E97
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C3 | sing | 1.36Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | N16 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | N18 | sing | 1.38Å | 1.34Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | N13 | sing | 1.38Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | N15 | sing | 1.36Å | 1.34Å | Aromatic |
| N13 | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| N13 | H13 | sing | 0.97Å | 1.02Å | |
| C14 | N15 | doub | 1.31Å | 1.35Å | Aromatic |
| C14 | C19 | sing | 1.48Å | 1.34Å | Aromatic |
| N16 | C17 | doub | 1.31Å | 1.36Å | Aromatic |
| C17 | N18 | sing | 1.37Å | 1.35Å | Aromatic |
| C17 | C25 | sing | 1.48Å | 1.34Å | Aromatic |
| N18 | H18 | sing | 0.97Å | 1.02Å | |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | O36 | sing | 1.36Å | 1.37Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | O31 | sing | 1.36Å | 1.37Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| O31 | C32 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C34 | N35 | sing | 1.47Å | 1.46Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| N35 | C43 | sing | 1.47Å | 1.46Å | |
| N35 | C44 | sing | 1.47Å | 1.46Å | |
| O36 | C37 | sing | 1.43Å | 1.41Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C39 | N40 | sing | 1.47Å | 1.46Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| N40 | C41 | sing | 1.47Å | 1.46Å | |
| N40 | C42 | sing | 1.47Å | 1.46Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H413 | sing | 1.09Å | 1.11Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H423 | sing | 1.09Å | 1.12Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C43 | H433 | sing | 1.09Å | 1.12Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 118.0° | 120.1° |
| C2 | C1 | H1 | 120.6° | 120.0° |
| C1 | C2 | C6 | 118.9° | 119.6° |
| C1 | C2 | N16 | 129.4° | 133.2° |
| C3 | C1 | H1 | 121.4° | 119.9° |
| C1 | C3 | C4 | 124.1° | 120.6° |
| C1 | C3 | H3 | 117.6° | 119.8° |
| C6 | C2 | N16 | 111.8° | 107.1° |
| C2 | C6 | C5 | 123.0° | 119.9° |
| C2 | C6 | N18 | 106.4° | 106.2° |
| C2 | N16 | C17 | 102.0° | 109.7° |
| C4 | C3 | H3 | 118.3° | 119.7° |
| C3 | C4 | C5 | 115.9° | 120.1° |
| C3 | C4 | C7 | 122.2° | 120.0° |
| C5 | C4 | C7 | 121.9° | 119.9° |
| C4 | C5 | C6 | 119.9° | 119.7° |
| C4 | C5 | H5 | 120.7° | 120.2° |
| C4 | C7 | C8 | 122.2° | 119.9° |
| C4 | C7 | C11 | 121.6° | 119.8° |
| C6 | C5 | H5 | 119.4° | 120.2° |
| C5 | C6 | N18 | 130.6° | 133.9° |
