CM2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE | O2 | sing | 1.78Å | 1.97Å | |
| FE | O36 | sing | 1.79Å | 2.01Å | |
| FE | O44 | sing | 1.82Å | 2.04Å | |
| FE | O46 | sing | 1.82Å | 2.07Å | |
| O2 | C3 | sing | 1.35Å | 1.29Å | |
| C3 | C4 | doub | 1.38Å | 1.45Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.50Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.48Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.39Å | 1.47Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.37Å | 1.44Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C10 | sing | 1.50Å | 1.43Å | |
| C10 | N11 | sing | 1.51Å | 1.30Å | |
| C10 | O14 | sing | 1.45Å | 1.40Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| N11 | C12 | sing | 1.51Å | 1.53Å | |
| N11 | H11 | sing | 1.04Å | 1.02Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C12 | C15 | sing | 1.50Å | 1.43Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | O14 | sing | 1.45Å | 1.56Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C15 | O16 | doub | 1.21Å | 1.29Å | |
| C15 | N17 | sing | 1.34Å | 1.38Å | |
| N17 | C18 | sing | 1.46Å | 1.45Å | |
| N17 | H17 | sing | 0.98Å | 1.02Å | |
| C18 | C19 | sing | 1.51Å | 1.46Å | |
| C18 | C39 | sing | 1.52Å | 1.61Å | |
| C18 | H18 | sing | 1.10Å | 1.11Å | |
| C19 | O20 | doub | 1.21Å | 1.25Å | |
| C19 | O21 | sing | 1.34Å | 1.39Å | |
| O21 | C22 | sing | 1.45Å | 1.50Å | |
| C22 | C25 | sing | 1.53Å | 1.48Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C25 | C27 | sing | 1.50Å | 1.44Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C27 | O28 | doub | 1.21Å | 1.24Å | |
| C27 | N29 | sing | 1.35Å | 1.45Å | |
| N29 | C30 | sing | 1.45Å | 1.48Å | |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| C30 | C31 | sing | 1.54Å | 1.54Å | |
| C30 | C37 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | sing | 1.10Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.57Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | sing | 1.51Å | 1.67Å | |
| C32 | H321 | sing | 1.10Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | N35 | sing | 1.48Å | 1.53Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.08Å | 1.12Å | |
| N35 | O36 | sing | 1.42Å | 1.34Å | |
| N35 | C37 | sing | 1.32Å | 1.29Å | |
| C37 | O38 | doub | 1.22Å | 1.32Å | |
| C39 | C40 | sing | 1.52Å | 1.56Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C40 | C41 | sing | 1.53Å | 1.59Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C41 | C42 | sing | 1.53Å | 1.57Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C42 | N43 | sing | 1.48Å | 1.49Å | |
| C42 | H421 | sing | 1.08Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| N43 | O44 | sing | 1.49Å | 1.39Å | |
| N43 | C45 | sing | 1.46Å | 1.37Å | |
| C45 | O46 | sing | 1.44Å | 1.29Å | |
| C45 | C47 | sing | 1.50Å | 1.56Å | |
| C45 | H45 | sing | 1.08Å | 1.11Å | |
| C47 | C48 | doub | 1.31Å | 1.32Å | |
| C47 | H47 | sing | 1.08Å | 1.10Å | |
| C48 | C49 | sing | 1.51Å | 1.57Å | |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.70Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C50 | H501 | sing | 1.09Å | 1.12Å | |
| C50 | H502 | sing | 1.09Å | 1.11Å | |
| C51 | C52 | sing | 1.53Å | 1.28Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C52 | C53 | sing | 1.53Å | 1.47Å | |
| C52 | H521 | sing | 1.09Å | 1.12Å | |
| C52 | H522 | sing | 1.09Å | 1.12Å | |
| C53 | C54 | sing | 1.53Å | 1.55Å | |
| C53 | H531 | sing | 1.09Å | 1.11Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C54 | C55 | sing | 1.51Å | 1.52Å | |
| C54 | H541 | sing | 1.09Å | 1.12Å | |
| C54 | H542 | sing | 1.09Å | 1.12Å | |
| C55 | O56 | doub | 1.21Å | 1.20Å | |
