CM1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE | O2 | sing | 1.79Å | 1.98Å | |
| FE | O36 | sing | 1.79Å | 2.02Å | |
| FE | O44 | sing | 1.80Å | 2.02Å | |
| FE | O46 | sing | 1.80Å | 2.05Å | |
| O2 | C3 | sing | 1.35Å | 1.30Å | |
| C3 | C4 | doub | 1.39Å | 1.47Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.48Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.39Å | 1.46Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.38Å | 1.48Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.40Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C10 | sing | 1.48Å | 1.40Å | |
| C10 | N11 | doub | 1.30Å | 1.27Å | |
| C10 | O14 | sing | 1.35Å | 1.45Å | |
| N11 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | C13 | sing | 1.55Å | 1.57Å | |
| C12 | C15 | sing | 1.51Å | 1.47Å | |
| C12 | H12 | sing | 1.08Å | 1.11Å | |
| C13 | O14 | sing | 1.44Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C15 | O16 | doub | 1.21Å | 1.26Å | |
| C15 | N17 | sing | 1.34Å | 1.38Å | |
| N17 | C18 | sing | 1.46Å | 1.51Å | |
| N17 | H17 | sing | 0.98Å | 1.02Å | |
| C18 | C19 | sing | 1.50Å | 1.47Å | |
| C18 | C39 | sing | 1.52Å | 1.57Å | |
| C18 | H18 | sing | 1.11Å | 1.12Å | |
| C19 | O20 | doub | 1.22Å | 1.26Å | |
| C19 | O21 | sing | 1.34Å | 1.38Å | |
| O21 | C22 | sing | 1.45Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C25 | sing | 1.53Å | 1.52Å | |
| C22 | H22 | sing | 1.10Å | 1.11Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.12Å | |
| C25 | C27 | sing | 1.53Å | 1.45Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C27 | O28 | sing | 1.43Å | 1.20Å | |
| C27 | N29 | sing | 1.46Å | 1.42Å | |
| C27 | H27 | sing | 1.09Å | 1.12Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| N29 | C30 | sing | 1.44Å | 1.50Å | |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| C30 | C31 | sing | 1.54Å | 1.53Å | |
| C30 | C37 | sing | 1.53Å | 1.56Å | |
| C30 | H30 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | sing | 1.51Å | 1.60Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.51Å | 1.67Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | N35 | sing | 1.48Å | 1.50Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| N35 | O36 | sing | 1.42Å | 1.33Å | |
| N35 | C37 | sing | 1.32Å | 1.32Å | |
| C37 | O38 | doub | 1.21Å | 1.31Å | |
| C39 | C40 | sing | 1.52Å | 1.56Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.10Å | 1.12Å | |
| C40 | C41 | sing | 1.53Å | 1.60Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C41 | C42 | sing | 1.53Å | 1.59Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C42 | N43 | sing | 1.45Å | 1.51Å | |
| C42 | H421 | sing | 1.07Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| N43 | O44 | sing | 1.48Å | 1.42Å | |
| N43 | C45 | sing | 1.48Å | 1.34Å | |
| C45 | O46 | sing | 1.44Å | 1.31Å | |
| C45 | C47 | sing | 1.50Å | 1.57Å | |
| C45 | H45 | sing | 1.08Å | 1.11Å | |
| C47 | C48 | doub | 1.31Å | 1.33Å | |
| C47 | H47 | sing | 1.08Å | 1.10Å | |
