.7° | 0.2° |
| C30 | C39 | C37 | N8 | 3.3° | 0.6° |
| C30 | C39 | C37 | C38 | 177.0° | 179.6° |
| C30 | C39 | C37 | C40 | 173.7° | 179.2° |
| C30 | C39 | C40 | C41 | 174.7° | 179.6° |
| C30 | C39 | C40 | H401 | 49.4° | 44.2° |
| C30 | C39 | C40 | H402 | 60.1° | 0.5° |
| C31 | C32 | C36 | H32 | 180.0° | 120.2° |
| C32 | C31 | C33 | C34 | 4.8° | 0.5° |
| C32 | C31 | C33 | N8 | 173.8° | 179.6° |
| C31 | C32 | C36 | C35 | 2.5° | 51.0° |
| C31 | C32 | C36 | H36 | 177.5° | 68.7° |
| C33 | C31 | C32 | C36 | 4.1° | 17.5° |
| C33 | C31 | C32 | H32 | 175.9° | 137.7° |
| C31 | C33 | C34 | N8 | 178.6° | 179.9° |
| C31 | C33 | C34 | C35 | 4.3° | 17.9° |
| C31 | C33 | C34 | H34 | 175.7° | 102.5° |
| C31 | C33 | N8 | C37 | 3.7° | 0.2° |
| C32 | C36 | C35 | C34 | 1.5° | 70.1° |
| C32 | C36 | C35 | H36 | 180.0° | 119.7° |
| C32 | C36 | C35 | H35 | 178.5° | 170.1° |
| H32 | C32 | C36 | C35 | 177.5° | 171.2° |
| H32 | C32 | C36 | H36 | 2.5° | 51.5° |
| C33 | C34 | C35 | H34 | 180.0° | 120.3° |
| C33 | C34 | C35 | C36 | 2.5° | 51.5° |
| C33 | C34 | C35 | H35 | 177.5° | 171.2° |
| C34 | C33 | N8 | C37 | 177.7° | 179.7° |
| N8 | C33 | C34 | C35 | 174.4° | 162.2° |
| N8 | C33 | C34 | H34 | 5.7° | 77.4° |
| C33 | N8 | C37 | C38 | 173.8° | 180.0° |
| C33 | N8 | C37 | C39 | 0.1° | 0.2° |
| C34 | C35 | C36 | H35 | 180.0° | 119.7° |
| C34 | C35 | C36 | H36 | 178.5° | 49.6° |
| H34 | C34 | C35 | C36 | 177.5° | 68.8° |
| H34 | C34 | C35 | H35 | 2.5° | 50.9° |
| H35 | C35 | C36 | H36 | 1.5° | 70.2° |
| N8 | C37 | C38 | C39 | 173.9° | 179.8° |
| N8 | C37 | C38 | C42 | 167.3° | 180.0° |
| N8 | C37 | C38 | H381 | 42.1° | 137.1° |
| N8 | C37 | C38 | H382 | 67.4° | 0.0° |
| N8 | C37 | C39 | C40 | 170.3° | 179.8° |
| C37 | C38 | C42 | H381 | 125.3° | 35.2° |
| C37 | C38 | C42 | H382 | 125.2° | 180.0° |
| C37 | C38 | H381 | H382 | 114.1° | 94.9° |
| C38 | C37 | C39 | C40 | 3.3° | 0.4° |
| C37 | C38 | C42 | C41 | 39.6° | 0.0° |
| C37 | C38 | C42 | H421 | 85.7° | 35.2° |
| C37 | C38 | C42 | H422 | 164.8° | 180.0° |
| C39 | C37 | C38 | C42 | 18.8° | 0.2° |
| C39 | C37 | C38 | H381 | 144.0° | 42.7° |
| C39 | C37 | C38 | H382 | 106.5° | 179.8° |
| C37 | C39 | C40 | C41 | 1.8° | 0.4° |
| C37 | C39 | C40 | H401 | 123.5° | 136.6° |
| C37 | C39 | C40 | H402 | 127.0° | 179.7° |
| C42 | C38 | H381 | H382 | 114.2° | 122.6° |
| C38 | C42 | C41 | C40 | 41.3° | 0.1° |
| C38 | C42 | C41 | H421 | 125.3° | 61.3° |
| C38 | C42 | C41 | H422 | 125.3° | 180.0° |
| C38 | C42 | C41 | H411 | 83.9° | 61.3° |
| C38 | C42 | C41 | H412 | 166.6° | 180.0° |
| C38 | C42 | H421 | H422 | 117.4° | 138.9° |
| H381 | C38 | C42 | C41 | 164.8° | 35.2° |
| H381 | C38 | C42 | H421 | 39.6° | 0.0° |
| H381 | C38 | C42 | H422 | 69.9° | 144.8° |
| H382 | C38 | C42 | C41 | 85.7° | 179.9° |
| H382 | C38 | C42 | H421 | 149.1° | 144.8° |
| H382 | C38 | C42 | H422 | 39.6° | 0.0° |
| C39 | C40 | C41 | H401 | 125.3° | 123.6° |
| C39 | C40 | C41 | H402 | 125.3° | 179.8° |
| C39 | C40 | H401 | H402 | 113.4° | 125.5° |
| C39 | C40 | C41 | C42 | 21.4° | 0.2° |
| C39 | C40 | C41 | H411 | 103.8° | 123.6° |
| C39 | C40 | C41 | H412 | 146.7° | 179.8° |
| C41 | C40 | H401 | H402 | 113.3° | 101.3° |
| C40 | C41 | C42 | H411 | 125.2° | 61.2° |
| C40 | C41 | C42 | H412 | 125.3° | 180.0° |
| C40 | C41 | H411 | H412 | 114.2° | 133.7° |
| C40 | C41 | C42 | H421 | 84.0° | 61.2° |
| C40 | C41 | C42 | H422 | 166.6° | 180.0° |
| H401 | C40 | C41 | C42 | 146.7° | 123.8° |
| H401 | C40 | C41 | H411 | 21.4° | 0.0° |
| H401 | C40 | C41 | H412 | 88.1° | 56.2° |
| H402 | C40 | C41 | C42 | 103.9° | 180.0° |
| H402 | C40 | C41 | H411 | 130.9° | 56.3° |
| H402 | C40 | C41 | H412 | 21.4° | 0.0° |
| C42 | C41 | H411 | H412 | 114.2° | 130.3° |
| C41 | C42 | H421 | H422 | 117.4° | 90.3° |
| H411 | C41 | C42 | H421 | 150.8° | NaN° |
| H411 | C41 | C42 | H422 | 41.3° | 118.7° |
| H412 | C41 | C42 | H421 | 41.3° | 118.7° |
| H412 | C41 | C42 | H422 | 68.1° | 0.0° |
