FRI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O47 | C30 | doub | 1.21Å | 1.22Å | |
| C30 | C29 | sing | 1.51Å | 1.51Å | |
| C30 | N2 | sing | 1.35Å | 1.34Å | |
| C29 | N3 | sing | 1.46Å | 1.46Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| N3 | C27 | sing | 1.35Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C27 | O46 | doub | 1.21Å | 1.22Å | |
| C27 | C26 | sing | 1.51Å | 1.50Å | |
| C26 | C41 | sing | 1.53Å | 1.53Å | |
| C26 | N7 | sing | 1.46Å | 1.46Å | |
| C26 | H26 | sing | 1.09Å | 1.12Å | |
| C41 | C32 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C32 | C37 | sing | 1.53Å | 1.52Å | |
| C32 | C36 | sing | 1.53Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.12Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C37 | H373 | sing | 1.09Å | 1.12Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C36 | H363 | sing | 1.09Å | 1.12Å | |
| N7 | C24 | sing | 1.37Å | 1.34Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C24 | N5 | doub | 1.30Å | 1.33Å | |
| C24 | N4 | sing | 1.37Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| N2 | C31 | sing | 1.47Å | 1.47Å | |
| N2 | C43 | sing | 1.47Å | 1.47Å | |
| C31 | C39 | sing | 1.54Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C39 | C19 | sing | 1.53Å | 1.53Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | C23 | sing | 1.51Å | 1.51Å | |
| C19 | H19 | sing | 1.09Å | 1.11Å | |
| C21 | C43 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C23 | N8 | sing | 1.35Å | 1.35Å | Aromatic |
| C23 | C13 | doub | 1.35Å | 1.25Å | Aromatic |
| N8 | C38 | sing | 1.47Å | 1.46Å | |
| N8 | N6 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.12Å | |
| N6 | C14 | doub | 1.32Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.27Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C11 | sing | 1.48Å | 1.50Å | Aromatic |
| C11 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C17 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C20 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | O45 | sing | 1.36Å | 1.36Å | |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | CL9 | sing | 1.74Å | 1.79Å | |
| C34 | CL10 | sing | 1.74Å | 1.80Å | |
| O45 | C40 | sing | 1.43Å | 1.42Å | |
| C40 | C22 | sing | 1.51Å | 1.51Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| C22 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C25 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C35 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | N1 | sing | 1.40Å | 1.36Å | |
| C18 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C12 | O44 | doub | 1.21Å | 1.22Å | |
| C12 | C42 | sing | 1.51Å | 1.50Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O47 | C30 | C29 | 119.6° | 120.0° |
| O47 | C30 | N2 | 122.0° | 120.0° |
| C29 | C30 | N2 | 118.4° | 120.0° |
