JJX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | N31 | sing | 1.47Å | 1.50Å | |
| C34 | N35 | sing | 1.47Å | 1.48Å | |
| N35 | C38 | sing | 1.47Å | 1.51Å | |
| N35 | C36 | sing | 1.47Å | 1.51Å | |
| C38 | C40 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.58Å | |
| C37 | N31 | sing | 1.47Å | 1.48Å | |
| N31 | C30 | sing | 1.35Å | 1.35Å | |
| C30 | O32 | doub | 1.21Å | 1.24Å | |
| C30 | C29 | sing | 1.51Å | 1.59Å | |
| C29 | N12 | sing | 1.47Å | 1.50Å | |
| N12 | C11 | sing | 1.35Å | 1.41Å | |
| N12 | C7 | sing | 1.47Å | 1.47Å | |
| C11 | O21 | doub | 1.22Å | 1.23Å | |
| C11 | N10 | sing | 1.34Å | 1.37Å | |
| C7 | C3 | sing | 1.51Å | 1.58Å | |
| C7 | C8 | sing | 1.52Å | 1.50Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C19 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C19 | N20 | trip | 1.14Å | 1.14Å | |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C27 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | doub | 1.35Å | 1.40Å | |
| C27 | N28 | trip | 1.14Å | 1.15Å | |
| C9 | C22 | sing | 1.51Å | 1.52Å | |
| C9 | N10 | sing | 1.37Å | 1.42Å | |
| N10 | C13 | sing | 1.40Å | 1.42Å | |
| C13 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C23 | sing | 1.51Å | 1.56Å | |
| C23 | F25 | sing | 1.40Å | 1.36Å | |
| C23 | F26 | sing | 1.40Å | 1.34Å | |
| C23 | F24 | sing | 1.40Å | 1.32Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | N31 | 111.2° | 108.5° |
| C33 | C34 | N35 | 107.2° | 109.4° |
| C34 | C33 | H331 | 109.0° | 109.6° |
| C34 | C33 | H332 | 109.1° | 109.7° |
| C33 | C34 | H341 | 110.0° | 109.4° |
| C33 | C34 | H342 | 110.0° | 109.5° |
| C33 | N31 | C37 | 115.6° | 118.2° |
| C33 | N31 | C30 | 121.2° | 120.9° |
| N31 | C33 | H331 | 109.1° | 109.6° |
| N31 | C33 | H332 | 109.0° | 109.6° |
| C34 | N35 | C38 | 108.3° | 111.0° |
| C34 | N35 | C36 | 110.2° | 111.2° |
| N35 | C34 | H341 | 110.0° | 109.5° |
| N35 | C34 | H342 | 110.0° | 109.5° |
| C38 | N35 | C36 | 118.7° | 111.0° |
| N35 | C38 | C40 | 114.7° | 109.5° |
| N35 | C38 | C39 | 110.0° | 109.5° |
| N35 | C38 | H38 | 107.2° | 109.4° |
| N35 | C36 | C37 | 109.5° | 109.4° |
| N35 | C36 | H361 | 109.5° | 109.5° |
| N35 | C36 | H362 | 109.5° | 109.4° |
| C40 | C38 | C39 | 110.8° | 109.5° |
| C40 | C38 | H38 | 106.7° | 109.5° |
| C38 | C40 | H401 | 109.5° | 109.5° |
| C38 | C40 | H402 | 109.5° | 109.4° |
| C38 | C40 | H403 | 109.5° | 109.5° |
| C39 | C38 | H38 | 106.9° | 109.5° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.4° |
| C38 | C39 | H393 | 109.5° | 109.5° |
| C36 | C37 | N31 | 109.5° | 108.5° |
| C37 | C36 | H361 | 109.4° | 109.5° |
| C37 | C36 | H362 | 109.4° | 109.5° |
| C36 | C37 | H371 | 109.5° | 109.6° |
| C36 | C37 | H372 | 109.5° | 109.7° |
| C37 | N31 | C30 | 123.2° | 120.9° |