| C48 | C49 | sing | 1.51Å | 1.60Å | |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.74Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C50 | C51 | sing | 1.53Å | 1.58Å | |
| C50 | H501 | sing | 1.09Å | 1.12Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C51 | C52 | sing | 1.53Å | 1.32Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C52 | C53 | sing | 1.53Å | 1.50Å | |
| C52 | H521 | sing | 1.09Å | 1.12Å | |
| C52 | H522 | sing | 1.09Å | 1.11Å | |
| C53 | C54 | sing | 1.53Å | 1.54Å | |
| C53 | H531 | sing | 1.09Å | 1.12Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C54 | C55 | sing | 1.51Å | 1.50Å | |
| C54 | H541 | sing | 1.09Å | 1.12Å | |
| C54 | H542 | sing | 1.09Å | 1.11Å | |
| C55 | O56 | sing | 1.34Å | 1.22Å | |
| C55 | O57 | doub | 1.21Å | 1.29Å | |
| O56 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | FE | O36 | 91.6° | 91.4° |
| O2 | FE | O44 | 102.6° | 159.8° |
| O2 | FE | O46 | 95.7° | 91.6° |
| FE | O2 | C3 | 134.4° | 108.2° |
| O36 | FE | O44 | 160.2° | 94.1° |
| O36 | FE | O46 | 86.3° | 160.9° |
| FE | O36 | N35 | 109.7° | 108.7° |
| O44 | FE | O46 | 78.6° | 89.5° |
| FE | O44 | N43 | 113.3° | 104.7° |
| FE | O46 | C45 | 113.9° | 107.7° |
| O2 | C3 | C4 | 116.5° | 119.7° |
| O2 | C3 | C8 | 124.1° | 120.8° |
| C4 | C3 | C8 | 119.4° | 119.5° |
| C3 | C4 | C5 | 119.7° | 120.2° |
| C3 | C4 | H4 | 122.6° | 119.9° |
| C3 | C8 | C7 | 121.2° | 119.6° |
| C3 | C8 | C10 | 116.4° | 120.6° |
| C5 | C4 | H4 | 117.7° | 119.9° |
| C4 | C5 | C6 | 121.1° | 120.4° |
| C4 | C5 | H5 | 117.3° | 119.9° |
| C6 | C5 | H5 | 121.5° | 119.7° |
| C5 | C6 | C7 | 120.9° | 120.2° |
| C5 | C6 | H6 | 118.9° | 119.9° |
| C7 | C6 | H6 | 120.2° | 119.9° |
| C6 | C7 | C8 | 117.6° | 120.1° |
| C6 | C7 | H7 | 122.7° | 120.0° |
| C8 | C7 | H7 | 119.7° | 119.9° |
| C7 | C8 | C10 | 122.4° | 119.7° |
| C8 | C10 | N11 | 136.0° | 123.2° |
| C8 | C10 | O14 | 110.5° | 123.3° |
| N11 | C10 | O14 | 113.4° | 113.4° |
| C10 | N11 | C12 | 112.9° | 108.3° |
| C10 | O14 | C13 | 106.9° | 106.9° |
| N11 | C12 | C13 | 102.9° | 101.4° |
| N11 | C12 | C15 | 115.4° | 109.3° |
| N11 | C12 | H12 | 109.4° | 112.3° |
| C13 | C12 | C15 | 107.4° | 109.5° |
| C13 | C12 | H12 | 117.1° | 112.1° |
| C12 | C13 | O14 | 103.8° | 100.5° |
| C12 | C13 | H131 | 114.4° | 111.3° |
| C12 | C13 | H132 | 114.4° | 111.1° |
| C15 | C12 | H12 | 105.1° | 111.7° |
| C12 | C15 | O16 | 115.2° | 118.7° |
| C12 | C15 | N17 | 129.4° | 120.1° |
| O14 | C13 | H131 | 114.4° | 111.2° |
| O14 | C13 | H132 | 114.3° | 111.1° |
| H131 | C13 | H132 | 96.1° | 111.2° |
| O16 | C15 | N17 | 115.4° | 121.1° |
| C15 | N17 | C18 | 124.5° | 123.2° |
| C15 | N17 | H17 | 113.0° | 118.4° |
| C18 | N17 | H17 | 122.5° | 118.4° |
| N17 | C18 | C19 | 116.1° | 111.7° |
| N17 | C18 | C39 | 110.4° | 111.2° |
| N17 | C18 | H18 | 103.9° | 106.6° |
| C19 | C18 | C39 | 108.9° | 113.2° |
| C19 | C18 | H18 | 105.5° | 106.9° |
| C18 | C19 | O20 | 125.1° | 118.0° |
| C18 | C19 | O21 | 120.6° | 123.2° |
| C39 | C18 | H18 | 111.9° | 106.9° |