| C30 | C29 | N3 | 112.7° | 109.5° |
| C30 | C29 | H291 | 111.0° | 109.5° |
| C30 | C29 | H292 | 111.0° | 109.4° |
| C30 | N2 | C31 | 121.0° | 120.7° |
| C30 | N2 | C43 | 119.5° | 120.6° |
| N3 | C29 | H291 | 111.0° | 109.5° |
| N3 | C29 | H292 | 111.0° | 109.5° |
| C29 | N3 | C27 | 123.4° | 120.1° |
| C29 | N3 | HN3 | 122.9° | 120.0° |
| H291 | C29 | H292 | 99.3° | 109.5° |
| C27 | N3 | HN3 | 113.8° | 120.0° |
| N3 | C27 | O46 | 123.8° | 120.0° |
| N3 | C27 | C26 | 115.6° | 120.1° |
| O46 | C27 | C26 | 120.6° | 120.0° |
| C27 | C26 | C41 | 109.0° | 109.5° |
| C27 | C26 | N7 | 112.9° | 109.5° |
| C27 | C26 | H26 | 107.7° | 109.4° |
| C41 | C26 | N7 | 110.3° | 109.5° |
| C41 | C26 | H26 | 110.5° | 109.5° |
| C26 | C41 | C32 | 112.1° | 109.4° |
| C26 | C41 | H411 | 111.3° | 109.5° |
| C26 | C41 | H412 | 111.2° | 109.5° |
| N7 | C26 | H26 | 106.4° | 109.4° |
| C26 | N7 | C24 | 123.5° | 120.0° |
| C26 | N7 | HN7 | 107.2° | 120.1° |
| C32 | C41 | H411 | 111.2° | 109.4° |
| C32 | C41 | H412 | 111.2° | 109.4° |
| C41 | C32 | C37 | 110.6° | 109.5° |
| C41 | C32 | C36 | 111.4° | 109.5° |
| C41 | C32 | H32 | 107.7° | 109.4° |
| H411 | C41 | H412 | 99.1° | 109.5° |
| C37 | C32 | C36 | 110.3° | 109.5° |
| C37 | C32 | H32 | 108.8° | 109.5° |
| C32 | C37 | H371 | 111.8° | 109.5° |
| C32 | C37 | H372 | 110.6° | 109.5° |
| C32 | C37 | H373 | 111.8° | 109.5° |
| C36 | C32 | H32 | 108.0° | 109.5° |
| C32 | C36 | H361 | 111.5° | 109.5° |
| C32 | C36 | H362 | 111.4° | 109.5° |
| C32 | C36 | H363 | 111.5° | 109.5° |
| H371 | C37 | H372 | 111.8° | 109.5° |
| H371 | C37 | H373 | 98.6° | 109.4° |
| H372 | C37 | H373 | 111.8° | 109.5° |
| H361 | C36 | H362 | 111.5° | 109.5° |
| H361 | C36 | H363 | 98.8° | 109.5° |
| H362 | C36 | H363 | 111.5° | 109.4° |
| C24 | N7 | HN7 | 107.2° | 119.9° |
| N7 | C24 | N5 | 121.2° | 120.0° |
| N7 | C24 | N4 | 119.7° | 120.0° |
| N5 | C24 | N4 | 119.1° | 120.0° |
| C24 | N5 | HN5 | 105.0° | 120.0° |
| C24 | N4 | HN41 | 108.5° | 120.0° |
| C24 | N4 | HN42 | 119.7° | 120.0° |
| HN41 | N4 | HN42 | 108.5° | 120.0° |
| C31 | N2 | C43 | 119.4° | 118.7° |
| N2 | C31 | C39 | 110.0° | 108.5° |
| N2 | C31 | H311 | 112.0° | 110.0° |
| N2 | C31 | H312 | 112.0° | 109.5° |
| N2 | C43 | C21 | 109.9° | 108.7° |
| N2 | C43 | H431 | 112.0° | 109.6° |
| N2 | C43 | H432 | 112.1° | 109.6° |
| C39 | C31 | H311 | 112.0° | 109.6° |
| C39 | C31 | H312 | 112.0° | 109.6° |
| C31 | C39 | C19 | 109.7° | 109.2° |
| C31 | C39 | H391 | 112.2° | 109.7° |
| C31 | C39 | H392 | 112.1° | 109.5° |
| H311 | C31 | H312 | 98.4° | 109.6° |
| C19 | C39 | H391 | 112.1° | 109.5° |
| C19 | C39 | H392 | 112.1° | 109.4° |
| C39 | C19 | C21 | 107.0° | 109.5° |
| C39 | C19 | C23 | 111.6° | 109.5° |
| C39 | C19 | H19 | 110.6° | 109.5° |
| H391 | C39 | H392 | 98.3° | 109.5° |