| N31 | C37 | H371 | 109.5° | 109.6° |
| N31 | C37 | H372 | 109.5° | 109.6° |
| N31 | C30 | O32 | 117.8° | 120.0° |
| N31 | C30 | C29 | 121.9° | 120.0° |
| O32 | C30 | C29 | 120.3° | 120.0° |
| C30 | C29 | N12 | 106.9° | 109.5° |
| C30 | C29 | H291 | 110.1° | 109.5° |
| C30 | C29 | H292 | 110.1° | 109.5° |
| C29 | N12 | C11 | 117.9° | 120.8° |
| C29 | N12 | C7 | 119.9° | 120.8° |
| N12 | C29 | H291 | 110.1° | 109.5° |
| N12 | C29 | H292 | 110.1° | 109.4° |
| C11 | N12 | C7 | 122.2° | 118.4° |
| N12 | C11 | O21 | 117.2° | 118.9° |
| N12 | C11 | N10 | 121.4° | 122.2° |
| N12 | C7 | C3 | 102.3° | 107.9° |
| N12 | C7 | C8 | 113.1° | 117.0° |
| N12 | C7 | H7 | 110.4° | 107.9° |
| O21 | C11 | N10 | 121.4° | 118.9° |
| C11 | N10 | C9 | 119.6° | 123.6° |
| C11 | N10 | C13 | 120.3° | 118.2° |
| C3 | C7 | C8 | 112.0° | 107.9° |
| C7 | C3 | C2 | 120.1° | 119.8° |
| C7 | C3 | C4 | 122.8° | 119.8° |
| C3 | C7 | H7 | 108.9° | 107.8° |
| C7 | C8 | C27 | 117.2° | 121.1° |
| C7 | C8 | C9 | 120.0° | 117.8° |
| C8 | C7 | H7 | 109.9° | 107.9° |
| C2 | C3 | C4 | 117.0° | 120.3° |
| C3 | C2 | C1 | 122.1° | 120.1° |
| C3 | C2 | H2 | 118.9° | 119.9° |
| C3 | C4 | C5 | 122.2° | 120.1° |
| C3 | C4 | H4 | 118.9° | 120.0° |
| C2 | C1 | C6 | 119.4° | 119.9° |
| C1 | C2 | H2 | 118.9° | 120.0° |
| C2 | C1 | H1 | 120.3° | 120.1° |
| C1 | C6 | C19 | 118.2° | 120.2° |
| C1 | C6 | C5 | 120.5° | 119.7° |
| C6 | C1 | H1 | 120.3° | 120.1° |
| C19 | C6 | C5 | 121.3° | 120.2° |
| C6 | C19 | N20 | 179.6° | 179.9° |
| C6 | C5 | C4 | 118.8° | 119.9° |
| C6 | C5 | H5 | 120.6° | 120.1° |
| C5 | C4 | H4 | 118.9° | 119.9° |
| C4 | C5 | H5 | 120.6° | 120.1° |
| C27 | C8 | C9 | 121.8° | 121.1° |
| C8 | C27 | N28 | 179.3° | 179.9° |
| C8 | C9 | C22 | 119.4° | 119.5° |
| C8 | C9 | N10 | 121.6° | 121.1° |
| C22 | C9 | N10 | 118.9° | 119.4° |
| C9 | C22 | H221 | 109.5° | 109.4° |
| C9 | C22 | H222 | 109.5° | 109.5° |
| C9 | C22 | H223 | 109.4° | 109.5° |
| C9 | N10 | C13 | 119.9° | 118.2° |
| N10 | C13 | C18 | 116.8° | 120.1° |
| N10 | C13 | C14 | 123.8° | 120.0° |
| C18 | C13 | C14 | 119.4° | 119.9° |
| C13 | C18 | C17 | 121.4° | 119.9° |
| C13 | C18 | H18 | 119.3° | 120.0° |
| C13 | C14 | C15 | 118.6° | 119.9° |
| C13 | C14 | H14 | 120.7° | 120.0° |
| C18 | C17 | C16 | 118.2° | 120.1° |
| C18 | C17 | C23 | 122.8° | 119.9° |
| C17 | C18 | H18 | 119.2° | 120.1° |
| C14 | C15 | C16 | 121.0° | 120.1° |
| C15 | C14 | H14 | 120.7° | 120.1° |
| C14 | C15 | H15 | 119.5° | 119.9° |
| C15 | C16 | C17 | 121.2° | 120.2° |
| C16 | C15 | H15 | 119.5° | 120.0° |
| C15 | C16 | H16 | 119.4° | 119.9° |
| C16 | C17 | C23 | 118.8° | 120.0° |
| C17 | C16 | H16 | 119.4° | 119.9° |
| C17 | C23 | F25 | 111.7° | 109.4° |
| C17 | C23 | F26 | 111.4° | 109.5° |