| C55 | O57 | sing | 1.34Å | 1.28Å | |
| O57 | H57 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | FE | O36 | 91.6° | 173.5° |
| O2 | FE | O44 | 101.1° | 92.9° |
| O2 | FE | O46 | 99.3° | 96.0° |
| FE | O2 | C3 | 134.2° | 111.1° |
| O36 | FE | O44 | 161.9° | 88.1° |
| O36 | FE | O46 | 86.6° | 90.2° |
| FE | O36 | N35 | 109.6° | 106.5° |
| O44 | FE | O46 | 78.6° | 97.6° |
| FE | O44 | N43 | 113.5° | 101.2° |
| FE | O46 | C45 | 113.4° | 100.4° |
| O2 | C3 | C4 | 116.5° | 123.6° |
| O2 | C3 | C8 | 123.7° | 116.9° |
| C4 | C3 | C8 | 119.8° | 119.6° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C3 | C4 | H4 | 121.5° | 120.6° |
| C3 | C8 | C7 | 120.9° | 120.3° |
| C3 | C8 | C10 | 115.5° | 117.2° |
| C5 | C4 | H4 | 118.3° | 119.5° |
| C4 | C5 | C6 | 120.5° | 120.4° |
| C4 | C5 | H5 | 117.1° | 119.7° |
| C6 | C5 | H5 | 122.4° | 119.9° |
| C5 | C6 | C7 | 121.6° | 119.9° |
| C5 | C6 | H6 | 119.5° | 120.2° |
| C7 | C6 | H6 | 118.9° | 119.9° |
| C6 | C7 | C8 | 117.1° | 120.0° |
| C6 | C7 | H7 | 122.4° | 119.6° |
| C8 | C7 | H7 | 120.5° | 120.4° |
| C7 | C8 | C10 | 123.6° | 122.6° |
| C8 | C10 | N11 | 136.5° | 109.1° |
| C8 | C10 | O14 | 110.1° | 114.0° |
| C8 | C10 | H10 | 74.5° | 110.9° |
| N11 | C10 | O14 | 113.4° | 102.8° |
| N11 | C10 | H10 | 62.1° | 109.9° |
| C10 | N11 | C12 | 113.0° | 101.1° |
| C10 | N11 | H11 | 110.9° | 101.9° |
| O14 | C10 | H10 | 175.0° | 109.7° |
| C10 | O14 | C13 | 107.2° | 102.0° |
| C12 | N11 | H11 | 110.9° | 102.0° |
| N11 | C12 | C13 | 102.0° | 104.4° |
| N11 | C12 | C15 | 115.5° | 108.1° |
| N11 | C12 | H12 | 109.7° | 109.3° |
| C13 | C12 | C15 | 106.4° | 112.7° |
| C13 | C12 | H12 | 118.3° | 110.9° |
| C12 | C13 | O14 | 104.5° | 105.7° |
| C12 | C13 | H131 | 114.1° | 110.7° |
| C12 | C13 | H132 | 114.1° | 110.6° |
| C15 | C12 | H12 | 105.5° | 111.1° |
| C12 | C15 | O16 | 117.1° | 118.0° |
| C12 | C15 | N17 | 125.0° | 122.4° |
| O14 | C13 | H131 | 114.1° | 109.6° |
| O14 | C13 | H132 | 114.1° | 109.8° |
| H131 | C13 | H132 | 96.4° | 110.4° |
| O16 | C15 | N17 | 117.9° | 119.6° |
| C15 | N17 | C18 | 125.8° | 121.7° |
| C15 | N17 | H17 | 114.2° | 119.0° |
| C18 | N17 | H17 | 120.0° | 119.4° |
| N17 | C18 | C19 | 114.6° | 111.5° |
| N17 | C18 | C39 | 109.2° | 111.9° |
| N17 | C18 | H18 | 107.2° | 107.9° |
| C19 | C18 | C39 | 112.4° | 109.7° |
| C19 | C18 | H18 | 103.6° | 107.5° |
| C18 | C19 | O20 | 124.5° | 120.6° |
| C18 | C19 | O21 | 120.5° | 119.1° |
| C39 | C18 | H18 | 109.6° | 108.2° |
| C18 | C39 | C40 | 115.2° | 112.3° |
| C18 | C39 | H391 | 110.1° | 108.8° |
| C18 | C39 | H392 | 110.1° | 109.4° |
| O20 | C19 | O21 | 115.0° | 120.3° |
| C19 | O21 | C22 | 121.5° | 120.9° |
| O21 | C22 | C25 | 105.5° | 109.4° |
| O21 | C22 | H221 | 113.7° | 110.0° |
| O21 | C22 | H222 | 113.7° | 109.0° |
| C25 | C22 | H221 | 113.7° | 110.2° |
| C25 | C22 | H222 | 113.7° | 109.0° |
| C22 | C25 | C27 | 116.4° | 110.5° |
| C22 | C25 | H251 | 109.7° | 109.4° |
| C22 | C25 | H252 | 109.7° | 109.2° |
| H221 | C22 | H222 | 96.8° | 109.3° |
| C27 | C25 | H251 | 109.7° | 109.5° |
| C27 | C25 | H252 | 109.7° | 109.3° |
| C25 | C27 | O28 | 129.0° | 120.6° |
| C25 | C27 | N29 | 114.5° | 119.7° |
| H251 | C25 | H252 | 100.5° | 109.0° |
| O28 | C27 | N29 | 116.4° | 119.7° |
| C27 | N29 | C30 | 121.5° | 120.6° |
| C27 | N29 | H29 | 118.4° | 118.2° |
| C30 | N29 | H29 | 120.1° | 121.2° |
| N29 | C30 | C31 | 109.8° | 111.4° |
| N29 | C30 | C37 | 107.3° | 112.8° |
| N29 | C30 | H30 | 109.4° | 109.2° |
| C31 | C30 | C37 | 105.3° | 107.2° |
| C31 | C30 | H30 | 111.3° | 107.9° |
| C30 | C31 | C32 | 115.0° | 111.7° |
| C30 | C31 | H311 | 110.2° | 108.7° |