| C18 | C39 | C40 | 111.9° | 112.7° |
| C18 | C39 | H391 | 111.3° | 109.3° |
| C18 | C39 | H392 | 111.3° | 109.2° |
| O20 | C19 | O21 | 114.4° | 118.8° |
| C19 | O21 | C22 | 121.9° | 121.0° |
| O21 | C22 | C23 | 108.6° | 110.5° |
| O21 | C22 | C25 | 107.1° | 110.5° |
| O21 | C22 | H22 | 114.2° | 108.8° |
| C23 | C22 | C25 | 116.2° | 109.7° |
| C23 | C22 | H22 | 104.8° | 108.6° |
| C22 | C23 | H231 | 112.5° | 109.5° |
| C22 | C23 | H232 | 108.6° | 109.5° |
| C22 | C23 | H233 | 112.5° | 109.5° |
| C25 | C22 | H22 | 106.3° | 108.7° |
| C22 | C25 | C27 | 117.9° | 110.9° |
| C22 | C25 | H251 | 109.2° | 109.1° |
| C22 | C25 | H252 | 109.2° | 109.4° |
| H231 | C23 | H232 | 112.5° | 109.5° |
| H231 | C23 | H233 | 97.9° | 109.4° |
| H232 | C23 | H233 | 112.6° | 109.4° |
| C27 | C25 | H251 | 109.1° | 109.2° |
| C27 | C25 | H252 | 109.2° | 109.4° |
| C25 | C27 | O28 | 129.0° | 109.7° |
| C25 | C27 | N29 | 115.8° | 110.3° |
| C25 | C27 | H27 | 62.2° | 109.2° |
| H251 | C25 | H252 | 100.9° | 108.9° |
| O28 | C27 | N29 | 115.2° | 108.6° |
| O28 | C27 | H27 | 66.9° | 108.9° |
| C27 | O28 | H28 | 129.0° | 106.8° |
| N29 | C27 | H27 | 176.0° | 110.1° |
| C27 | N29 | C30 | 122.2° | 112.2° |
| C27 | N29 | H29 | 107.7° | 115.0° |
| C30 | N29 | H29 | 107.6° | 116.2° |
| N29 | C30 | C31 | 110.1° | 110.6° |
| N29 | C30 | C37 | 107.8° | 111.8° |
| N29 | C30 | H30 | 108.4° | 110.9° |
| C31 | C30 | C37 | 103.2° | 107.1° |
| C31 | C30 | H30 | 112.6° | 108.2° |
| C30 | C31 | C32 | 116.6° | 111.5° |
| C30 | C31 | H311 | 109.6° | 108.9° |
| C30 | C31 | H312 | 109.6° | 108.7° |
| C37 | C30 | H30 | 114.7° | 108.1° |
| C30 | C37 | N35 | 120.6° | 121.1° |
| C30 | C37 | O38 | 121.9° | 119.1° |
| C32 | C31 | H311 | 109.7° | 109.4° |
| C32 | C31 | H312 | 109.6° | 109.2° |
| C31 | C32 | C33 | 118.9° | 118.3° |
| C31 | C32 | H321 | 108.8° | 107.8° |
| C31 | C32 | H322 | 108.8° | 108.0° |
| H311 | C31 | H312 | 100.6° | 109.1° |
| C33 | C32 | H321 | 108.8° | 107.8° |
| C33 | C32 | H322 | 108.8° | 107.7° |
| C32 | C33 | C34 | 113.6° | 111.8° |
| C32 | C33 | H331 | 110.7° | 109.2° |
| C32 | C33 | H332 | 110.7° | 109.1° |
| H321 | C32 | H322 | 101.3° | 106.7° |
| C34 | C33 | H331 | 110.7° | 109.0° |
| C34 | C33 | H332 | 110.7° | 108.8° |
| C33 | C34 | N35 | 104.9° | 107.9° |
| C33 | C34 | H341 | 113.9° | 109.3° |
| C33 | C34 | H342 | 114.0° | 110.3° |
| H331 | C33 | H332 | 99.6° | 108.9° |
| N35 | C34 | H341 | 114.0° | 109.2° |
| N35 | C34 | H342 | 113.9° | 110.4° |
| C34 | N35 | O36 | 116.0° | 118.4° |
| C34 | N35 | C37 | 120.6° | 121.9° |
| H341 | C34 | H342 | 96.5° | 109.7° |
| O36 | N35 | C37 | 123.2° | 119.7° |
| N35 | C37 | O38 | 117.4° | 119.9° |
| C40 | C39 | H391 | 111.3° | 109.1° |
| C40 | C39 | H392 | 111.3° | 108.7° |
| C39 | C40 | C41 | 108.1° | 109.4° |
| C39 | C40 | H401 | 112.7° | 109.6° |
| C39 | C40 | H402 | 112.7° | 110.3° |
| H391 | C39 | H392 | 99.0° | 107.8° |
| C41 | C40 | H401 | 112.7° | 109.0° |
| C41 | C40 | H402 | 112.7° | 108.9° |
| C40 | C41 | C42 | 111.8° | 109.6° |