| C17 | C23 | F24 | 106.1° | 109.5° |
| F25 | C23 | F26 | 114.1° | 109.5° |
| F25 | C23 | F24 | 108.5° | 109.5° |
| F26 | C23 | F24 | 104.4° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.7° |
| H341 | C34 | H342 | 109.5° | 109.6° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.4° |
| H391 | C39 | H392 | 109.4° | 109.5° |
| H391 | C39 | H393 | 109.4° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.5° | 109.8° |
| H291 | C29 | H292 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | N31 | H331 | 120.3° | 119.7° |
| C34 | C33 | N31 | H332 | 120.3° | 119.8° |
| C33 | C34 | N35 | H341 | 119.6° | 119.9° |
| C33 | C34 | N35 | H342 | 119.6° | 120.0° |
| C33 | C34 | N35 | C38 | 163.7° | 172.8° |
| C33 | C34 | N35 | C36 | 65.0° | 63.1° |
| C34 | C33 | N31 | C37 | 52.5° | 51.1° |
| C34 | C33 | N31 | C30 | 125.8° | 128.8° |
| C34 | C33 | H331 | H332 | 119.2° | 120.5° |
| C33 | C34 | H341 | H342 | 121.0° | 120.1° |
| N31 | C33 | C34 | N35 | 58.0° | 53.8° |
| C33 | N31 | C37 | C36 | 48.8° | 51.2° |
| C33 | N31 | C37 | C30 | 178.3° | 180.0° |
| C33 | N31 | C30 | O32 | 179.0° | 0.0° |
| C33 | N31 | C30 | C29 | 0.8° | 180.0° |
| N31 | C33 | H331 | H332 | 119.2° | 120.4° |
| N31 | C33 | C34 | H341 | 61.6° | 66.1° |
| N31 | C33 | C34 | H342 | 177.7° | 173.8° |
| C33 | N31 | C37 | H371 | 168.8° | 170.9° |
| C33 | N31 | C37 | H372 | 71.1° | 68.6° |
| C34 | N35 | C38 | C36 | 126.5° | 124.3° |
| C34 | N35 | C38 | C40 | 75.1° | 175.0° |
| C34 | N35 | C38 | C39 | 159.2° | 65.0° |
| C34 | N35 | C36 | C37 | 63.3° | 63.1° |
| N35 | C34 | C33 | H331 | 62.2° | 65.9° |
| N35 | C34 | C33 | H332 | 178.3° | 173.6° |
| N35 | C34 | H341 | H342 | 121.0° | 120.1° |
| C34 | N35 | C38 | H38 | 43.3° | 55.0° |
| C34 | N35 | C36 | H361 | 56.7° | 56.9° |
| C34 | N35 | C36 | H362 | 176.7° | 176.9° |
| N35 | C38 | C40 | C39 | 125.4° | 120.0° |
| N35 | C38 | C40 | H38 | 118.6° | 120.0° |
| N35 | C38 | C39 | H38 | 116.1° | 120.0° |
| C38 | N35 | C36 | C37 | 171.0° | 172.7° |
| C38 | N35 | C34 | H341 | 76.7° | 67.3° |
| C38 | N35 | C34 | H342 | 44.0° | 52.8° |
| C38 | N35 | C36 | H361 | 69.0° | 67.2° |
| C38 | N35 | C36 | H362 | 51.0° | 52.8° |
| N35 | C38 | C40 | H401 | 180.0° | 180.0° |
| N35 | C38 | C40 | H402 | 60.0° | 59.9° |
| N35 | C38 | C40 | H403 | 60.0° | 60.0° |
| N35 | C38 | C39 | H391 | 180.0° | 60.0° |
| N35 | C38 | C39 | H392 | 60.0° | 180.0° |
| N35 | C38 | C39 | H393 | 60.0° | 60.0° |
| C36 | N35 | C38 | C40 | 51.5° | 60.7° |
| C36 | N35 | C38 | C39 | 74.3° | 59.3° |
| N35 | C36 | C37 | H361 | 120.0° | 120.0° |
| N35 | C36 | C37 | H362 | 120.0° | 119.9° |
| N35 | C36 | C37 | N31 | 52.8° | 53.9° |
| C36 | N35 | C34 | H341 | 54.6° | 56.8° |
| C36 | N35 | C34 | H342 | 175.4° | 177.0° |