| C6 | N18 | C17 | 106.2° | 107.2° |
| C6 | N18 | H18 | 126.7° | 126.4° |
| C8 | C7 | C11 | 116.3° | 120.2° |
| C7 | C8 | C9 | 124.3° | 120.4° |
| C7 | C8 | H8 | 118.1° | 119.8° |
| C7 | C11 | C12 | 119.2° | 119.7° |
| C7 | C11 | H11 | 121.1° | 120.1° |
| C9 | C8 | H8 | 117.6° | 119.8° |
| C8 | C9 | C10 | 117.6° | 120.0° |
| C8 | C9 | H9 | 121.7° | 120.0° |
| C10 | C9 | H9 | 120.7° | 120.0° |
| C9 | C10 | C12 | 119.0° | 120.1° |
| C9 | C10 | N13 | 128.7° | 133.7° |
| C12 | C10 | N13 | 112.3° | 106.2° |
| C10 | C12 | C11 | 123.4° | 119.6° |
| C10 | C12 | N15 | 106.1° | 107.2° |
| C10 | N13 | C14 | 101.2° | 107.2° |
| C10 | N13 | H13 | 129.3° | 126.4° |
| C12 | C11 | H11 | 119.7° | 120.2° |
| C11 | C12 | N15 | 130.0° | 133.2° |
| C12 | N15 | C14 | 106.1° | 109.6° |
| C14 | N13 | H13 | 129.6° | 126.3° |
| N13 | C14 | N15 | 114.3° | 109.8° |
| N13 | C14 | C19 | 122.7° | 125.1° |
| N15 | C14 | C19 | 123.0° | 125.1° |
| C14 | C19 | C20 | 120.3° | 120.1° |
| C14 | C19 | C23 | 122.2° | 120.1° |
| N16 | C17 | N18 | 113.6° | 109.8° |
| N16 | C17 | C25 | 124.5° | 125.1° |
| N18 | C17 | C25 | 121.8° | 125.1° |
| C17 | N18 | H18 | 127.1° | 126.4° |
| C17 | C25 | C26 | 119.6° | 120.1° |
| C17 | C25 | C30 | 122.4° | 120.1° |
| C20 | C19 | C23 | 117.3° | 119.8° |
| C19 | C20 | C21 | 120.8° | 119.9° |
| C19 | C20 | H20 | 119.7° | 120.1° |
| C19 | C23 | C24 | 121.2° | 120.0° |
| C19 | C23 | H23 | 119.2° | 120.0° |
| C21 | C20 | H20 | 119.4° | 120.1° |
| C20 | C21 | C22 | 122.3° | 120.1° |
| C20 | C21 | H21 | 119.0° | 120.0° |
| C22 | C21 | H21 | 118.7° | 119.9° |
| C21 | C22 | C24 | 116.3° | 120.1° |
| C21 | C22 | O36 | 119.0° | 119.9° |
| C24 | C22 | O36 | 124.7° | 119.9° |
| C22 | C24 | C23 | 122.0° | 120.1° |
| C22 | C24 | H24 | 119.0° | 119.9° |
| C22 | O36 | C37 | 116.3° | 106.7° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C23 | C24 | H24 | 119.0° | 120.0° |
| C26 | C25 | C30 | 116.1° | 119.8° |
| C25 | C26 | C27 | 121.3° | 119.9° |
| C25 | C26 | H26 | 119.4° | 120.0° |
| C25 | C30 | C29 | 121.6° | 119.9° |
| C25 | C30 | H30 | 119.2° | 120.0° |
| C27 | C26 | H26 | 119.3° | 120.0° |
| C26 | C27 | C28 | 122.3° | 120.1° |
| C26 | C27 | H27 | 118.9° | 119.9° |
| C28 | C27 | H27 | 118.7° | 120.0° |
| C27 | C28 | C29 | 115.8° | 120.1° |
| C27 | C28 | O31 | 118.9° | 119.9° |
| C29 | C28 | O31 | 125.3° | 119.9° |
| C28 | C29 | C30 | 122.1° | 120.1° |
| C28 | C29 | H29 | 119.0° | 119.9° |