| C21 | C19 | C23 | 111.9° | 109.5° |
| C21 | C19 | H19 | 110.3° | 109.4° |
| C19 | C21 | C43 | 108.8° | 109.3° |
| C19 | C21 | H211 | 112.5° | 109.4° |
| C19 | C21 | H212 | 112.5° | 109.5° |
| C23 | C19 | H19 | 105.5° | 109.4° |
| C19 | C23 | N8 | 129.1° | 126.0° |
| C19 | C23 | C13 | 132.8° | 126.0° |
| C43 | C21 | H211 | 112.5° | 109.5° |
| C43 | C21 | H212 | 112.5° | 109.5° |
| C21 | C43 | H431 | 112.0° | 109.6° |
| C21 | C43 | H432 | 112.0° | 109.6° |
| H211 | C21 | H212 | 98.0° | 109.5° |
| H431 | C43 | H432 | 98.4° | 109.8° |
| N8 | C23 | C13 | 98.1° | 108.0° |
| C23 | N8 | C38 | 128.7° | 125.9° |
| C23 | N8 | N6 | 110.6° | 108.2° |
| C23 | C13 | C14 | 125.4° | 107.8° |
| C23 | C13 | H13 | 116.5° | 126.1° |
| C38 | N8 | N6 | 120.7° | 125.9° |
| N8 | C38 | H381 | 105.5° | 109.4° |
| N8 | C38 | H382 | 128.7° | 109.5° |
| N8 | C38 | H383 | 105.5° | 109.5° |
| N8 | N6 | C14 | 105.1° | 108.1° |
| H381 | C38 | H382 | 105.5° | 109.4° |
| H381 | C38 | H383 | 103.8° | 109.5° |
| H382 | C38 | H383 | 105.5° | 109.6° |
| N6 | C14 | C13 | 99.9° | 107.9° |
| N6 | C14 | C11 | 129.3° | 126.0° |
| C14 | C13 | H13 | 118.1° | 126.1° |
| C13 | C14 | C11 | 130.8° | 126.0° |
| C14 | C11 | C15 | 118.3° | 120.1° |
| C14 | C11 | C34 | 121.5° | 120.1° |
| C15 | C11 | C34 | 120.2° | 119.9° |
| C11 | C15 | C17 | 119.8° | 120.0° |
| C11 | C15 | H15 | 120.2° | 120.0° |
| C11 | C34 | C33 | 119.7° | 119.9° |
| C11 | C34 | CL10 | 122.7° | 120.0° |
| C17 | C15 | H15 | 119.9° | 120.0° |
| C15 | C17 | C20 | 119.3° | 120.1° |
| C15 | C17 | H17 | 120.3° | 119.9° |
| C20 | C17 | H17 | 120.5° | 119.9° |
| C17 | C20 | C33 | 120.5° | 120.1° |
| C17 | C20 | O45 | 120.8° | 119.9° |
| C33 | C20 | O45 | 118.7° | 120.0° |
| C20 | C33 | C34 | 120.5° | 120.1° |
| C20 | C33 | CL9 | 120.0° | 119.9° |
| C20 | O45 | C40 | 119.0° | 106.8° |
| C34 | C33 | CL9 | 119.5° | 120.0° |
| C33 | C34 | CL10 | 117.6° | 120.1° |
| O45 | C40 | C22 | 109.2° | 109.5° |
| O45 | C40 | H401 | 112.3° | 109.5° |
| O45 | C40 | H402 | 112.3° | 109.5° |
| C22 | C40 | H401 | 112.3° | 109.4° |
| C22 | C40 | H402 | 112.3° | 109.5° |
| C40 | C22 | C28 | 119.7° | 120.0° |
| C40 | C22 | C16 | 119.9° | 119.9° |
| H401 | C40 | H402 | 98.1° | 109.5° |
| C28 | C22 | C16 | 120.4° | 120.1° |
| C22 | C28 | C25 | 118.7° | 120.1° |
| C22 | C28 | H28 | 120.2° | 119.9° |
| C22 | C16 | C18 | 120.4° | 120.1° |
| C22 | C16 | H16 | 119.9° | 119.9° |
| C25 | C28 | H28 | 121.1° | 120.0° |
| C28 | C25 | C35 | 119.6° | 120.0° |
| C28 | C25 | H25 | 120.5° | 120.0° |
| C35 | C25 | H25 | 119.9° | 120.0° |
| C25 | C35 | C18 | 119.8° | 119.8° |
| C25 | C35 | N1 | 119.0° | 120.0° |
| C18 | C35 | N1 | 121.2° | 120.1° |
| C35 | C18 | C16 | 119.6° | 120.0° |
| C35 | C18 | H18 | 120.4° | 120.0° |
| C35 | N1 | C12 | 123.1° | 120.0° |