| C36 | N35 | C38 | H38 | 169.8° | 179.3° |
| N35 | C36 | H361 | H362 | 120.0° | 120.0° |
| N35 | C36 | C37 | H371 | 172.8° | 173.5° |
| N35 | C36 | C37 | H372 | 67.2° | 65.8° |
| C40 | C38 | C39 | H38 | 116.0° | 120.0° |
| C38 | C40 | H401 | H402 | 120.0° | 120.0° |
| C38 | C40 | H401 | H403 | 120.0° | 120.0° |
| C38 | C40 | H402 | H403 | 120.0° | 120.0° |
| C40 | C38 | C39 | H391 | 52.0° | 179.9° |
| C40 | C38 | C39 | H392 | 172.1° | 59.9° |
| C40 | C38 | C39 | H393 | 67.9° | 60.0° |
| C39 | C38 | C40 | H401 | 54.7° | 60.0° |
| C39 | C38 | C40 | H402 | 65.3° | 180.0° |
| C39 | C38 | C40 | H403 | 174.6° | 60.1° |
| C38 | C39 | H391 | H392 | 120.0° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C38 | C39 | H392 | H393 | 120.0° | 119.9° |
| C36 | C37 | N31 | H371 | 120.0° | 119.7° |
| C36 | C37 | N31 | H372 | 120.0° | 119.8° |
| C36 | C37 | N31 | C30 | 129.5° | 128.8° |
| C37 | C36 | H361 | H362 | 119.9° | 120.1° |
| C36 | C37 | H371 | H372 | 120.0° | 120.6° |
| C37 | N31 | C30 | O32 | 0.8° | 180.0° |
| C37 | N31 | C30 | C29 | 179.0° | 0.0° |
| C37 | N31 | C33 | H331 | 67.7° | 68.6° |
| C37 | N31 | C33 | H332 | 172.8° | 170.9° |
| N31 | C37 | C36 | H361 | 67.2° | 66.2° |
| N31 | C37 | C36 | H362 | 172.8° | 173.8° |
| N31 | C37 | H371 | H372 | 120.0° | 120.4° |
| N31 | C30 | O32 | C29 | 179.8° | 180.0° |
| N31 | C30 | C29 | N12 | 175.3° | 180.0° |
| C30 | N31 | C33 | H331 | 113.9° | 111.4° |
| C30 | N31 | C33 | H332 | 5.6° | 9.1° |
| C30 | N31 | C37 | H371 | 9.5° | 9.1° |
| C30 | N31 | C37 | H372 | 110.5° | 111.4° |
| N31 | C30 | C29 | H291 | 65.0° | 60.0° |
| N31 | C30 | C29 | H292 | 55.7° | 60.0° |
| O32 | C30 | C29 | N12 | 4.4° | 0.0° |
| O32 | C30 | C29 | H291 | 115.2° | 120.0° |
| O32 | C30 | C29 | H292 | 124.0° | 120.0° |
| C30 | C29 | N12 | H291 | 119.6° | 120.0° |
| C30 | C29 | N12 | H292 | 119.6° | 120.0° |
| C30 | C29 | N12 | C11 | 107.4° | 90.0° |
| C30 | C29 | N12 | C7 | 73.8° | 90.2° |
| C30 | C29 | H291 | H292 | 121.2° | 120.0° |
| C29 | N12 | C11 | C7 | 178.8° | 179.7° |
| C29 | N12 | C11 | O21 | 3.8° | 0.0° |
| C29 | N12 | C11 | N10 | 174.0° | 180.0° |
| C29 | N12 | C7 | C3 | 73.0° | 58.1° |
| C29 | N12 | C7 | C8 | 166.3° | 180.0° |
| N12 | C29 | H291 | H292 | 121.2° | 119.9° |
| C29 | N12 | C7 | H7 | 42.7° | 58.1° |
| N12 | C11 | O21 | N10 | 177.8° | 180.0° |
| C11 | N12 | C7 | C3 | 105.8° | 121.6° |
| C11 | N12 | C7 | C8 | 14.9° | 0.3° |
| N12 | C11 | N10 | C9 | 0.3° | 0.1° |
| N12 | C11 | N10 | C13 | 174.2° | 180.0° |
| C11 | N12 | C29 | H291 | 12.2° | 30.0° |
| C11 | N12 | C29 | H292 | 133.0° | 150.0° |
| C11 | N12 | C7 | H7 | 138.5° | 122.1° |
| C7 | N12 | C11 | O21 | 174.9° | 179.8° |
| C7 | N12 | C11 | N10 | 7.3° | 0.2° |
| N12 | C7 | C3 | C8 | 121.5° | 127.3° |