| C28 | O31 | C32 | 118.1° | 106.8° |
| C30 | C29 | H29 | 118.9° | 120.0° |
| C29 | C30 | H30 | 119.1° | 120.0° |
| O31 | C32 | C33 | 107.4° | 109.5° |
| O31 | C32 | H321 | 112.9° | 109.5° |
| O31 | C32 | H322 | 112.9° | 109.5° |
| C33 | C32 | H321 | 113.0° | 109.5° |
| C33 | C32 | H322 | 113.0° | 109.5° |
| C32 | C33 | C34 | 110.5° | 109.5° |
| C32 | C33 | H331 | 111.8° | 109.5° |
| C32 | C33 | H332 | 111.8° | 109.5° |
| H321 | C32 | H322 | 97.5° | 109.5° |
| C34 | C33 | H331 | 111.8° | 109.4° |
| C34 | C33 | H332 | 111.8° | 109.4° |
| C33 | C34 | N35 | 115.4° | 109.5° |
| C33 | C34 | H341 | 110.1° | 109.5° |
| C33 | C34 | H342 | 110.0° | 109.5° |
| H331 | C33 | H332 | 98.6° | 109.5° |
| N35 | C34 | H341 | 110.0° | 109.5° |
| N35 | C34 | H342 | 110.1° | 109.5° |
| C34 | N35 | C43 | 111.5° | 106.7° |
| C34 | N35 | C44 | 112.2° | 106.7° |
| H341 | C34 | H342 | 100.2° | 109.5° |
| C43 | N35 | C44 | 110.4° | 106.7° |
| N35 | C43 | H431 | 111.5° | 109.5° |
| N35 | C43 | H432 | 111.5° | 109.4° |
| N35 | C43 | H433 | 111.5° | 109.5° |
| N35 | C44 | H441 | 112.2° | 109.5° |
| N35 | C44 | H442 | 111.2° | 109.4° |
| N35 | C44 | H443 | 111.2° | 109.5° |
| O36 | C37 | C38 | 108.6° | 109.4° |
| O36 | C37 | H371 | 112.5° | 109.5° |
| O36 | C37 | H372 | 112.5° | 109.5° |
| C38 | C37 | H371 | 112.6° | 109.5° |
| C38 | C37 | H372 | 112.6° | 109.5° |
| C37 | C38 | C39 | 111.0° | 109.5° |
| C37 | C38 | H381 | 111.6° | 109.5° |
| C37 | C38 | H382 | 111.6° | 109.5° |
| H371 | C37 | H372 | 97.9° | 109.5° |
| C39 | C38 | H381 | 111.7° | 109.5° |
| C39 | C38 | H382 | 111.7° | 109.4° |
| C38 | C39 | N40 | 115.8° | 109.5° |
| C38 | C39 | H391 | 109.9° | 109.5° |
| C38 | C39 | H392 | 109.9° | 109.5° |
| H381 | C38 | H382 | 98.7° | 109.5° |
| N40 | C39 | H391 | 109.9° | 109.5° |
| N40 | C39 | H392 | 109.9° | 109.5° |
| C39 | N40 | C41 | 111.0° | 106.7° |
| C39 | N40 | C42 | 112.9° | 106.7° |
| H391 | C39 | H392 | 100.3° | 109.5° |
| C41 | N40 | C42 | 110.9° | 106.7° |
| N40 | C41 | H411 | 111.0° | 109.5° |
| N40 | C41 | H412 | 111.6° | 109.5° |
| N40 | C41 | H413 | 111.7° | 109.4° |
| N40 | C42 | H421 | 112.8° | 109.5° |
| N40 | C42 | H422 | 110.9° | 109.5° |
| N40 | C42 | H423 | 110.9° | 109.5° |
| H411 | C41 | H412 | 111.6° | 109.5° |
| H411 | C41 | H413 | 111.7° | 109.5° |
| H412 | C41 | H413 | 98.7° | 109.5° |
| H421 | C42 | H422 | 111.0° | 109.5° |
| H421 | C42 | H423 | 111.0° | 109.5° |
| H422 | C42 | H423 | 99.4° | 109.4° |