| C30 | C31 | H312 | 110.2° | 108.8° |
| C37 | C30 | H30 | 113.6° | 108.1° |
| C30 | C37 | N35 | 120.1° | 121.8° |
| C30 | C37 | O38 | 122.6° | 118.7° |
| C32 | C31 | H311 | 110.2° | 109.0° |
| C32 | C31 | H312 | 110.2° | 109.4° |
| C31 | C32 | C33 | 113.5° | 118.4° |
| C31 | C32 | H321 | 110.7° | 107.2° |
| C31 | C32 | H322 | 110.7° | 108.4° |
| H311 | C31 | H312 | 100.0° | 109.2° |
| C33 | C32 | H321 | 110.7° | 107.5° |
| C33 | C32 | H322 | 110.7° | 108.4° |
| C32 | C33 | C34 | 113.1° | 111.9° |
| C32 | C33 | H331 | 110.8° | 109.1° |
| C32 | C33 | H332 | 110.9° | 109.3° |
| H321 | C32 | H322 | 99.6° | 106.3° |
| C34 | C33 | H331 | 110.9° | 108.8° |
| C34 | C33 | H332 | 110.9° | 108.8° |
| C33 | C34 | N35 | 109.1° | 107.9° |
| C33 | C34 | H341 | 112.4° | 109.0° |
| C33 | C34 | H342 | 112.3° | 111.0° |
| H331 | C33 | H332 | 99.4° | 108.9° |
| N35 | C34 | H341 | 112.3° | 108.8° |
| N35 | C34 | H342 | 112.3° | 110.6° |
| C34 | N35 | O36 | 115.7° | 118.2° |
| C34 | N35 | C37 | 120.9° | 122.1° |
| H341 | C34 | H342 | 98.1° | 109.5° |
| O36 | N35 | C37 | 123.3° | 119.8° |
| N35 | C37 | O38 | 117.3° | 119.5° |
| C40 | C39 | H391 | 110.1° | 108.8° |
| C40 | C39 | H392 | 110.1° | 109.1° |
| C39 | C40 | C41 | 108.7° | 111.1° |
| C39 | C40 | H401 | 112.5° | 110.2° |
| C39 | C40 | H402 | 112.5° | 108.9° |
| H391 | C39 | H392 | 100.1° | 108.3° |
| C41 | C40 | H401 | 112.5° | 109.5° |
| C41 | C40 | H402 | 112.5° | 108.7° |
| C40 | C41 | C42 | 110.3° | 108.7° |
| C40 | C41 | H411 | 111.9° | 109.7° |
| C40 | C41 | H412 | 111.9° | 109.9° |
| H401 | C40 | H402 | 98.0° | 108.5° |
| C42 | C41 | H411 | 111.9° | 109.6° |
| C42 | C41 | H412 | 111.9° | 109.4° |
| C41 | C42 | N43 | 112.2° | 109.7° |
| C41 | C42 | H421 | 111.2° | 109.3° |
| C41 | C42 | H422 | 111.2° | 108.9° |
| H411 | C41 | H412 | 98.5° | 109.6° |
| N43 | C42 | H421 | 111.2° | 108.9° |
| N43 | C42 | H422 | 111.2° | 109.0° |
| C42 | N43 | O44 | 113.7° | 103.6° |
| C42 | N43 | C45 | 131.7° | 105.6° |
| H421 | C42 | H422 | 99.1° | 110.9° |
| O44 | N43 | C45 | 114.6° | 114.1° |
| N43 | C45 | O46 | 119.9° | 117.2° |
| N43 | C45 | C47 | 118.3° | 107.3° |
| N43 | C45 | H45 | 153.3° | 107.8° |
| O46 | C45 | C47 | 121.8° | 108.0° |
| O46 | C45 | H45 | 33.9° | 108.1° |
| C47 | C45 | H45 | 88.1° | 108.2° |
| C45 | C47 | C48 | 125.4° | 120.0° |
| C45 | C47 | H47 | 126.8° | 120.0° |
| C48 | C47 | H47 | 107.9° | 120.0° |
| C47 | C48 | C49 | 141.0° | 120.0° |
| C47 | C48 | H48 | 95.3° | 120.0° |
| C49 | C48 | H48 | 123.7° | 120.0° |
| C48 | C49 | C50 | 108.7° | 109.4° |
| C48 | C49 | H491 | 112.5° | 109.5° |
| C48 | C49 | H492 | 112.5° | 109.5° |
| C50 | C49 | H491 | 112.5° | 109.5° |
| C50 | C49 | H492 | 112.5° | 109.4° |
| C49 | C50 | C51 | 114.5° | 109.5° |
| C49 | C50 | H501 | 110.4° | 109.5° |
| C49 | C50 | H502 | 110.3° | 109.5° |
| H491 | C49 | H492 | 97.9° | 109.5° |
| C51 | C50 | H501 | 110.3° | 109.4° |
| C51 | C50 | H502 | 110.4° | 109.5° |
| C50 | C51 | C52 | 129.7° | 109.5° |
| C50 | C51 | H511 | 105.2° | 109.5° |
| C50 | C51 | H512 | 105.2° | 109.5° |
| H501 | C50 | H502 | 99.9° | 109.5° |
| C52 | C51 | H511 | 105.2° | 109.5° |
| C52 | C51 | H512 | 105.2° | 109.5° |
| C51 | C52 | C53 | 144.6° | 109.5° |
| C51 | C52 | H521 | 100.4° | 109.5° |
| C51 | C52 | H522 | 100.4° | 109.5° |
| H511 | C51 | H512 | 104.0° | 109.4° |
| C53 | C52 | H521 | 100.5° | 109.5° |
| C53 | C52 | H522 | 100.5° | 109.5° |
| C52 | C53 | C54 | 159.8° | 109.5° |
| C52 | C53 | H531 | 95.9° | 109.4° |
| C52 | C53 | H532 | 95.9° | 109.5° |
| H521 | C52 | H522 | 106.8° | 109.4° |
| C54 | C53 | H531 | 95.9° | 109.5° |
| C54 | C53 | H532 | 95.9° | 109.5° |