| N12 | C7 | C3 | H7 | 116.8° | 116.3° |
| N12 | C7 | C8 | H7 | 123.9° | 121.9° |
| N12 | C7 | C3 | C2 | 133.2° | 140.0° |
| N12 | C7 | C3 | C4 | 44.1° | 40.3° |
| N12 | C7 | C8 | C27 | 174.1° | 180.0° |
| N12 | C7 | C8 | C9 | 16.8° | 0.1° |
| C7 | N12 | C29 | H291 | 166.6° | 149.7° |
| C7 | N12 | C29 | H292 | 45.8° | 29.7° |
| O21 | C11 | N10 | C9 | 178.0° | 179.9° |
| O21 | C11 | N10 | C13 | 8.1° | 0.0° |
| C11 | N10 | C9 | C8 | 2.6° | 0.4° |
| C11 | N10 | C9 | C22 | 178.4° | 179.9° |
| C11 | N10 | C9 | C13 | 174.0° | 179.9° |
| C11 | N10 | C13 | C18 | 87.5° | 89.1° |
| C11 | N10 | C13 | C14 | 93.4° | 90.6° |
| C3 | C7 | C8 | H7 | 121.1° | 116.3° |
| C7 | C3 | C2 | C4 | 177.5° | 179.8° |
| C7 | C3 | C2 | C1 | 176.5° | 180.0° |
| C7 | C3 | C4 | C5 | 177.4° | 179.7° |
| C3 | C7 | C8 | C27 | 70.9° | 58.2° |
| C3 | C7 | C8 | C9 | 98.1° | 121.9° |
| C7 | C3 | C2 | H2 | 3.5° | 0.0° |
| C7 | C3 | C4 | H4 | 2.6° | 0.0° |
| C8 | C7 | C3 | C2 | 105.3° | 92.7° |
| C8 | C7 | C3 | C4 | 77.3° | 87.0° |
| C7 | C8 | C27 | C9 | 168.8° | 179.9° |
| C7 | C8 | C27 | N28 | 150.9° | 78.8° |
| C7 | C8 | C9 | C22 | 172.7° | 180.0° |
| C7 | C8 | C9 | N10 | 11.5° | 0.4° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.7° | 0.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C2 | C3 | C7 | H7 | 16.4° | 23.6° |
| C2 | C3 | C4 | H4 | 179.9° | 179.7° |
| C3 | C2 | C1 | H1 | 179.3° | 180.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.3° |
| C3 | C4 | C5 | C6 | 1.1° | 0.5° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C4 | C3 | C7 | H7 | 161.0° | 156.6° |
| C4 | C3 | C2 | H2 | 179.0° | 179.7° |
| C3 | C4 | C5 | H5 | 178.9° | 179.8° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C19 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C1 | C6 | C19 | C5 | 179.4° | 180.0° |
| C1 | C6 | C19 | N20 | 177.0° | 130.1° |
| C1 | C6 | C5 | C4 | 1.4° | 0.3° |
| C6 | C1 | C2 | H2 | 179.2° | 180.0° |
| C1 | C6 | C5 | H5 | 178.6° | 180.0° |
| C19 | C6 | C5 | C4 | 179.3° | 179.7° |
| C19 | C6 | C1 | H1 | 0.1° | 0.0° |
| C19 | C6 | C5 | H5 | 0.7° | 0.0° |
| C5 | C6 | C19 | N20 | 3.7° | 49.9° |
| C6 | C5 | C4 | H5 | 180.0° | 179.7° |
| C6 | C5 | C4 | H4 | 178.9° | 179.8° |
| C5 | C6 | C1 | H1 | 179.5° | 180.0° |
| C27 | C8 | C9 | C22 | 4.2° | 0.1° |
| C27 | C8 | C9 | N10 | 180.0° | 179.7° |
| C27 | C8 | C7 | H7 | 50.3° | 58.1° |
| C9 | C8 | C27 | N28 | 17.9° | 101.3° |
| C8 | C9 | C22 | N10 | 175.9° | 179.6° |
| C8 | C9 | N10 | C13 | 176.6° | 179.7° |
| C9 | C8 | C7 | H7 | 140.7° | 121.8° |
| C8 | C9 | C22 | H221 | 180.0° | 5.1° |
| C8 | C9 | C22 | H222 | 60.0° | 125.1° |
| C8 | C9 | C22 | H223 | 60.0° | 114.9° |
| C22 | C9 | N10 | C13 | 7.6° | 0.1° |
| C9 | C22 | H221 | H222 | 120.0° | 120.0° |