| H431 | C43 | H432 | 111.4° | 109.5° |
| H431 | C43 | H433 | 111.4° | 109.5° |
| H432 | C43 | H433 | 98.9° | 109.4° |
| H441 | C44 | H442 | 111.2° | 109.4° |
| H441 | C44 | H443 | 111.2° | 109.4° |
| H442 | C44 | H443 | 99.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C6 | N16 | 178.7° | 180.0° |
| C2 | C1 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C3 | H3 | 179.7° | 180.0° |
| C1 | C2 | C6 | C5 | 3.5° | 0.3° |
| C1 | C2 | C6 | N18 | 177.6° | 180.0° |
| C1 | C2 | N16 | C17 | 179.6° | 180.0° |
| C3 | C1 | C2 | C6 | 1.4° | 0.0° |
| C3 | C1 | C2 | N16 | 179.8° | 179.9° |
| C1 | C3 | C4 | H3 | 180.0° | 180.0° |
| C1 | C3 | C4 | C5 | 1.1° | 0.3° |
| C1 | C3 | C4 | C7 | 178.7° | 180.0° |
| H1 | C1 | C2 | C6 | 178.6° | 180.0° |
| H1 | C1 | C2 | N16 | 0.2° | 0.0° |
| H1 | C1 | C3 | C4 | 179.7° | 179.9° |
| H1 | C1 | C3 | H3 | 0.3° | 0.0° |
| C2 | C6 | C5 | C4 | 4.4° | 0.6° |
| C2 | C6 | C5 | N18 | 178.7° | 179.7° |
| C2 | C6 | C5 | H5 | 175.6° | 179.8° |
| C6 | C2 | N16 | C17 | 1.1° | 0.0° |
| C2 | C6 | N18 | C17 | 2.8° | 0.1° |
| C2 | C6 | N18 | H18 | 177.2° | 180.0° |
| N16 | C2 | C6 | C5 | 177.8° | 179.7° |
| N16 | C2 | C6 | N18 | 1.1° | 0.0° |
| C2 | N16 | C17 | N18 | 3.0° | 0.1° |
| C2 | N16 | C17 | C25 | 179.9° | 180.0° |
| C3 | C4 | C5 | C7 | 177.6° | 179.6° |
| C3 | C4 | C5 | C6 | 3.0° | 0.6° |
| C3 | C4 | C5 | H5 | 177.0° | 179.7° |
| C3 | C4 | C7 | C8 | 23.0° | 140.3° |
| C3 | C4 | C7 | C11 | 155.5° | 39.7° |
| H3 | C3 | C4 | C5 | 178.9° | 179.7° |
| H3 | C3 | C4 | C7 | 1.2° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | N18 | 177.0° | 179.7° |
| C5 | C4 | C7 | C8 | 154.5° | 40.1° |
| C5 | C4 | C7 | C11 | 27.0° | 139.9° |
| C7 | C4 | C5 | C6 | 179.4° | 179.7° |
| C7 | C4 | C5 | H5 | 0.7° | 0.1° |
| C4 | C7 | C8 | C11 | 178.6° | 180.0° |
| C4 | C7 | C8 | C9 | 179.5° | 180.0° |
| C4 | C7 | C8 | H8 | 0.5° | 0.1° |
| C4 | C7 | C11 | C12 | 176.7° | 179.9° |
| C4 | C7 | C11 | H11 | 3.3° | 0.0° |
| C5 | C6 | N18 | C17 | 176.0° | 179.6° |
| C5 | C6 | N18 | H18 | 4.0° | 0.2° |
| H5 | C5 | C6 | N18 | 3.1° | 0.1° |
| C6 | N18 | C17 | N16 | 3.8° | 0.1° |
| C6 | N18 | C17 | H18 | 180.0° | 179.9° |
| C6 | N18 | C17 | C25 | 179.0° | 180.0° |
| C7 | C8 | C9 | H8 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 1.8° | 0.0° |
| C7 | C8 | C9 | H9 | 178.2° | 180.0° |
| C8 | C7 | C11 | C12 | 4.6° | 0.1° |
| C8 | C7 | C11 | H11 | 175.4° | 180.0° |
| C11 | C7 | C8 | C9 | 0.9° | 0.0° |