| C53 | C54 | C55 | 140.1° | 109.4° |
| C53 | C54 | H541 | 101.8° | 109.5° |
| C53 | C54 | H542 | 101.8° | 109.5° |
| H531 | C53 | H532 | 108.6° | 109.5° |
| C55 | C54 | H541 | 101.8° | 109.5° |
| C55 | C54 | H542 | 101.9° | 109.5° |
| C54 | C55 | O56 | 122.4° | 120.0° |
| C54 | C55 | O57 | 114.7° | 120.0° |
| H541 | C54 | H542 | 106.1° | 109.4° |
| O56 | C55 | O57 | 122.9° | 120.0° |
| C55 | O57 | H57 | 114.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | FE | O36 | O44 | 134.7° | 98.7° |
| O2 | FE | O36 | O46 | 99.2° | 163.7° |
| O2 | FE | O44 | O46 | 97.4° | 96.5° |
| FE | O2 | C3 | C4 | 160.1° | 27.7° |
| FE | O2 | C3 | C8 | 20.0° | 151.8° |
| O2 | FE | O36 | N35 | 179.4° | 72.0° |
| O2 | FE | O44 | N43 | 98.3° | 71.8° |
| O2 | FE | O46 | C45 | 100.4° | 65.0° |
| O36 | FE | O44 | O46 | 36.2° | 90.0° |
| O36 | FE | O2 | C3 | 125.3° | 121.4° |
| FE | O36 | N35 | C34 | 173.8° | 107.6° |
| FE | O36 | N35 | C37 | 2.5° | 72.1° |
| O36 | FE | O44 | N43 | 35.3° | 114.6° |
| O36 | FE | O46 | C45 | 168.5° | 116.8° |
| O44 | FE | O2 | C3 | 67.8° | 140.1° |
| O44 | FE | O36 | N35 | 44.7° | 26.7° |
| FE | O44 | N43 | C42 | 179.0° | 100.8° |
| FE | O44 | N43 | C45 | 0.8° | 13.5° |
| O44 | FE | O46 | C45 | 0.9° | 28.7° |
| O46 | FE | O2 | C3 | 147.9° | 42.2° |
| O46 | FE | O36 | N35 | 80.2° | 124.3° |
| O46 | FE | O44 | N43 | 0.9° | 24.7° |
| FE | O46 | C45 | N43 | 0.7° | 25.2° |
| FE | O46 | C45 | C47 | 179.1° | 146.4° |
| FE | O46 | C45 | H45 | 173.8° | 96.8° |
| O2 | C3 | C4 | C8 | 179.9° | 179.4° |
| O2 | C3 | C4 | C5 | 179.7° | 177.6° |
| O2 | C3 | C4 | H4 | 0.3° | 2.9° |
| O2 | C3 | C8 | C7 | 179.8° | 176.8° |
| O2 | C3 | C8 | C10 | 0.4° | 2.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.5° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 179.8° |
| C4 | C3 | C8 | C7 | 0.4° | 2.7° |
| C4 | C3 | C8 | C10 | 179.4° | 177.7° |
| C8 | C3 | C4 | C5 | 0.5° | 1.8° |
| C8 | C3 | C4 | H4 | 179.5° | 177.7° |
| C3 | C8 | C7 | C6 | 0.1° | 1.7° |
| C3 | C8 | C7 | C10 | 179.7° | 179.5° |
| C3 | C8 | C7 | H7 | 179.9° | 178.2° |
| C3 | C8 | C10 | N11 | 13.5° | 45.1° |
| C3 | C8 | C10 | O14 | 165.7° | 159.4° |
| C3 | C8 | C10 | H10 | 16.4° | 76.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.4° | 0.9° |
| C4 | C5 | C6 | H6 | 179.6° | 179.4° |
| H4 | C4 | C5 | C6 | 179.9° | 179.5° |
| H4 | C4 | C5 | H5 | 0.1° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 0.5° | 0.1° |
| C5 | C6 | C7 | H7 | 179.5° | 180.0° |
| H5 | C5 | C6 | C7 | 179.6° | 178.9° |
| H5 | C5 | C6 | H6 | 0.4° | 0.8° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C10 | 179.9° | 178.7° |
| H6 | C6 | C7 | C8 | 179.5° | 179.8° |
| H6 | C6 | C7 | H7 | 0.5° | 0.2° |
| C7 | C8 | C10 | N11 | 166.7° | 135.3° |
| C7 | C8 | C10 | O14 | 14.0° | 21.0° |
| C7 | C8 | C10 | H10 | 163.9° | 103.5° |
| H7 | C7 | C8 | C10 | 0.1° | 1.3° |
| C8 | C10 | N11 | O14 | 179.2° | 121.4° |
| C8 | C10 | N11 | H10 | 3.1° | 121.8° |
| C8 | C10 | O14 | H10 | 156.3° | 125.1° |
| C8 | C10 | N11 | C12 | 179.8° | 165.6° |
| C8 | C10 | N11 | H11 | 54.5° | 60.7° |
| C8 | C10 | O14 | C13 | 179.5° | 167.1° |
| N11 | C10 | O14 | H10 | 24.2° | 116.9° |
| C10 | N11 | C12 | H11 | 125.3° | 104.8° |
| C10 | N11 | C12 | C13 | 0.7° | 22.2° |
| C10 | N11 | C12 | C15 | 114.2° | 98.0° |
| C10 | N11 | C12 | H12 | 126.9° | 140.8° |
| N11 | C10 | O14 | C13 | 0.1° | 49.1° |
| O14 | C10 | N11 | C12 | 0.5° | 44.3° |
| O14 | C10 | N11 | H11 | 124.7° | 60.6° |
| C10 | O14 | C13 | C12 | 0.3° | 34.0° |
| C10 | O14 | C13 | H131 | 124.9° | 85.2° |
| C10 | O14 | C13 | H132 | 125.6° | 153.3° |
| H10 | C10 | N11 | C12 | 177.1° | 72.5° |