| C40 | C41 | H411 | 111.4° | 109.4° |
| C40 | C41 | H412 | 111.4° | 109.4° |
| H401 | C40 | H402 | 97.7° | 109.6° |
| C42 | C41 | H411 | 111.4° | 109.3° |
| C42 | C41 | H412 | 111.4° | 109.5° |
| C41 | C42 | N43 | 109.1° | 110.5° |
| C41 | C42 | H421 | 112.4° | 109.7° |
| C41 | C42 | H422 | 112.4° | 108.9° |
| H411 | C41 | H412 | 99.0° | 109.5° |
| N43 | C42 | H421 | 112.3° | 111.4° |
| N43 | C42 | H422 | 112.3° | 106.7° |
| C42 | N43 | O44 | 116.1° | 110.7° |
| C42 | N43 | C45 | 129.3° | 112.3° |
| H421 | C42 | H422 | 98.1° | 109.4° |
| O44 | N43 | C45 | 114.6° | 100.8° |
| N43 | C45 | O46 | 119.6° | 103.8° |
| N43 | C45 | C47 | 118.6° | 110.5° |
| N43 | C45 | H45 | 161.0° | 110.0° |
| O46 | C45 | C47 | 121.8° | 108.4° |
| O46 | C45 | H45 | 42.2° | 111.6° |
| C47 | C45 | H45 | 79.9° | 112.2° |
| C45 | C47 | C48 | 121.1° | 120.0° |
| C45 | C47 | H47 | 127.7° | 120.0° |
| C48 | C47 | H47 | 111.3° | 120.1° |
| C47 | C48 | C49 | 139.2° | 120.0° |
| C47 | C48 | H48 | 96.9° | 120.0° |
| C49 | C48 | H48 | 123.9° | 120.0° |
| C48 | C49 | C50 | 106.3° | 109.4° |
| C48 | C49 | H491 | 113.4° | 109.5° |
| C48 | C49 | H492 | 113.4° | 109.4° |
| C50 | C49 | H491 | 113.4° | 109.5° |
| C50 | C49 | H492 | 113.4° | 109.5° |
| C49 | C50 | C51 | 113.6° | 109.5° |
| C49 | C50 | H501 | 110.7° | 109.5° |
| C49 | C50 | H502 | 110.7° | 109.5° |
| H491 | C49 | H492 | 97.1° | 109.5° |
| C51 | C50 | H501 | 110.7° | 109.5° |
| C51 | C50 | H502 | 110.7° | 109.5° |
| C50 | C51 | C52 | 132.4° | 109.5° |
| C50 | C51 | H511 | 104.3° | 109.5° |
| C50 | C51 | H512 | 104.3° | 109.4° |
| H501 | C50 | H502 | 99.6° | 109.4° |
| C52 | C51 | H511 | 104.3° | 109.5° |
| C52 | C51 | H512 | 104.3° | 109.5° |
| C51 | C52 | C53 | 144.1° | 109.5° |
| C51 | C52 | H521 | 100.6° | 109.5° |
| C51 | C52 | H522 | 100.6° | 109.5° |
| H511 | C51 | H512 | 104.6° | 109.5° |
| C53 | C52 | H521 | 100.6° | 109.5° |
| C53 | C52 | H522 | 100.6° | 109.5° |
| C52 | C53 | C54 | 161.9° | 109.5° |
| C52 | C53 | H531 | 95.3° | 109.5° |
| C52 | C53 | H532 | 95.3° | 109.5° |
| H521 | C52 | H522 | 106.8° | 109.4° |
| C54 | C53 | H531 | 95.3° | 109.4° |
| C54 | C53 | H532 | 95.3° | 109.5° |
| C53 | C54 | C55 | 137.3° | 109.5° |
| C53 | C54 | H541 | 102.7° | 109.5° |
| C53 | C54 | H542 | 102.7° | 109.5° |
| H531 | C53 | H532 | 108.8° | 109.5° |
| C55 | C54 | H541 | 102.7° | 109.4° |
| C55 | C54 | H542 | 102.7° | 109.5° |
| C54 | C55 | O56 | 123.3° | 120.0° |
| C54 | C55 | O57 | 113.4° | 120.0° |
| H541 | C54 | H542 | 105.6° | 109.5° |
| O56 | C55 | O57 | 123.3° | 120.0° |
| C55 | O56 | H56 | 123.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | FE | O36 | O44 | 136.1° | 160.5° |
| O2 | FE | O36 | O46 | 95.6° | 99.0° |
| O2 | FE | O44 | O46 | 93.4° | 93.3° |
| FE | O2 | C3 | C4 | 171.1° | 83.5° |
| FE | O2 | C3 | C8 | 7.5° | 97.7° |
| O2 | FE | O36 | N35 | 177.9° | 130.1° |
| O2 | FE | O44 | N43 | 94.0° | 69.1° |
| O2 | FE | O46 | C45 | 101.9° | 169.7° |
| O36 | FE | O44 | O46 | 41.3° | 161.2° |