| C35 | N1 | HN1 | 119.3° | 120.1° |
| C16 | C18 | H18 | 120.0° | 120.1° |
| C18 | C16 | H16 | 119.7° | 120.0° |
| C12 | N1 | HN1 | 117.6° | 119.9° |
| N1 | C12 | O44 | 121.4° | 120.0° |
| N1 | C12 | C42 | 116.6° | 120.0° |
| O44 | C12 | C42 | 121.9° | 120.0° |
| C12 | C42 | H421 | 109.6° | 109.4° |
| C12 | C42 | H422 | 116.6° | 109.5° |
| C12 | C42 | H423 | 109.6° | 109.5° |
| H421 | C42 | H422 | 109.6° | 109.5° |
| H421 | C42 | H423 | 100.5° | 109.5° |
| H422 | C42 | H423 | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O47 | C30 | C29 | N2 | 179.4° | 180.0° |
| O47 | C30 | C29 | N3 | 2.0° | 0.0° |
| O47 | C30 | C29 | H291 | 127.3° | 120.0° |
| O47 | C30 | C29 | H292 | 123.3° | 120.0° |
| O47 | C30 | N2 | C31 | 126.7° | 179.7° |
| O47 | C30 | N2 | C43 | 50.2° | 0.1° |
| C30 | C29 | N3 | H291 | 125.3° | 120.0° |
| C30 | C29 | N3 | H292 | 125.2° | 119.9° |
| C30 | C29 | H291 | H292 | 116.9° | 119.9° |
| C30 | C29 | N3 | C27 | 103.2° | 180.0° |
| C30 | C29 | N3 | HN3 | 76.8° | 0.0° |
| C29 | C30 | N2 | C31 | 52.7° | 0.3° |
| C29 | C30 | N2 | C43 | 130.4° | 179.9° |
| N2 | C30 | C29 | N3 | 178.6° | 180.0° |
| N2 | C30 | C29 | H291 | 53.4° | 60.0° |
| N2 | C30 | C29 | H292 | 56.1° | 60.0° |
| C30 | N2 | C31 | C43 | 176.9° | 179.7° |
| C30 | N2 | C31 | C39 | 137.2° | 126.4° |
| C30 | N2 | C31 | H311 | 97.6° | 113.8° |
| C30 | N2 | C31 | H312 | 11.9° | 6.8° |
| C30 | N2 | C43 | C21 | 135.8° | 126.5° |
| C30 | N2 | C43 | H431 | 10.5° | 6.7° |
| C30 | N2 | C43 | H432 | 99.0° | 113.8° |
| N3 | C29 | H291 | H292 | 116.9° | 120.0° |
| C29 | N3 | C27 | HN3 | 180.0° | 180.0° |
| C29 | N3 | C27 | O46 | 9.4° | 0.0° |
| C29 | N3 | C27 | C26 | 170.6° | 180.0° |
| H291 | C29 | N3 | C27 | 131.6° | 60.0° |
| H291 | C29 | N3 | HN3 | 48.4° | 120.0° |
| H292 | C29 | N3 | C27 | 22.1° | 60.0° |
| H292 | C29 | N3 | HN3 | 157.9° | 119.9° |
| N3 | C27 | O46 | C26 | 179.9° | 179.9° |
| N3 | C27 | C26 | C41 | 92.4° | 90.0° |
| N3 | C27 | C26 | N7 | 144.7° | 150.0° |
| N3 | C27 | C26 | H26 | 27.5° | 30.1° |
| HN3 | N3 | C27 | O46 | 170.6° | 180.0° |
| HN3 | N3 | C27 | C26 | 9.5° | 0.0° |
| O46 | C27 | C26 | C41 | 87.5° | 90.0° |
| O46 | C27 | C26 | N7 | 35.4° | 30.1° |
| O46 | C27 | C26 | H26 | 152.5° | 150.0° |
| C27 | C26 | C41 | N7 | 124.4° | 120.0° |
| C27 | C26 | C41 | H26 | 118.2° | 120.0° |
| C27 | C26 | N7 | H26 | 118.0° | 119.9° |
| C27 | C26 | C41 | C32 | 131.6° | 175.2° |
| C27 | C26 | C41 | H411 | 103.2° | 64.8° |
| C27 | C26 | C41 | H412 | 6.3° | 55.2° |
| C27 | C26 | N7 | C24 | 141.9° | 65.3° |
| C27 | C26 | N7 | HN7 | 16.6° | 114.7° |
| C41 | C26 | N7 | H26 | 119.8° | 120.1° |
| C26 | C41 | C32 | H411 | 125.3° | 120.1° |
| C26 | C41 | C32 | H412 | 125.2° | 120.0° |
| C26 | C41 | H411 | H412 | 117.2° | 120.1° |
| C26 | C41 | C32 | C37 | 137.7° | 65.4° |