| C11 | C7 | C8 | H8 | 179.1° | 180.0° |
| C7 | C11 | C12 | C10 | 6.0° | 0.1° |
| C7 | C11 | C12 | H11 | 180.0° | 179.9° |
| C7 | C11 | C12 | N15 | 177.2° | 179.6° |
| C8 | C9 | C10 | H9 | 179.9° | 180.0° |
| C8 | C9 | C10 | C12 | 0.8° | 0.0° |
| C8 | C9 | C10 | N13 | 179.0° | 180.0° |
| H8 | C8 | C9 | C10 | 178.1° | 180.0° |
| H8 | C8 | C9 | H9 | 1.8° | 0.0° |
| C9 | C10 | C12 | N13 | 178.5° | 180.0° |
| C9 | C10 | C12 | C11 | 3.1° | 0.0° |
| C9 | C10 | C12 | N15 | 176.2° | 179.7° |
| C9 | C10 | N13 | C14 | 177.6° | 180.0° |
| C9 | C10 | N13 | H13 | 2.5° | 0.0° |
| H9 | C9 | C10 | C12 | 179.3° | 180.0° |
| H9 | C9 | C10 | N13 | 1.0° | 0.0° |
| C10 | C12 | C11 | N15 | 171.2° | 179.7° |
| C10 | C12 | C11 | H11 | 174.0° | 180.0° |
| C12 | C10 | N13 | C14 | 0.8° | 0.1° |
| C12 | C10 | N13 | H13 | 179.2° | 180.0° |
| C10 | C12 | N15 | C14 | 2.9° | 0.4° |
| N13 | C10 | C12 | C11 | 175.4° | 180.0° |
| N13 | C10 | C12 | N15 | 2.3° | 0.3° |
| C10 | N13 | C14 | H13 | 180.0° | 180.0° |
| C10 | N13 | C14 | N15 | 1.2° | 0.2° |
| C10 | N13 | C14 | C19 | 179.2° | 180.0° |
| C11 | C12 | N15 | C14 | 175.3° | 179.9° |
| H11 | C11 | C12 | N15 | 2.8° | 0.3° |
| C12 | N15 | C14 | N13 | 2.6° | 0.4° |
| C12 | N15 | C14 | C19 | 177.7° | 179.8° |
| N13 | C14 | N15 | C19 | 179.6° | 179.8° |
| N13 | C14 | C19 | C20 | 9.1° | 140.2° |
| N13 | C14 | C19 | C23 | 167.1° | 39.8° |
| H13 | N13 | C14 | N15 | 178.9° | 179.8° |
| H13 | N13 | C14 | C19 | 0.8° | 0.0° |
| N15 | C14 | C19 | C20 | 171.3° | 40.0° |
| N15 | C14 | C19 | C23 | 12.5° | 140.0° |
| C14 | C19 | C20 | C23 | 176.4° | 180.0° |
| C14 | C19 | C20 | C21 | 179.4° | 179.9° |
| C14 | C19 | C20 | H20 | 0.7° | 0.0° |
| C14 | C19 | C23 | C24 | 178.0° | 179.8° |
| C14 | C19 | C23 | H23 | 2.0° | 0.0° |
| N16 | C17 | N18 | C25 | 177.2° | 179.9° |
| N16 | C17 | N18 | H18 | 176.2° | 180.0° |
| N16 | C17 | C25 | C26 | 164.0° | 40.0° |
| N16 | C17 | C25 | C30 | 0.1° | 140.2° |
| N18 | C17 | C25 | C26 | 19.1° | 140.1° |
| N18 | C17 | C25 | C30 | 177.0° | 39.7° |
| C25 | C17 | N18 | H18 | 0.9° | 0.1° |
| C17 | C25 | C26 | C30 | 164.9° | 179.8° |
| C17 | C25 | C26 | C27 | 174.1° | 180.0° |
| C17 | C25 | C26 | H26 | 5.9° | 0.0° |
| C17 | C25 | C30 | C29 | 174.8° | 179.7° |
| C17 | C25 | C30 | H30 | 5.1° | 0.3° |
| C19 | C20 | C21 | H20 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 2.2° | 0.1° |
| C19 | C20 | C21 | H21 | 177.8° | 180.0° |
| C20 | C19 | C23 | C24 | 1.7° | 0.2° |
| C20 | C19 | C23 | H23 | 178.3° | 180.0° |