| O36 | FE | O2 | C3 | 115.3° | 134.2° |
| FE | O36 | N35 | C34 | 172.0° | 91.5° |
| FE | O36 | N35 | C37 | 2.5° | 89.4° |
| O36 | FE | O44 | N43 | 40.7° | 174.5° |
| O36 | FE | O46 | C45 | 166.9° | 91.3° |
| O44 | FE | O2 | C3 | 78.6° | 119.9° |
| O44 | FE | O36 | N35 | 46.0° | 30.4° |
| FE | O44 | N43 | C42 | 179.0° | 170.3° |
| FE | O44 | N43 | C45 | 0.9° | 51.2° |
| O44 | FE | O46 | C45 | 0.2° | 9.9° |
| O46 | FE | O2 | C3 | 158.2° | 27.0° |
| O46 | FE | O36 | N35 | 86.5° | 130.9° |
| O46 | FE | O44 | N43 | 0.6° | 24.2° |
| FE | O46 | C45 | N43 | 0.3° | 41.7° |
| FE | O46 | C45 | C47 | 179.8° | 75.8° |
| FE | O46 | C45 | H45 | 172.6° | 160.1° |
| O2 | C3 | C4 | C8 | 178.6° | 178.9° |
| O2 | C3 | C4 | C5 | 178.2° | 178.0° |
| O2 | C3 | C4 | H4 | 1.8° | 2.0° |
| O2 | C3 | C8 | C7 | 178.1° | 177.2° |
| O2 | C3 | C8 | C10 | 4.2° | 2.5° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.2° |
| C3 | C4 | C5 | H5 | 180.0° | 179.6° |
| C4 | C3 | C8 | C7 | 0.4° | 1.7° |
| C4 | C3 | C8 | C10 | 177.3° | 178.7° |
| C8 | C3 | C4 | C5 | 0.4° | 0.9° |
| C8 | C3 | C4 | H4 | 179.6° | 179.2° |
| C3 | C8 | C7 | C6 | 0.1° | 1.4° |
| C3 | C8 | C7 | C10 | 177.6° | 179.6° |
| C3 | C8 | C7 | H7 | 179.9° | 178.7° |
| C3 | C8 | C10 | N11 | 7.2° | 11.2° |
| C3 | C8 | C10 | O14 | 171.2° | 171.3° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.5° | 0.5° |
| C4 | C5 | C6 | H6 | 179.5° | 179.6° |
| H4 | C4 | C5 | C6 | 179.9° | 179.7° |
| H4 | C4 | C5 | H5 | 0.1° | 0.5° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.3° |
| C5 | C6 | C7 | H7 | 179.5° | 179.8° |
| H5 | C5 | C6 | C7 | 179.5° | 179.2° |
| H5 | C5 | C6 | H6 | 0.5° | 0.6° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C10 | 177.7° | 179.0° |
| H6 | C6 | C7 | C8 | 179.5° | 179.6° |
| H6 | C6 | C7 | H7 | 0.5° | 0.4° |
| C7 | C8 | C10 | N11 | 175.1° | 169.2° |
| C7 | C8 | C10 | O14 | 6.5° | 8.4° |
| H7 | C7 | C8 | C10 | 2.3° | 1.0° |
| C8 | C10 | N11 | O14 | 178.4° | 177.8° |
| C8 | C10 | N11 | C12 | 179.9° | 175.6° |
| C8 | C10 | O14 | C13 | 179.8° | 155.9° |
| C10 | N11 | C12 | C13 | 1.7° | 16.6° |
| C10 | N11 | C12 | C15 | 115.0° | 132.1° |
| C10 | N11 | C12 | H12 | 126.8° | 103.3° |
| N11 | C10 | O14 | C13 | 1.0° | 21.8° |
| O14 | C10 | N11 | C12 | 1.7° | 2.1° |
| C10 | O14 | C13 | C12 | 0.2° | 29.9° |
| C10 | O14 | C13 | H131 | 125.1° | 88.0° |
| C10 | O14 | C13 | H132 | 125.4° | 147.5° |
| N11 | C12 | C13 | C15 | 122.2° | 115.4° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C15 | H12 | 120.6° | 125.0° |
| N11 | C12 | C13 | O14 | 1.0° | 27.4° |
| N11 | C12 | C13 | H131 | 124.3° | 90.5° |
| N11 | C12 | C13 | H132 | 126.2° | 145.0° |
| N11 | C12 | C15 | O16 | 169.7° | 16.6° |
| N11 | C12 | C15 | N17 | 11.8° | 162.5° |
| C13 | C12 | C15 | H12 | 125.3° | 124.8° |
| C12 | C13 | O14 | H131 | 125.3° | 117.9° |
| C12 | C13 | O14 | H132 | 125.3° | 117.6° |
| C12 | C13 | H131 | H132 | 120.3° | 124.5° |
| C13 | C12 | C15 | O16 | 55.6° | 126.9° |
| C13 | C12 | C15 | N17 | 125.8° | 52.2° |