| C26 | C41 | C32 | C36 | 99.3° | 174.6° |
| C26 | C41 | C32 | H32 | 18.9° | 54.6° |
| C41 | C26 | N7 | C24 | 95.9° | 54.7° |
| C41 | C26 | N7 | HN7 | 138.8° | 125.3° |
| N7 | C26 | C41 | C32 | 104.0° | 64.8° |
| N7 | C26 | C41 | H411 | 21.3° | 55.2° |
| N7 | C26 | C41 | H412 | 130.8° | 175.3° |
| C26 | N7 | C24 | HN7 | 125.3° | 180.0° |
| C26 | N7 | C24 | N5 | 29.1° | 0.0° |
| C26 | N7 | C24 | N4 | 151.3° | 180.0° |
| H26 | C26 | C41 | C32 | 13.4° | 55.2° |
| H26 | C26 | C41 | H411 | 138.6° | 175.2° |
| H26 | C26 | C41 | H412 | 111.9° | 64.7° |
| H26 | C26 | N7 | C24 | 23.9° | 174.8° |
| H26 | C26 | N7 | HN7 | 101.3° | 5.2° |
| C32 | C41 | H411 | H412 | 117.1° | 119.9° |
| C41 | C32 | C37 | C36 | 123.6° | 120.0° |
| C41 | C32 | C37 | H32 | 118.1° | 120.0° |
| C41 | C32 | C36 | H32 | 118.0° | 119.9° |
| C41 | C32 | C37 | H371 | 54.7° | 180.0° |
| C41 | C32 | C37 | H372 | 180.0° | 60.0° |
| C41 | C32 | C37 | H373 | 54.7° | 60.0° |
| C41 | C32 | C36 | H361 | 54.7° | 65.0° |
| C41 | C32 | C36 | H362 | 180.0° | 55.0° |
| C41 | C32 | C36 | H363 | 54.7° | 175.0° |
| H411 | C41 | C32 | C37 | 12.4° | 174.5° |
| H411 | C41 | C32 | C36 | 135.4° | 54.5° |
| H411 | C41 | C32 | H32 | 106.4° | 65.4° |
| H412 | C41 | C32 | C37 | 97.0° | 54.6° |
| H412 | C41 | C32 | C36 | 25.9° | 65.4° |
| H412 | C41 | C32 | H32 | 144.2° | 174.6° |
| C37 | C32 | C36 | H32 | 118.8° | 120.0° |
| C32 | C37 | H371 | H372 | 124.6° | 120.0° |
| C32 | C37 | H371 | H373 | 117.7° | 120.0° |
| C32 | C37 | H372 | H373 | 125.3° | 120.0° |
| C37 | C32 | C36 | H361 | 68.5° | 55.0° |
| C37 | C32 | C36 | H362 | 56.8° | 175.1° |
| C37 | C32 | C36 | H363 | 177.9° | 65.0° |
| C36 | C32 | C37 | H371 | 178.3° | 59.9° |
| C36 | C32 | C37 | H372 | 56.4° | 180.0° |
| C36 | C32 | C37 | H373 | 68.9° | 60.0° |
| C32 | C36 | H361 | H362 | 125.2° | 120.0° |
| C32 | C36 | H361 | H363 | 117.4° | 120.1° |
| C32 | C36 | H362 | H363 | 125.3° | 120.0° |
| H32 | C32 | C37 | H371 | 63.4° | 60.1° |
| H32 | C32 | C37 | H372 | 61.9° | 60.0° |
| H32 | C32 | C37 | H373 | 172.8° | 180.0° |
| H32 | C32 | C36 | H361 | 172.7° | 175.1° |
| H32 | C32 | C36 | H362 | 62.0° | 64.9° |
| H32 | C32 | C36 | H363 | 63.3° | 55.0° |
| H371 | C37 | H372 | H373 | 109.4° | 120.0° |
| H361 | C36 | H362 | H363 | 109.4° | 120.0° |
| N7 | C24 | N5 | N4 | 179.5° | 180.0° |
| N7 | C24 | N5 | HN5 | 120.4° | 180.0° |
| N7 | C24 | N4 | HN41 | 54.7° | 180.0° |
| N7 | C24 | N4 | HN42 | 180.0° | 0.0° |
| HN7 | N7 | C24 | N5 | 96.1° | 180.0° |
| HN7 | N7 | C24 | N4 | 83.4° | 0.0° |
| N5 | C24 | N4 | HN41 | 124.8° | 0.0° |
| N5 | C24 | N4 | HN42 | 0.4° | 180.0° |
| N4 | C24 | N5 | HN5 | 59.2° | 0.1° |
| C24 | N4 | HN41 | HN42 | 131.6° | 180.0° |
| N2 | C31 | C39 | H311 | 125.3° | 120.1° |
| N2 | C31 | C39 | H312 | 125.3° | 119.6° |