| H10 | C10 | N11 | H11 | 57.6° | 177.4° |
| H10 | C10 | O14 | C13 | 24.1° | 67.8° |
| N11 | C12 | C13 | C15 | 121.4° | 117.1° |
| N11 | C12 | C13 | H12 | 120.3° | 117.6° |
| N11 | C12 | C15 | H12 | 121.3° | 120.0° |
| N11 | C12 | C13 | O14 | 0.6° | 6.5° |
| N11 | C12 | C13 | H131 | 124.7° | 112.1° |
| N11 | C12 | C13 | H132 | 125.8° | 125.2° |
| N11 | C12 | C15 | O16 | 166.2° | 28.0° |
| N11 | C12 | C15 | N17 | 13.0° | 152.2° |
| H11 | N11 | C12 | C13 | 124.6° | 82.6° |
| H11 | N11 | C12 | C15 | 120.6° | 157.1° |
| H11 | N11 | C12 | H12 | 1.6° | 36.0° |
| C13 | C12 | C15 | H12 | 126.4° | 125.1° |
| C12 | C13 | O14 | H131 | 125.3° | 119.3° |
| C12 | C13 | O14 | H132 | 125.3° | 119.3° |
| C12 | C13 | H131 | H132 | 120.0° | 122.8° |
| C13 | C12 | C15 | O16 | 53.8° | 142.9° |
| C13 | C12 | C15 | N17 | 125.3° | 37.4° |
| C15 | C12 | C13 | O14 | 120.8° | 123.6° |
| C15 | C12 | C13 | H131 | 113.9° | 5.0° |
| C15 | C12 | C13 | H132 | 4.5° | 117.7° |
| C12 | C15 | O16 | N17 | 179.2° | 179.8° |
| C12 | C15 | N17 | C18 | 179.6° | 177.4° |
| C12 | C15 | N17 | H17 | 0.4° | 2.8° |
| H12 | C12 | C13 | O14 | 120.9° | 111.2° |
| H12 | C12 | C13 | H131 | 4.4° | 130.3° |
| H12 | C12 | C13 | H132 | 113.8° | 7.6° |
| H12 | C12 | C15 | O16 | 72.6° | 92.0° |
| H12 | C12 | C15 | N17 | 108.3° | 87.8° |
| O14 | C13 | H131 | H132 | 120.0° | 121.1° |
| O16 | C15 | N17 | C18 | 0.5° | 2.9° |
| O16 | C15 | N17 | H17 | 179.5° | 177.0° |
| C15 | N17 | C18 | H17 | 180.0° | 179.8° |
| C15 | N17 | C18 | C19 | 54.7° | 35.3° |
| C15 | N17 | C18 | C39 | 178.3° | 88.1° |
| C15 | N17 | C18 | H18 | 59.6° | 153.1° |
| N17 | C18 | C19 | C39 | 125.4° | 124.5° |
| N17 | C18 | C19 | H18 | 116.4° | 118.0° |
| N17 | C18 | C39 | H18 | 117.1° | 118.7° |
| N17 | C18 | C19 | O20 | 152.9° | 41.9° |
| N17 | C18 | C19 | O21 | 26.1° | 138.7° |
| N17 | C18 | C39 | C40 | 63.7° | 29.6° |
| N17 | C18 | C39 | H391 | 61.6° | 91.0° |
| N17 | C18 | C39 | H392 | 171.0° | 150.9° |
| H17 | N17 | C18 | C19 | 125.3° | 144.6° |
| H17 | N17 | C18 | C39 | 1.7° | 92.1° |
| H17 | N17 | C18 | H18 | 120.4° | 26.8° |
| C19 | C18 | C39 | H18 | 114.6° | 117.0° |
| C18 | C19 | O20 | O21 | 179.1° | 179.4° |
| C18 | C19 | O21 | C22 | 145.5° | 178.8° |
| C19 | C18 | C39 | C40 | 64.6° | 94.8° |
| C19 | C18 | C39 | H391 | 170.1° | 144.7° |
| C19 | C18 | C39 | H392 | 60.7° | 26.6° |
| C39 | C18 | C19 | O20 | 81.7° | 166.5° |
| C39 | C18 | C19 | O21 | 99.3° | 14.1° |
| C18 | C39 | C40 | H391 | 125.3° | 120.5° |
| C18 | C39 | C40 | H392 | 125.3° | 121.5° |
| C18 | C39 | H391 | H392 | 115.9° | 118.8° |
| C18 | C39 | C40 | C41 | 161.2° | 86.1° |
| C18 | C39 | C40 | H401 | 73.5° | 35.4° |
| C18 | C39 | C40 | H402 | 35.9° | 154.2° |
| H18 | C18 | C19 | O20 | 36.5° | 76.1° |
| H18 | C18 | C19 | O21 | 142.5° | 103.3° |
| H18 | C18 | C39 | C40 | 179.2° | 148.3° |
| H18 | C18 | C39 | H391 | 55.5° | 27.7° |
| H18 | C18 | C39 | H392 | 53.9° | 90.4° |
| O20 | C19 | O21 | C22 | 35.4° | 1.8° |
| C19 | O21 | C22 | C25 | 150.4° | 134.0° |
| C19 | O21 | C22 | H221 | 84.4° | 12.8° |
| C19 | O21 | C22 | H222 | 25.1° | 106.9° |
| O21 | C22 | C25 | H221 | 125.3° | 121.0° |
| O21 | C22 | C25 | H222 | 125.3° | 119.1° |
| O21 | C22 | H221 | H222 | 119.6° | 119.6° |
| O21 | C22 | C25 | C27 | 85.4° | 113.1° |
| O21 | C22 | C25 | H251 | 149.3° | 126.4° |
| O21 | C22 | C25 | H252 | 39.9° | 7.2° |
| C25 | C22 | H221 | H222 | 119.6° | 119.7° |
| C22 | C25 | C27 | H251 | 125.3° | 120.5° |
| C22 | C25 | C27 | H252 | 125.3° | 120.2° |
| C22 | C25 | H251 | H252 | 115.5° | 119.3° |
| C22 | C25 | C27 | O28 | 147.0° | 0.5° |
| C22 | C25 | C27 | N29 | 33.8° | 179.6° |