| C15 | C12 | C13 | O14 | 121.2° | 142.8° |
| C15 | C12 | C13 | H131 | 113.5° | 24.9° |
| C15 | C12 | C13 | H132 | 4.0° | 99.6° |
| C12 | C15 | O16 | N17 | 178.8° | 179.1° |
| C12 | C15 | N17 | C18 | 178.7° | 168.9° |
| C12 | C15 | N17 | H17 | 1.3° | 11.3° |
| H12 | C12 | C13 | O14 | 121.0° | 92.6° |
| H12 | C12 | C13 | H131 | 4.3° | 149.5° |
| H12 | C12 | C13 | H132 | 113.8° | 25.0° |
| H12 | C12 | C15 | O16 | 69.7° | 108.4° |
| H12 | C12 | C15 | N17 | 108.8° | 72.6° |
| O14 | C13 | H131 | H132 | 120.2° | 124.4° |
| O16 | C15 | N17 | C18 | 0.1° | 10.1° |
| O16 | C15 | N17 | H17 | 179.9° | 169.6° |
| C15 | N17 | C18 | H17 | 180.0° | 179.7° |
| C15 | N17 | C18 | C19 | 55.3° | 71.7° |
| C15 | N17 | C18 | C39 | 179.9° | 55.7° |
| C15 | N17 | C18 | H18 | 60.0° | 171.9° |
| N17 | C18 | C19 | C39 | 125.3° | 126.3° |
| N17 | C18 | C19 | H18 | 114.4° | 116.2° |
| N17 | C18 | C39 | H18 | 115.2° | 116.0° |
| N17 | C18 | C19 | O20 | 156.8° | 114.0° |
| N17 | C18 | C19 | O21 | 24.0° | 65.4° |
| N17 | C18 | C39 | C40 | 66.1° | 99.4° |
| N17 | C18 | C39 | H391 | 59.2° | 22.0° |
| N17 | C18 | C39 | H392 | 168.6° | 139.7° |
| H17 | N17 | C18 | C19 | 124.7° | 108.0° |
| H17 | N17 | C18 | C39 | 0.1° | 124.6° |
| H17 | N17 | C18 | H18 | 120.0° | 8.4° |
| C19 | C18 | C39 | H18 | 116.2° | 117.4° |
| C18 | C19 | O20 | O21 | 179.2° | 179.5° |
| C18 | C19 | O21 | C22 | 175.8° | 173.1° |
| C19 | C18 | C39 | C40 | 62.5° | 27.2° |
| C19 | C18 | C39 | H391 | 172.2° | 148.6° |
| C19 | C18 | C39 | H392 | 62.7° | 93.7° |
| C39 | C18 | C19 | O20 | 77.9° | 119.6° |
| C39 | C18 | C19 | O21 | 101.3° | 60.9° |
| C18 | C39 | C40 | H391 | 125.3° | 121.6° |
| C18 | C39 | C40 | H392 | 125.3° | 121.1° |
| C18 | C39 | H391 | H392 | 117.2° | 118.5° |
| C18 | C39 | C40 | C41 | 154.9° | 157.4° |
| C18 | C39 | C40 | H401 | 79.9° | 83.2° |
| C18 | C39 | C40 | H402 | 29.6° | 37.5° |
| H18 | C18 | C19 | O20 | 42.4° | 2.2° |
| H18 | C18 | C19 | O21 | 138.5° | 178.4° |
| H18 | C18 | C39 | C40 | 178.8° | 144.6° |
| H18 | C18 | C39 | H391 | 56.0° | 94.0° |
| H18 | C18 | C39 | H392 | 53.5° | 23.7° |
| O20 | C19 | O21 | C22 | 3.4° | 6.4° |
| C19 | O21 | C22 | C23 | 94.2° | 74.7° |
| C19 | O21 | C22 | C25 | 139.7° | 163.7° |
| C19 | O21 | C22 | H22 | 22.3° | 44.4° |
| O21 | C22 | C23 | C25 | 120.6° | 122.0° |
| O21 | C22 | C23 | H22 | 122.4° | 119.2° |
| O21 | C22 | C25 | H22 | 122.5° | 119.3° |
| O21 | C22 | C23 | H231 | 54.7° | 179.3° |
| O21 | C22 | C23 | H232 | 180.0° | 59.2° |
| O21 | C22 | C23 | H233 | 54.7° | 60.7° |
| O21 | C22 | C25 | C27 | 72.8° | 31.1° |
| O21 | C22 | C25 | H251 | 161.9° | 89.2° |
| O21 | C22 | C25 | H252 | 52.4° | 151.8° |
| C23 | C22 | C25 | H22 | 116.1° | 118.6° |
| C22 | C23 | H231 | H232 | 123.0° | 120.0° |
| C22 | C23 | H231 | H233 | 118.5° | 120.0° |
| C22 | C23 | H232 | H233 | 125.3° | 120.0° |
| C23 | C22 | C25 | C27 | 48.6° | 91.0° |
| C23 | C22 | C25 | H251 | 76.7° | 148.7° |
| C23 | C22 | C25 | H252 | 173.9° | 29.7° |