| N2 | C31 | H311 | H312 | 117.9° | 120.4° |
| N2 | C31 | C39 | C19 | 53.1° | 54.9° |
| N2 | C31 | C39 | H391 | 178.3° | 65.1° |
| N2 | C31 | C39 | H392 | 72.1° | 174.7° |
| C31 | N2 | C43 | C21 | 47.2° | 53.9° |
| C31 | N2 | C43 | H431 | 172.5° | 173.6° |
| C31 | N2 | C43 | H432 | 78.0° | 65.9° |
| C43 | N2 | C31 | C39 | 45.9° | 54.0° |
| C43 | N2 | C31 | H311 | 79.3° | 65.9° |
| C43 | N2 | C31 | H312 | 171.2° | 173.6° |
| N2 | C43 | C21 | C19 | 55.5° | 54.6° |
| N2 | C43 | C21 | H431 | 125.3° | 119.8° |
| N2 | C43 | C21 | H432 | 125.3° | 119.8° |
| N2 | C43 | C21 | H211 | 179.2° | 65.3° |
| N2 | C43 | C21 | H212 | 69.7° | 174.6° |
| N2 | C43 | H431 | H432 | 118.0° | 120.4° |
| C39 | C31 | H311 | H312 | 117.9° | 120.3° |
| C31 | C39 | C19 | H391 | 125.3° | 120.1° |
| C31 | C39 | C19 | H392 | 125.3° | 119.8° |
| C31 | C39 | H391 | H392 | 118.1° | 120.1° |
| C31 | C39 | C19 | C21 | 65.0° | 61.5° |
| C31 | C39 | C19 | C23 | 172.3° | 178.5° |
| C31 | C39 | C19 | H19 | 55.2° | 58.5° |
| H311 | C31 | C39 | C19 | 72.1° | 65.2° |
| H311 | C31 | C39 | H391 | 53.1° | 174.8° |
| H311 | C31 | C39 | H392 | 162.6° | 54.6° |
| H312 | C31 | C39 | C19 | 178.4° | 174.5° |
| H312 | C31 | C39 | H391 | 56.4° | 54.5° |
| H312 | C31 | C39 | H392 | 53.1° | 65.7° |
| C19 | C39 | H391 | H392 | 118.0° | 120.0° |
| C39 | C19 | C21 | C23 | 122.5° | 120.0° |
| C39 | C19 | C21 | H19 | 120.4° | 120.0° |
| C39 | C19 | C23 | H19 | 120.2° | 120.0° |
| C39 | C19 | C21 | C43 | 66.0° | 61.3° |
| C39 | C19 | C21 | H211 | 168.8° | 58.6° |
| C39 | C19 | C21 | H212 | 59.3° | 178.7° |
| C39 | C19 | C23 | N8 | 138.3° | 90.3° |
| C39 | C19 | C23 | C13 | 39.7° | 90.1° |
| H391 | C39 | C19 | C21 | 169.8° | 58.6° |
| H391 | C39 | C19 | C23 | 47.1° | 61.4° |
| H391 | C39 | C19 | H19 | 70.1° | 178.6° |
| H392 | C39 | C19 | C21 | 60.3° | 178.7° |
| H392 | C39 | C19 | C23 | 62.4° | 58.7° |
| H392 | C39 | C19 | H19 | 179.6° | 61.3° |
| C21 | C19 | C23 | H19 | 120.0° | 120.0° |
| C19 | C21 | C43 | H211 | 125.3° | 119.9° |
| C19 | C21 | C43 | H212 | 125.3° | 120.0° |
| C19 | C21 | H211 | H212 | 118.4° | 120.1° |
| C19 | C21 | C43 | H431 | 179.2° | 174.4° |
| C19 | C21 | C43 | H432 | 69.7° | 65.2° |
| C21 | C19 | C23 | N8 | 101.9° | 149.6° |
| C21 | C19 | C23 | C13 | 80.2° | 30.0° |
| C23 | C19 | C21 | C43 | 171.5° | 178.6° |
| C23 | C19 | C21 | H211 | 46.3° | 61.4° |
| C23 | C19 | C21 | H212 | 63.2° | 58.6° |
| C19 | C23 | N8 | C13 | 178.5° | 179.7° |
| C19 | C23 | N8 | C38 | 6.7° | 0.4° |
| C19 | C23 | N8 | N6 | 172.9° | 179.9° |
| C19 | C23 | C13 | C14 | 171.5° | 179.9° |
| C19 | C23 | C13 | H13 | 8.6° | 0.0° |
| H19 | C19 | C21 | C43 | 54.4° | 58.7° |
| H19 | C19 | C21 | H211 | 70.9° | 178.6° |
| H19 | C19 | C21 | H212 | 179.6° | 61.3° |
| H19 | C19 | C23 | N8 | 18.0° | 29.7° |
| H19 | C19 | C23 | C13 | 159.9° | 149.9° |