| H221 | C22 | C25 | C27 | 39.8° | 8.0° |
| H221 | C22 | C25 | H251 | 85.5° | 112.6° |
| H221 | C22 | C25 | H252 | 165.1° | 128.2° |
| H222 | C22 | C25 | C27 | 149.3° | 127.9° |
| H222 | C22 | C25 | H251 | 24.0° | 7.3° |
| H222 | C22 | C25 | H252 | 85.4° | 111.9° |
| C27 | C25 | H251 | H252 | 115.5° | 119.5° |
| C25 | C27 | O28 | N29 | 179.2° | 180.0° |
| C25 | C27 | N29 | C30 | 159.3° | 175.5° |
| C25 | C27 | N29 | H29 | 20.7° | 2.7° |
| H251 | C25 | C27 | O28 | 21.7° | 120.0° |
| H251 | C25 | C27 | N29 | 159.0° | 59.9° |
| H252 | C25 | C27 | O28 | 87.8° | 120.7° |
| H252 | C25 | C27 | N29 | 91.5° | 59.4° |
| O28 | C27 | N29 | C30 | 20.0° | 4.5° |
| O28 | C27 | N29 | H29 | 160.0° | 177.4° |
| C27 | N29 | C30 | H29 | 180.0° | 178.1° |
| C27 | N29 | C30 | C31 | 95.2° | 144.0° |
| C27 | N29 | C30 | C37 | 150.9° | 95.4° |
| C27 | N29 | C30 | H30 | 27.2° | 24.9° |
| N29 | C30 | C31 | C37 | 115.2° | 123.8° |
| N29 | C30 | C31 | H30 | 121.3° | 119.9° |
| N29 | C30 | C37 | H30 | 121.1° | 120.9° |
| N29 | C30 | C31 | C32 | 157.7° | 43.1° |
| N29 | C30 | C31 | H311 | 77.0° | 163.4° |
| N29 | C30 | C31 | H312 | 32.5° | 77.8° |
| N29 | C30 | C37 | N35 | 165.7° | 53.2° |
| N29 | C30 | C37 | O38 | 16.0° | 126.6° |
| H29 | N29 | C30 | C31 | 84.8° | 34.1° |
| H29 | N29 | C30 | C37 | 29.1° | 86.5° |
| H29 | N29 | C30 | H30 | 152.8° | 153.2° |
| C31 | C30 | C37 | H30 | 122.0° | 116.1° |
| C30 | C31 | C32 | H311 | 125.3° | 120.1° |
| C30 | C31 | C32 | H312 | 125.3° | 120.5° |
| C30 | C31 | H311 | H312 | 116.0° | 118.6° |
| C30 | C31 | C32 | C33 | 56.2° | 63.6° |
| C30 | C31 | C32 | H321 | 178.6° | 174.7° |
| C30 | C31 | C32 | H322 | 69.1° | 60.4° |
| C31 | C30 | C37 | N35 | 77.4° | 69.7° |
| C31 | C30 | C37 | O38 | 100.9° | 110.5° |
| C37 | C30 | C31 | C32 | 87.0° | 80.7° |
| C37 | C30 | C31 | H311 | 38.2° | 39.6° |
| C37 | C30 | C31 | H312 | 147.7° | 158.4° |
| C30 | C37 | N35 | C34 | 1.5° | 1.5° |
| C30 | C37 | N35 | O36 | 177.6° | 178.8° |
| C30 | C37 | N35 | O38 | 178.4° | 179.8° |
| H30 | C30 | C31 | C32 | 36.5° | 163.0° |
| H30 | C30 | C31 | H311 | 161.7° | 76.7° |
| H30 | C30 | C31 | H312 | 88.8° | 42.1° |
| H30 | C30 | C37 | N35 | 44.6° | 174.1° |
| H30 | C30 | C37 | O38 | 137.0° | 5.7° |
| C32 | C31 | H311 | H312 | 116.0° | 119.5° |
| C31 | C32 | C33 | H321 | 125.3° | 121.5° |
| C31 | C32 | C33 | H322 | 125.3° | 123.9° |
| C31 | C32 | H321 | H322 | 116.6° | 115.8° |
| C31 | C32 | C33 | C34 | 51.2° | 62.9° |
| C31 | C32 | C33 | H331 | 74.0° | 57.5° |
| C31 | C32 | C33 | H332 | 176.5° | 176.5° |
| H311 | C31 | C32 | C33 | 69.1° | 56.6° |
| H311 | C31 | C32 | H321 | 56.2° | 65.1° |
| H311 | C31 | C32 | H322 | 165.7° | 179.5° |
| H312 | C31 | C32 | C33 | 178.5° | 175.9° |
| H312 | C31 | C32 | H321 | 53.3° | 54.2° |
| H312 | C31 | C32 | H322 | 56.2° | 60.1° |
| C33 | C32 | H321 | H322 | 116.6° | 116.0° |
| C32 | C33 | C34 | H331 | 125.2° | 120.6° |
| C32 | C33 | C34 | H332 | 125.3° | 120.9° |
| C32 | C33 | H331 | H332 | 116.7° | 119.3° |
| C32 | C33 | C34 | N35 | 79.2° | 81.5° |
| C32 | C33 | C34 | H341 | 155.5° | 160.5° |
| C32 | C33 | C34 | H342 | 46.0° | 39.8° |
| H321 | C32 | C33 | C34 | 176.5° | 175.6° |
| H321 | C32 | C33 | H331 | 51.2° | 64.0° |
| H321 | C32 | C33 | H332 | 58.2° | 55.0° |
| H322 | C32 | C33 | C34 | 74.0° | 61.0° |
| H322 | C32 | C33 | H331 | 160.7° | 178.5° |
| H322 | C32 | C33 | H332 | 51.2° | 59.6° |
| C34 | C33 | H331 | H332 | 116.8° | 118.4° |
| C33 | C34 | N35 | H341 | 125.3° | 118.1° |
| C33 | C34 | N35 | H342 | 125.3° | 121.5° |
| C33 | C34 | H341 | H342 | 118.3° | 121.6° |
| C33 | C34 | N35 | O36 | 101.5° | 108.2° |
| C33 | C34 | N35 | C37 | 75.0° | 72.1° |