| C25 | C22 | C23 | H231 | 65.9° | 58.7° |
| C25 | C22 | C23 | H232 | 59.3° | 178.7° |
| C25 | C22 | C23 | H233 | 175.4° | 61.3° |
| C22 | C25 | C27 | H251 | 125.3° | 120.2° |
| C22 | C25 | C27 | H252 | 125.3° | 120.8° |
| C22 | C25 | H251 | H252 | 114.9° | 119.4° |
| C22 | C25 | C27 | O28 | 148.2° | 39.9° |
| C22 | C25 | C27 | N29 | 32.4° | 159.5° |
| C22 | C25 | C27 | H27 | 143.6° | 79.4° |
| H22 | C22 | C23 | H231 | 177.2° | 60.0° |
| H22 | C22 | C23 | H232 | 57.6° | 60.0° |
| H22 | C22 | C23 | H233 | 67.7° | 180.0° |
| H22 | C22 | C25 | C27 | 164.7° | 150.4° |
| H22 | C22 | C25 | H251 | 39.4° | 30.1° |
| H22 | C22 | C25 | H252 | 70.0° | 88.9° |
| H231 | C23 | H232 | H233 | 109.5° | 119.9° |
| C27 | C25 | H251 | H252 | 114.9° | 119.3° |
| C25 | C27 | O28 | N29 | 179.4° | 120.6° |
| C25 | C27 | O28 | H27 | 4.4° | 119.5° |
| C25 | C27 | N29 | H27 | 60.3° | 120.6° |
| C25 | C27 | O28 | H28 | 180.0° | 66.9° |
| C25 | C27 | N29 | C30 | 164.1° | 74.7° |
| C25 | C27 | N29 | H29 | 38.9° | 61.0° |
| H251 | C25 | C27 | O28 | 23.0° | 160.1° |
| H251 | C25 | C27 | N29 | 157.7° | 80.3° |
| H251 | C25 | C27 | H27 | 18.4° | 40.8° |
| H252 | C25 | C27 | O28 | 86.5° | 80.9° |
| H252 | C25 | C27 | N29 | 92.9° | 38.7° |
| H252 | C25 | C27 | H27 | 91.1° | 159.8° |
| O28 | C27 | N29 | H27 | 120.3° | 119.2° |
| O28 | C27 | N29 | C30 | 15.4° | 165.1° |
| O28 | C27 | N29 | H29 | 140.6° | 59.3° |
| N29 | C27 | O28 | H28 | 0.6° | 53.7° |
| C27 | N29 | C30 | H29 | 125.3° | 135.1° |
| C27 | N29 | C30 | C31 | 111.6° | 166.1° |
| C27 | N29 | C30 | C37 | 136.5° | 74.6° |
| C27 | N29 | C30 | H30 | 11.9° | 46.0° |
| H27 | C27 | O28 | H28 | 175.6° | 173.6° |
| H27 | C27 | N29 | C30 | 135.6° | 45.9° |
| H27 | C27 | N29 | H29 | 99.1° | 178.4° |
| N29 | C30 | C31 | C37 | 114.8° | 122.1° |
| N29 | C30 | C31 | H30 | 121.0° | 121.6° |
| N29 | C30 | C37 | H30 | 120.7° | 122.3° |
| N29 | C30 | C31 | C32 | 168.7° | 41.0° |
| N29 | C30 | C31 | H311 | 66.0° | 161.9° |
| N29 | C30 | C31 | H312 | 43.5° | 79.4° |
| N29 | C30 | C37 | N35 | 163.3° | 48.9° |
| N29 | C30 | C37 | O38 | 19.9° | 131.4° |
| H29 | N29 | C30 | C31 | 123.1° | 31.0° |
| H29 | N29 | C30 | C37 | 11.2° | 150.2° |
| H29 | N29 | C30 | H30 | 113.4° | 89.1° |
| C31 | C30 | C37 | H30 | 122.8° | 116.4° |
| C30 | C31 | C32 | H311 | 125.2° | 120.6° |
| C30 | C31 | C32 | H312 | 125.2° | 120.1° |
| C30 | C31 | H311 | H312 | 115.4° | 118.4° |
| C30 | C31 | C32 | C33 | 42.0° | 62.5° |
| C30 | C31 | C32 | H321 | 167.3° | 175.0° |
| C30 | C31 | C32 | H322 | 83.2° | 60.0° |
| C31 | C30 | C37 | N35 | 80.2° | 72.4° |
| C31 | C30 | C37 | O38 | 96.5° | 107.3° |
| C37 | C30 | C31 | C32 | 76.5° | 81.1° |
| C37 | C30 | C31 | H311 | 48.8° | 39.8° |
| C37 | C30 | C31 | H312 | 158.3° | 158.5° |
| C30 | C37 | N35 | C34 | 2.6° | 1.3° |
| C30 | C37 | N35 | O36 | 176.8° | 179.6° |
| C30 | C37 | N35 | O38 | 176.9° | 179.7° |
| H30 | C30 | C31 | C32 | 47.7° | 162.6° |
| H30 | C30 | C31 | H311 | 173.0° | 76.5° |
| H30 | C30 | C31 | H312 | 77.5° | 42.2° |