| C43 | C21 | H211 | H212 | 118.4° | 120.1° |
| C21 | C43 | H431 | H432 | 118.0° | 120.3° |
| H211 | C21 | C43 | H431 | 53.9° | 54.5° |
| H211 | C21 | C43 | H432 | 55.5° | 174.9° |
| H212 | C21 | C43 | H431 | 55.5° | 65.6° |
| H212 | C21 | C43 | H432 | 165.0° | 54.9° |
| C23 | N8 | C38 | N6 | 179.6° | 179.5° |
| C23 | N8 | C38 | H381 | 54.7° | 90.5° |
| C23 | N8 | C38 | H382 | 180.0° | 29.4° |
| C23 | N8 | C38 | H383 | 54.7° | 149.5° |
| C23 | N8 | N6 | C14 | 5.9° | 0.4° |
| N8 | C23 | C13 | C14 | 10.2° | 0.2° |
| N8 | C23 | C13 | H13 | 169.8° | 179.7° |
| C13 | C23 | N8 | C38 | 171.7° | 180.0° |
| C13 | C23 | N8 | N6 | 8.7° | 0.4° |
| C23 | C13 | C14 | N6 | 6.8° | 0.0° |
| C23 | C13 | C14 | H13 | 180.0° | 179.9° |
| C23 | C13 | C14 | C11 | 174.5° | 179.9° |
| N8 | C38 | H381 | H382 | 138.6° | 119.9° |
| N8 | C38 | H381 | H383 | 110.7° | 120.0° |
| N8 | C38 | H382 | H383 | 125.2° | 120.0° |
| C38 | N8 | N6 | C14 | 174.5° | 180.0° |
| N6 | N8 | C38 | H381 | 124.9° | 90.0° |
| N6 | N8 | C38 | H382 | 0.4° | 150.1° |
| N6 | N8 | C38 | H383 | 125.7° | 30.0° |
| N8 | N6 | C14 | C13 | 0.2° | 0.3° |
| N8 | N6 | C14 | C11 | 178.5° | 179.8° |
| H381 | C38 | H382 | H383 | 109.5° | 120.0° |
| N6 | C14 | C13 | C11 | 178.7° | 179.9° |
| N6 | C14 | C13 | H13 | 173.2° | 180.0° |
| N6 | C14 | C11 | C15 | 25.8° | 39.8° |
| N6 | C14 | C11 | C34 | 154.3° | 140.0° |
| C13 | C14 | C11 | C15 | 152.5° | 140.3° |
| C13 | C14 | C11 | C34 | 27.3° | 39.9° |
| H13 | C13 | C14 | C11 | 5.5° | 0.1° |
| C14 | C11 | C15 | C34 | 179.8° | 179.8° |
| C14 | C11 | C15 | C17 | 178.0° | 180.0° |
| C14 | C11 | C15 | H15 | 2.0° | 0.0° |
| C14 | C11 | C34 | C33 | 180.0° | 179.7° |
| C14 | C11 | C34 | CL10 | 0.2° | 0.2° |
| C11 | C15 | C17 | H15 | 180.0° | 179.9° |
| C11 | C15 | C17 | C20 | 3.7° | 0.1° |
| C11 | C15 | C17 | H17 | 176.3° | 180.0° |
| C15 | C11 | C34 | C33 | 0.2° | 0.5° |
| C15 | C11 | C34 | CL10 | 180.0° | 180.0° |
| C34 | C11 | C15 | C17 | 1.8° | 0.2° |
| C34 | C11 | C15 | H15 | 178.2° | 179.8° |
| C11 | C34 | C33 | C20 | 0.2° | 0.5° |
| C11 | C34 | C33 | CL10 | 179.9° | 179.5° |
| C11 | C34 | C33 | CL9 | 179.9° | 179.8° |
| C15 | C17 | C20 | H17 | 180.0° | 179.9° |
| C15 | C17 | C20 | C33 | 3.7° | 0.1° |
| C15 | C17 | C20 | O45 | 176.1° | 180.0° |
| H15 | C15 | C17 | C20 | 176.3° | 179.9° |
| H15 | C15 | C17 | H17 | 3.7° | 0.1° |
| C17 | C20 | C33 | O45 | 179.9° | 179.9° |
| C17 | C20 | C33 | C34 | 1.8° | 0.2° |
| C17 | C20 | C33 | CL9 | 178.2° | 179.9° |
| C17 | C20 | O45 | C40 | 4.5° | 0.1° |
| H17 | C17 | C20 | C33 | 176.3° | 180.0° |
| H17 | C17 | C20 | O45 | 3.8° | 0.1° |
| C20 | C33 | C34 | CL9 | 179.9° | 179.8° |
| C20 | C33 | C34 | CL10 | 179.9° | 180.0° |
| C33 | C20 | O45 | C40 | 175.7° | 180.0° |
| O45 | C20 | C33 | C34 | 178.1° | 179.8° |