| C23 | C19 | C20 | C21 | 3.0° | 0.1° |
| C23 | C19 | C20 | H20 | 177.1° | 180.0° |
| C19 | C23 | C24 | C22 | 0.5° | 0.5° |
| C19 | C23 | C24 | H23 | 180.0° | 179.7° |
| C19 | C23 | C24 | H24 | 179.6° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C24 | 0.0° | 0.2° |
| C20 | C21 | C22 | O36 | 179.3° | 180.0° |
| H20 | C20 | C21 | C22 | 177.8° | 180.0° |
| H20 | C20 | C21 | H21 | 2.2° | 0.0° |
| C21 | C22 | C24 | O36 | 179.3° | 179.7° |
| C21 | C22 | C24 | C23 | 1.3° | 0.5° |
| C21 | C22 | C24 | H24 | 178.7° | 180.0° |
| C21 | C22 | O36 | C37 | 153.0° | 180.0° |
| H21 | C21 | C22 | C24 | 180.0° | 179.7° |
| H21 | C21 | C22 | O36 | 0.7° | 0.0° |
| C22 | C24 | C23 | H24 | 180.0° | 179.5° |
| C22 | C24 | C23 | H23 | 179.5° | 179.7° |
| C24 | C22 | O36 | C37 | 26.3° | 0.3° |
| O36 | C22 | C24 | C23 | 179.4° | 179.8° |
| O36 | C22 | C24 | H24 | 0.6° | 0.2° |
| C22 | O36 | C37 | C38 | 73.8° | 180.0° |
| C22 | O36 | C37 | H371 | 160.9° | 60.0° |
| C22 | O36 | C37 | H372 | 51.5° | 60.0° |
| H23 | C23 | C24 | H24 | 0.5° | 0.2° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 4.6° | 0.0° |
| C25 | C26 | C27 | H27 | 175.5° | 180.0° |
| C26 | C25 | C30 | C29 | 10.4° | 0.6° |
| C26 | C25 | C30 | H30 | 169.6° | 179.9° |
| C30 | C25 | C26 | C27 | 9.2° | 0.2° |
| C30 | C25 | C26 | H26 | 170.8° | 179.8° |
| C25 | C30 | C29 | C28 | 7.0° | 0.6° |
| C25 | C30 | C29 | H30 | 180.0° | 179.4° |
| C25 | C30 | C29 | H29 | 173.0° | 179.8° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.0° |
| C26 | C27 | C28 | O31 | 179.7° | 180.0° |
| H26 | C26 | C27 | C28 | 175.4° | 179.9° |
| H26 | C26 | C27 | H27 | 4.6° | 0.1° |
| C27 | C28 | C29 | O31 | 179.7° | 180.0° |
| C27 | C28 | C29 | C30 | 1.8° | 0.3° |
| C27 | C28 | C29 | H29 | 178.2° | 179.9° |
| C27 | C28 | O31 | C32 | 149.3° | 180.0° |
| H27 | C27 | C28 | C29 | 179.4° | 180.0° |
| H27 | C27 | C28 | O31 | 0.2° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.6° |
| C28 | C29 | C30 | H30 | 173.0° | 180.0° |
| C29 | C28 | O31 | C32 | 30.4° | 0.0° |
| O31 | C28 | C29 | C30 | 178.6° | 179.7° |
| O31 | C28 | C29 | H29 | 1.4° | 0.0° |
| C28 | O31 | C32 | C33 | 178.2° | 180.0° |
| C28 | O31 | C32 | H321 | 52.9° | 60.0° |
| C28 | O31 | C32 | H322 | 56.5° | 60.0° |
| H29 | C29 | C30 | H30 | 7.0° | 0.4° |
| O31 | C32 | C33 | H321 | 125.2° | 120.0° |
| O31 | C32 | C33 | H322 | 125.2° | 120.0° |
| O31 | C32 | H321 | H322 | 118.8° | 120.0° |