| H331 | C33 | C34 | N35 | 46.0° | 39.1° |
| H331 | C33 | C34 | H341 | 79.2° | 78.9° |
| H331 | C33 | C34 | H342 | 171.3° | 160.4° |
| H332 | C33 | C34 | N35 | 155.5° | 157.6° |
| H332 | C33 | C34 | H341 | 30.3° | 39.6° |
| H332 | C33 | C34 | H342 | 79.3° | 81.1° |
| N35 | C34 | H341 | H342 | 118.3° | 121.0° |
| C34 | N35 | O36 | C37 | 176.3° | 179.7° |
| C34 | N35 | C37 | O38 | 177.0° | 178.3° |
| H341 | C34 | N35 | O36 | 23.8° | 10.0° |
| H341 | C34 | N35 | C37 | 159.8° | 169.7° |
| H342 | C34 | N35 | O36 | 133.3° | 130.3° |
| H342 | C34 | N35 | C37 | 50.3° | 49.4° |
| O36 | N35 | C37 | O38 | 0.8° | 1.4° |
| C40 | C39 | H391 | H392 | 115.9° | 118.5° |
| C39 | C40 | C41 | H401 | 125.2° | 121.9° |
| C39 | C40 | C41 | H402 | 125.3° | 119.8° |
| C39 | C40 | H401 | H402 | 118.4° | 119.1° |
| C39 | C40 | C41 | C42 | 82.3° | 153.2° |
| C39 | C40 | C41 | H411 | 42.9° | 87.0° |
| C39 | C40 | C41 | H412 | 152.4° | 33.5° |
| H391 | C39 | C40 | C41 | 35.9° | 153.4° |
| H391 | C39 | C40 | H401 | 161.2° | 85.2° |
| H391 | C39 | C40 | H402 | 89.4° | 33.7° |
| H392 | C39 | C40 | C41 | 73.5° | 35.4° |
| H392 | C39 | C40 | H401 | 51.8° | 156.9° |
| H392 | C39 | C40 | H402 | 161.2° | 84.3° |
| C41 | C40 | H401 | H402 | 118.4° | 118.5° |
| C40 | C41 | C42 | H411 | 125.3° | 119.9° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | H411 | H412 | 117.8° | 120.8° |
| C40 | C41 | C42 | N43 | 41.9° | 152.6° |
| C40 | C41 | C42 | H421 | 83.4° | 88.0° |
| C40 | C41 | C42 | H422 | 167.1° | 33.3° |
| H401 | C40 | C41 | C42 | 152.4° | 31.3° |
| H401 | C40 | C41 | H411 | 82.3° | 151.1° |
| H401 | C40 | C41 | H412 | 27.2° | 88.4° |
| H402 | C40 | C41 | C42 | 42.9° | 87.0° |
| H402 | C40 | C41 | H411 | 168.2° | 32.7° |
| H402 | C40 | C41 | H412 | 82.3° | 153.3° |
| C42 | C41 | H411 | H412 | 117.8° | 120.0° |
| C41 | C42 | N43 | H421 | 125.2° | 119.6° |
| C41 | C42 | N43 | H422 | 125.3° | 119.2° |
| C41 | C42 | H421 | H422 | 117.1° | 120.1° |
| C41 | C42 | N43 | O44 | 94.5° | 91.9° |
| C41 | C42 | N43 | C45 | 85.3° | 147.8° |
| H411 | C41 | C42 | N43 | 167.1° | 32.7° |
| H411 | C41 | C42 | H421 | 41.9° | 152.1° |
| H411 | C41 | C42 | H422 | 67.6° | 86.5° |
| H412 | C41 | C42 | N43 | 83.4° | 87.4° |
| H412 | C41 | C42 | H421 | 151.4° | 32.0° |
| H412 | C41 | C42 | H422 | 41.9° | 153.4° |
| N43 | C42 | H421 | H422 | 117.1° | 120.0° |
| C42 | N43 | O44 | C45 | 179.8° | 114.3° |
| C42 | N43 | C45 | O46 | 179.8° | 121.4° |
| C42 | N43 | C45 | C47 | 0.1° | 117.0° |
| C42 | N43 | C45 | H45 | 171.6° | 0.7° |
| H421 | C42 | N43 | O44 | 30.8° | 27.7° |
| H421 | C42 | N43 | C45 | 149.4° | 92.5° |
| H422 | C42 | N43 | O44 | 140.3° | 148.9° |
| H422 | C42 | N43 | C45 | 39.9° | 28.6° |
| O44 | N43 | C45 | O46 | 0.0° | 8.4° |
| O44 | N43 | C45 | C47 | 179.9° | 129.9° |
| O44 | N43 | C45 | H45 | 8.6° | 113.7° |
| N43 | C45 | O46 | C47 | 179.9° | 121.2° |
| N43 | C45 | O46 | H45 | 173.1° | 122.0° |
| N43 | C45 | C47 | H45 | 176.2° | 116.1° |
| N43 | C45 | C47 | C48 | 160.0° | 121.2° |
| N43 | C45 | C47 | H47 | 20.0° | 58.8° |
| O46 | C45 | C47 | H45 | 3.9° | 116.8° |
| O46 | C45 | C47 | C48 | 19.9° | 111.7° |
| O46 | C45 | C47 | H47 | 160.1° | 68.3° |
| C45 | C47 | C48 | H47 | 180.0° | 180.0° |
| C45 | C47 | C48 | C49 | 0.1° | 8.9° |
| C45 | C47 | C48 | H48 | 179.9° | 171.0° |
| H45 | C45 | C47 | C48 | 23.8° | 5.1° |
| H45 | C45 | C47 | H47 | 156.2° | 174.9° |
| C47 | C48 | C49 | H48 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 53.1° | 127.8° |
| C47 | C48 | C49 | H491 | 178.4° | 7.8° |
| C47 | C48 | C49 | H492 | 72.1° | 112.3° |
| H47 | C47 | C48 | C49 | 179.9° | 171.1° |