| C9 | C22 | H221 | H223 | 120.0° | 120.0° |
| C9 | C22 | H222 | H223 | 120.0° | 120.0° |
| C9 | N10 | C13 | C18 | 86.5° | 90.8° |
| C9 | N10 | C13 | C14 | 92.7° | 89.5° |
| N10 | C9 | C22 | H221 | 4.1° | 175.2° |
| N10 | C9 | C22 | H222 | 124.1° | 55.3° |
| N10 | C9 | C22 | H223 | 115.9° | 64.8° |
| N10 | C13 | C18 | C14 | 179.2° | 179.7° |
| N10 | C13 | C18 | C17 | 179.5° | 179.9° |
| N10 | C13 | C14 | C15 | 179.6° | 180.0° |
| N10 | C13 | C18 | H18 | 0.5° | 0.0° |
| N10 | C13 | C14 | H14 | 0.4° | 0.0° |
| C13 | C18 | C17 | H18 | 180.0° | 180.0° |
| C18 | C13 | C14 | C15 | 0.5° | 0.3° |
| C13 | C18 | C17 | C16 | 1.2° | 0.0° |
| C13 | C18 | C17 | C23 | 175.8° | 179.9° |
| C18 | C13 | C14 | H14 | 179.5° | 179.7° |
| C14 | C13 | C18 | C17 | 0.3° | 0.2° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.1° |
| C14 | C13 | C18 | H18 | 179.7° | 179.7° |
| C13 | C14 | C15 | H15 | 179.2° | 180.0° |
| C18 | C17 | C16 | C15 | 2.5° | 0.2° |
| C18 | C17 | C16 | C23 | 174.9° | 179.9° |
| C18 | C17 | C23 | F25 | 152.3° | 90.0° |
| C18 | C17 | C23 | F26 | 23.3° | 150.0° |
| C18 | C17 | C23 | F24 | 89.7° | 29.9° |
| C18 | C17 | C16 | H16 | 177.5° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 2.3° | 0.2° |
| C14 | C15 | C16 | H16 | 177.7° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | C23 | 177.4° | 179.8° |
| C16 | C15 | C14 | H14 | 179.2° | 179.9° |
| C16 | C17 | C23 | F25 | 33.1° | 90.1° |
| C16 | C17 | C23 | F26 | 162.1° | 29.9° |
| C16 | C17 | C23 | F24 | 84.9° | 150.0° |
| C16 | C17 | C18 | H18 | 178.8° | 180.0° |
| C17 | C16 | C15 | H15 | 177.7° | 179.7° |
| C17 | C23 | F25 | F26 | 127.5° | 120.0° |
| C17 | C23 | F25 | F24 | 116.6° | 120.0° |
| C17 | C23 | F26 | F24 | 114.0° | 120.0° |
| C23 | C17 | C18 | H18 | 4.2° | 0.1° |
| C23 | C17 | C16 | H16 | 2.6° | 0.1° |
| F25 | C23 | F26 | F24 | 118.3° | 120.0° |
| H331 | C33 | C34 | H341 | 178.1° | 174.2° |
| H331 | C33 | C34 | H342 | 57.4° | 54.1° |
| H332 | C33 | C34 | H341 | 58.6° | 53.7° |
| H332 | C33 | C34 | H342 | 62.1° | 66.4° |
| H38 | C38 | C40 | H401 | 61.4° | 60.0° |
| H38 | C38 | C40 | H402 | 178.6° | 60.0° |
| H38 | C38 | C40 | H403 | 58.5° | 180.0° |
| H38 | C38 | C39 | H391 | 63.9° | 60.0° |
| H38 | C38 | C39 | H392 | 56.1° | 60.1° |
| H38 | C38 | C39 | H393 | 176.1° | 180.0° |
| H361 | C36 | C37 | H371 | 52.8° | 53.5° |
| H361 | C36 | C37 | H372 | 172.8° | 174.1° |
| H362 | C36 | C37 | H371 | 67.2° | 66.5° |
| H362 | C36 | C37 | H372 | 52.8° | 54.1° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
| H391 | C39 | H392 | H393 | 120.0° | 120.1° |
| H2 | C2 | C1 | H1 | 0.8° | 0.0° |
| H4 | C4 | C5 | H5 | 1.1° | 0.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 0.8° | 0.0° |
| H15 | C15 | C16 | H16 | 2.3° | 0.0° |