| O31 | C32 | C33 | C34 | 12.0° | 180.0° |
| O31 | C32 | C33 | H331 | 113.2° | 60.0° |
| O31 | C32 | C33 | H332 | 137.3° | 60.0° |
| C33 | C32 | H321 | H322 | 119.0° | 120.0° |
| C32 | C33 | C34 | H331 | 125.2° | 120.0° |
| C32 | C33 | C34 | H332 | 125.2° | 120.0° |
| C32 | C33 | H331 | H332 | 117.7° | 120.0° |
| C32 | C33 | C34 | N35 | 99.0° | 180.0° |
| C32 | C33 | C34 | H341 | 135.8° | 60.0° |
| C32 | C33 | C34 | H342 | 26.3° | 60.0° |
| H321 | C32 | C33 | C34 | 137.3° | 60.0° |
| H321 | C32 | C33 | H331 | 12.0° | 180.0° |
| H321 | C32 | C33 | H332 | 97.5° | 60.0° |
| H322 | C32 | C33 | C34 | 113.2° | 60.0° |
| H322 | C32 | C33 | H331 | 121.6° | 60.0° |
| H322 | C32 | C33 | H332 | 12.1° | 180.0° |
| C34 | C33 | H331 | H332 | 117.8° | 119.9° |
| C33 | C34 | N35 | H341 | 125.3° | 120.0° |
| C33 | C34 | N35 | H342 | 125.3° | 120.0° |
| C33 | C34 | H341 | H342 | 115.9° | 120.0° |
| C33 | C34 | N35 | C43 | 87.9° | 180.0° |
| C33 | C34 | N35 | C44 | 147.7° | 66.2° |
| H331 | C33 | C34 | N35 | 26.2° | 60.0° |
| H331 | C33 | C34 | H341 | 99.0° | 180.0° |
| H331 | C33 | C34 | H342 | 151.5° | 60.1° |
| H332 | C33 | C34 | N35 | 135.8° | 60.0° |
| H332 | C33 | C34 | H341 | 10.5° | 60.0° |
| H332 | C33 | C34 | H342 | 98.9° | 180.0° |
| N35 | C34 | H341 | H342 | 115.9° | 120.0° |
| C34 | N35 | C43 | C44 | 125.5° | 113.8° |
| C34 | N35 | C43 | H431 | 180.0° | 180.0° |
| C34 | N35 | C43 | H432 | 54.7° | 60.0° |
| C34 | N35 | C43 | H433 | 54.7° | 60.0° |
| C34 | N35 | C44 | H441 | 180.0° | 180.0° |
| C34 | N35 | C44 | H442 | 54.7° | 60.0° |
| C34 | N35 | C44 | H443 | 54.8° | 60.0° |
| H341 | C34 | N35 | C43 | 146.8° | 60.0° |
| H341 | C34 | N35 | C44 | 22.4° | 173.8° |
| H342 | C34 | N35 | C43 | 37.4° | 60.0° |
| H342 | C34 | N35 | C44 | 87.1° | 53.8° |
| N35 | C43 | H431 | H432 | 125.3° | 120.0° |
| N35 | C43 | H431 | H433 | 125.3° | 120.0° |
| N35 | C43 | H432 | H433 | 117.4° | 120.0° |
| C43 | N35 | C44 | H441 | 54.9° | 66.2° |
| C43 | N35 | C44 | H442 | 179.8° | 53.8° |
| C43 | N35 | C44 | H443 | 70.3° | 173.8° |
| C44 | N35 | C43 | H431 | 54.5° | 66.2° |
| C44 | N35 | C43 | H432 | 70.7° | 173.8° |
| C44 | N35 | C43 | H433 | 179.8° | 53.8° |
| N35 | C44 | H441 | H442 | 125.3° | 120.0° |
| N35 | C44 | H441 | H443 | 125.2° | 120.0° |
| N35 | C44 | H442 | H443 | 117.1° | 120.1° |
| O36 | C37 | C38 | H371 | 125.2° | 120.0° |
| O36 | C37 | C38 | H372 | 125.2° | 120.0° |
| O36 | C37 | H371 | H372 | 118.4° | 120.1° |