| H47 | C47 | C48 | H48 | 0.1° | 9.0° |
| C48 | C49 | C50 | H491 | 125.3° | 120.0° |
| C48 | C49 | C50 | H492 | 125.3° | 119.9° |
| C48 | C49 | H491 | H492 | 118.4° | 120.0° |
| C48 | C49 | C50 | C51 | 121.3° | 180.0° |
| C48 | C49 | C50 | H501 | 113.4° | 60.0° |
| C48 | C49 | C50 | H502 | 4.0° | 60.0° |
| H48 | C48 | C49 | C50 | 126.9° | 52.2° |
| H48 | C48 | C49 | H491 | 1.6° | 172.2° |
| H48 | C48 | C49 | H492 | 107.9° | 67.7° |
| C50 | C49 | H491 | H492 | 118.4° | 120.0° |
| C49 | C50 | C51 | H501 | 125.3° | 120.0° |
| C49 | C50 | C51 | H502 | 125.2° | 120.0° |
| C49 | C50 | H501 | H502 | 116.2° | 120.0° |
| C49 | C50 | C51 | C52 | 168.9° | 180.0° |
| C49 | C50 | C51 | H511 | 65.9° | 60.0° |
| C49 | C50 | C51 | H512 | 43.6° | 60.0° |
| H491 | C49 | C50 | C51 | 3.9° | 60.0° |
| H491 | C49 | C50 | H501 | 121.3° | 180.0° |
| H491 | C49 | C50 | H502 | 129.2° | 60.0° |
| H492 | C49 | C50 | C51 | 113.4° | 60.0° |
| H492 | C49 | C50 | H501 | 11.8° | 59.9° |
| H492 | C49 | C50 | H502 | 121.3° | 180.0° |
| C51 | C50 | H501 | H502 | 116.2° | 120.0° |
| C50 | C51 | C52 | H511 | 125.2° | 120.0° |
| C50 | C51 | C52 | H512 | 125.3° | 120.0° |
| C50 | C51 | H511 | H512 | 110.3° | 120.0° |
| C50 | C51 | C52 | C53 | 2.2° | NaN° |
| C50 | C51 | C52 | H521 | 123.1° | 60.0° |
| C50 | C51 | C52 | H522 | 127.5° | 60.0° |
| H501 | C50 | C51 | C52 | 43.6° | 60.0° |
| H501 | C50 | C51 | H511 | 168.9° | 179.9° |
| H501 | C50 | C51 | H512 | 81.7° | 60.0° |
| H502 | C50 | C51 | C52 | 65.9° | 60.0° |
| H502 | C50 | C51 | H511 | 59.4° | 60.1° |
| H502 | C50 | C51 | H512 | 168.8° | 180.0° |
| C52 | C51 | H511 | H512 | 110.3° | 120.0° |
| C51 | C52 | C53 | H521 | 125.3° | 120.0° |
| C51 | C52 | C53 | H522 | 125.3° | 120.0° |
| C51 | C52 | H521 | H522 | 104.4° | 120.0° |
| C51 | C52 | C53 | C54 | 29.6° | 180.0° |
| C51 | C52 | C53 | H531 | 95.6° | 60.0° |
| C51 | C52 | C53 | H532 | 154.9° | 60.0° |
| H511 | C51 | C52 | C53 | 127.4° | 60.0° |
| H511 | C51 | C52 | H521 | 2.1° | 180.0° |
| H511 | C51 | C52 | H522 | 107.3° | 60.1° |
| H512 | C51 | C52 | C53 | 123.1° | 60.0° |
| H512 | C51 | C52 | H521 | 111.6° | 60.0° |
| H512 | C51 | C52 | H522 | 2.2° | 180.0° |
| C53 | C52 | H521 | H522 | 104.4° | 120.0° |
| C52 | C53 | C54 | H531 | 125.2° | 120.0° |
| C52 | C53 | C54 | H532 | 125.3° | 120.0° |
| C52 | C53 | H531 | H532 | 98.2° | 120.0° |
| C52 | C53 | C54 | C55 | 73.8° | 180.0° |
| C52 | C53 | C54 | H541 | 51.4° | 60.0° |
| C52 | C53 | C54 | H542 | 160.9° | 60.0° |
| H521 | C52 | C53 | C54 | 154.9° | 60.0° |
| H521 | C52 | C53 | H531 | 29.6° | 180.0° |
| H521 | C52 | C53 | H532 | 79.8° | 60.0° |
| H522 | C52 | C53 | C54 | 95.6° | 59.9° |
| H522 | C52 | C53 | H531 | 139.1° | 60.0° |
| H522 | C52 | C53 | H532 | 29.6° | 180.0° |
| C54 | C53 | H531 | H532 | 98.3° | 120.0° |
| C53 | C54 | C55 | H541 | 125.3° | 120.0° |
| C53 | C54 | C55 | H542 | 125.3° | 120.0° |
| C53 | C54 | H541 | H542 | 106.1° | 120.0° |
| C53 | C54 | C55 | O56 | 126.9° | 0.1° |
| C53 | C54 | C55 | O57 | 52.0° | 180.0° |
| H531 | C53 | C54 | C55 | 160.9° | 60.0° |
| H531 | C53 | C54 | H541 | 73.8° | 180.0° |
| H531 | C53 | C54 | H542 | 35.7° | 60.0° |
| H532 | C53 | C54 | C55 | 51.5° | 60.0° |
| H532 | C53 | C54 | H541 | 176.7° | 60.0° |
| H532 | C53 | C54 | H542 | 73.8° | 180.0° |
| C55 | C54 | H541 | H542 | 106.2° | 120.0° |
| C54 | C55 | O56 | O57 | 178.9° | 179.9° |
| C54 | C55 | O57 | H57 | 180.0° | 180.0° |
| H541 | C54 | C55 | O56 | 1.7° | 120.1° |
| H541 | C54 | C55 | O57 | 177.2° | 60.0° |
| H542 | C54 | C55 | O56 | 107.8° | 119.9° |
| H542 | C54 | C55 | O57 | 73.3° | 60.0° |
| O56 | C55 | O57 | H57 | 1.1° | 0.1° |