| O45 | C20 | C33 | CL9 | 2.0° | 0.0° |
| C20 | O45 | C40 | C22 | 59.9° | 180.0° |
| C20 | O45 | C40 | H401 | 65.4° | 60.0° |
| C20 | O45 | C40 | H402 | 174.9° | 60.0° |
| CL9 | C33 | C34 | CL10 | 0.0° | 0.3° |
| O45 | C40 | C22 | H401 | 125.3° | 120.0° |
| O45 | C40 | C22 | H402 | 125.3° | 120.1° |
| O45 | C40 | H401 | H402 | 118.2° | 120.1° |
| O45 | C40 | C22 | C28 | 173.8° | 90.2° |
| O45 | C40 | C22 | C16 | 6.4° | 90.0° |
| C22 | C40 | H401 | H402 | 118.2° | 119.9° |
| C40 | C22 | C28 | C16 | 179.8° | 179.8° |
| C40 | C22 | C28 | C25 | 172.2° | 179.7° |
| C40 | C22 | C28 | H28 | 7.8° | 0.3° |
| C40 | C22 | C16 | C18 | 179.0° | 180.0° |
| C40 | C22 | C16 | H16 | 1.1° | 0.0° |
| H401 | C40 | C22 | C28 | 48.5° | 29.7° |
| H401 | C40 | C22 | C16 | 131.7° | 150.0° |
| H402 | C40 | C22 | C28 | 61.0° | 149.7° |
| H402 | C40 | C22 | C16 | 118.9° | 30.1° |
| C22 | C28 | C25 | H28 | 180.0° | 179.5° |
| C22 | C28 | C25 | C35 | 14.2° | 0.5° |
| C22 | C28 | C25 | H25 | 165.8° | 179.7° |
| C28 | C22 | C16 | C18 | 0.9° | 0.3° |
| C28 | C22 | C16 | H16 | 179.1° | 179.8° |
| C16 | C22 | C28 | C25 | 7.7° | 0.5° |
| C16 | C22 | C28 | H28 | 172.3° | 180.0° |
| C22 | C16 | C18 | C35 | 0.5° | 0.0° |
| C22 | C16 | C18 | H16 | 180.0° | 180.0° |
| C22 | C16 | C18 | H18 | 179.5° | 180.0° |
| C28 | C25 | C35 | H25 | 180.0° | 179.8° |
| C28 | C25 | C35 | C18 | 14.0° | 0.2° |
| C28 | C25 | C35 | N1 | 166.2° | 179.7° |
| H28 | C28 | C25 | C35 | 165.8° | 179.9° |
| H28 | C28 | C25 | H25 | 14.2° | 0.3° |
| C25 | C35 | C18 | N1 | 179.8° | 179.9° |
| C25 | C35 | C18 | C16 | 7.1° | 0.0° |
| C25 | C35 | C18 | H18 | 172.9° | 180.0° |
| C25 | C35 | N1 | C12 | 96.8° | 145.4° |
| C25 | C35 | N1 | HN1 | 83.2° | 34.7° |
| H25 | C25 | C35 | C18 | 166.0° | 180.0° |
| H25 | C25 | C35 | N1 | 13.8° | 0.1° |
| C35 | C18 | C16 | H18 | 180.0° | 180.0° |
| C35 | C18 | C16 | H16 | 179.4° | 180.0° |
| C18 | C35 | N1 | C12 | 83.0° | 34.6° |
| C18 | C35 | N1 | HN1 | 97.0° | 145.4° |
| N1 | C35 | C18 | C16 | 173.1° | 179.9° |
| N1 | C35 | C18 | H18 | 6.9° | 0.0° |
| C35 | N1 | C12 | HN1 | 180.0° | 180.0° |
| C35 | N1 | C12 | O44 | 149.2° | 5.7° |
| C35 | N1 | C12 | C42 | 31.2° | 174.3° |
| H18 | C18 | C16 | H16 | 0.6° | 0.0° |
| N1 | C12 | O44 | C42 | 179.6° | 179.9° |
| N1 | C12 | C42 | H421 | 54.7° | 180.0° |
| N1 | C12 | C42 | H422 | 180.0° | 60.1° |
| N1 | C12 | C42 | H423 | 54.8° | 60.0° |
| HN1 | N1 | C12 | O44 | 30.8° | 174.4° |
| HN1 | N1 | C12 | C42 | 148.8° | 5.7° |
| O44 | C12 | C42 | H421 | 124.9° | 0.0° |
| O44 | C12 | C42 | H422 | 0.4° | 120.0° |
| O44 | C12 | C42 | H423 | 125.6° | 120.0° |
| C12 | C42 | H421 | H422 | 129.2° | 120.0° |
| C12 | C42 | H421 | H423 | 115.4° | 120.0° |
| C12 | C42 | H422 | H423 | 125.3° | 120.0° |
| H421 | C42 | H422 | H423 | 109.5° | 120.0° |