| O36 | C37 | C38 | C39 | 164.5° | 180.0° |
| O36 | C37 | C38 | H381 | 39.2° | 60.0° |
| O36 | C37 | C38 | H382 | 70.2° | 60.0° |
| C38 | C37 | H371 | H372 | 118.5° | 120.0° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 120.0° |
| C37 | C38 | H381 | H382 | 117.5° | 120.0° |
| C37 | C38 | C39 | N40 | 75.3° | 180.0° |
| C37 | C38 | C39 | H391 | 50.0° | 60.0° |
| C37 | C38 | C39 | H392 | 159.5° | 60.0° |
| H371 | C37 | C38 | C39 | 70.2° | 60.0° |
| H371 | C37 | C38 | H381 | 164.5° | 180.0° |
| H371 | C37 | C38 | H382 | 55.1° | 60.0° |
| H372 | C37 | C38 | C39 | 39.3° | 60.0° |
| H372 | C37 | C38 | H381 | 86.0° | 60.0° |
| H372 | C37 | C38 | H382 | 164.6° | 180.0° |
| C39 | C38 | H381 | H382 | 117.6° | 120.0° |
| C38 | C39 | N40 | H391 | 125.2° | 120.0° |
| C38 | C39 | N40 | H392 | 125.2° | 120.0° |
| C38 | C39 | H391 | H392 | 115.7° | 120.0° |
| C38 | C39 | N40 | C41 | 108.5° | 180.0° |
| C38 | C39 | N40 | C42 | 126.4° | 66.2° |
| H381 | C38 | C39 | N40 | 159.5° | 60.0° |
| H381 | C38 | C39 | H391 | 75.3° | 180.0° |
| H381 | C38 | C39 | H392 | 34.2° | 60.0° |
| H382 | C38 | C39 | N40 | 50.0° | 60.0° |
| H382 | C38 | C39 | H391 | 175.3° | 60.0° |
| H382 | C38 | C39 | H392 | 75.3° | 180.0° |
| N40 | C39 | H391 | H392 | 115.8° | 119.9° |
| C39 | N40 | C41 | C42 | 126.3° | 113.8° |
| C39 | N40 | C41 | H411 | 180.0° | 180.0° |
| C39 | N40 | C41 | H412 | 54.8° | 60.0° |
| C39 | N40 | C41 | H413 | 54.7° | 60.0° |
| C39 | N40 | C42 | H421 | 180.0° | 66.2° |
| C39 | N40 | C42 | H422 | 54.7° | 173.8° |
| C39 | N40 | C42 | H423 | 54.8° | 53.8° |
| H391 | C39 | N40 | C41 | 16.8° | 60.0° |
| H391 | C39 | N40 | C42 | 108.4° | 53.8° |
| H392 | C39 | N40 | C41 | 126.3° | 60.0° |
| H392 | C39 | N40 | C42 | 1.1° | 173.7° |
| N40 | C41 | H411 | H412 | 125.2° | 120.0° |
| N40 | C41 | H411 | H413 | 125.3° | 120.0° |
| N40 | C41 | H412 | H413 | 117.6° | 120.0° |
| C41 | N40 | C42 | H421 | 54.8° | 180.0° |
| C41 | N40 | C42 | H422 | 70.5° | 60.0° |
| C41 | N40 | C42 | H423 | 180.0° | 60.0° |
| C42 | N40 | C41 | H411 | 53.8° | 66.2° |
| C42 | N40 | C41 | H412 | 179.0° | 173.8° |
| C42 | N40 | C41 | H413 | 71.6° | 53.8° |
| N40 | C42 | H421 | H422 | 125.2° | 120.0° |
| N40 | C42 | H421 | H423 | 125.2° | 120.0° |
| N40 | C42 | H422 | H423 | 116.8° | 120.0° |
| H411 | C41 | H412 | H413 | 117.6° | 120.1° |
| H421 | C42 | H422 | H423 | 116.9° | 120.1° |
| H431 | C43 | H432 | H433 | 117.3° | 120.0° |
| H441 | C44 | H442 | H443 | 117.1° | 119.9° |