| H30 | C30 | C37 | N35 | 42.6° | 171.2° |
| H30 | C30 | C37 | O38 | 140.7° | 9.1° |
| C32 | C31 | H311 | H312 | 115.4° | 119.4° |
| C31 | C32 | C33 | H321 | 125.2° | 122.6° |
| C31 | C32 | C33 | H322 | 125.2° | 122.6° |
| C31 | C32 | H321 | H322 | 114.5° | 115.8° |
| C31 | C32 | C33 | C34 | 41.9° | 62.7° |
| C31 | C32 | C33 | H331 | 83.4° | 58.0° |
| C31 | C32 | C33 | H332 | 167.1° | 176.9° |
| H311 | C31 | C32 | C33 | 83.2° | 58.1° |
| H311 | C31 | C32 | H321 | 42.0° | 64.4° |
| H311 | C31 | C32 | H322 | 151.5° | 179.4° |
| H312 | C31 | C32 | C33 | 167.3° | 177.4° |
| H312 | C31 | C32 | H321 | 67.5° | 54.9° |
| H312 | C31 | C32 | H322 | 42.0° | 60.0° |
| C33 | C32 | H321 | H322 | 114.5° | 115.5° |
| C32 | C33 | C34 | H331 | 125.3° | 120.8° |
| C32 | C33 | C34 | H332 | 125.3° | 120.5° |
| C32 | C33 | H331 | H332 | 116.6° | 119.0° |
| C32 | C33 | C34 | N35 | 79.2° | 82.3° |
| C32 | C33 | C34 | H341 | 155.6° | 159.1° |
| C32 | C33 | C34 | H342 | 46.1° | 38.4° |
| H321 | C32 | C33 | C34 | 167.2° | 174.7° |
| H321 | C32 | C33 | H331 | 41.9° | 64.6° |
| H321 | C32 | C33 | H332 | 67.6° | 54.3° |
| H322 | C32 | C33 | C34 | 83.3° | 59.9° |
| H322 | C32 | C33 | H331 | 151.4° | 179.4° |
| H322 | C32 | C33 | H332 | 41.9° | 60.5° |
| C34 | C33 | H331 | H332 | 116.5° | 118.6° |
| C33 | C34 | N35 | H341 | 125.3° | 118.7° |
| C33 | C34 | N35 | H342 | 125.3° | 120.6° |
| C33 | C34 | H341 | H342 | 119.9° | 121.1° |
| C33 | C34 | N35 | O36 | 95.1° | 108.0° |
| C33 | C34 | N35 | C37 | 79.6° | 71.1° |
| H331 | C33 | C34 | N35 | 46.1° | 38.5° |
| H331 | C33 | C34 | H341 | 79.2° | 80.1° |
| H331 | C33 | C34 | H342 | 171.4° | 159.2° |
| H332 | C33 | C34 | N35 | 155.6° | 157.2° |
| H332 | C33 | C34 | H341 | 30.3° | 38.6° |
| H332 | C33 | C34 | H342 | 79.2° | 82.1° |
| N35 | C34 | H341 | H342 | 119.8° | 121.1° |
| C34 | N35 | O36 | C37 | 174.5° | 179.1° |
| C34 | N35 | C37 | O38 | 174.3° | 178.5° |
| H341 | C34 | N35 | O36 | 30.2° | 10.7° |
| H341 | C34 | N35 | C37 | 155.1° | 170.2° |
| H342 | C34 | N35 | O36 | 139.7° | 131.4° |
| H342 | C34 | N35 | C37 | 45.7° | 49.5° |
| O36 | N35 | C37 | O38 | 0.1° | 0.6° |
| C40 | C39 | H391 | H392 | 117.2° | 117.9° |
| C39 | C40 | C41 | H401 | 125.3° | 119.8° |
| C39 | C40 | C41 | H402 | 125.2° | 120.7° |
| C39 | C40 | H401 | H402 | 118.6° | 121.2° |
| C39 | C40 | C41 | C42 | 69.0° | 140.0° |
| C39 | C40 | C41 | H411 | 56.3° | 20.1° |
| C39 | C40 | C41 | H412 | 165.7° | 99.9° |
| H391 | C39 | C40 | C41 | 29.6° | 35.8° |
| H391 | C39 | C40 | H401 | 154.9° | 155.3° |
| H391 | C39 | C40 | H402 | 95.7° | 84.0° |
| H392 | C39 | C40 | C41 | 79.9° | 81.5° |
| H392 | C39 | C40 | H401 | 45.4° | 38.0° |
| H392 | C39 | C40 | H402 | 154.9° | 158.7° |
| C41 | C40 | H401 | H402 | 118.7° | 119.1° |
| C40 | C41 | C42 | H411 | 125.3° | 119.9° |
| C40 | C41 | C42 | H412 | 125.2° | 120.0° |
| C40 | C41 | H411 | H412 | 117.2° | 119.9° |
| C40 | C41 | C42 | N43 | 52.0° | 74.6° |
| C40 | C41 | C42 | H421 | 73.2° | 162.1° |
| C40 | C41 | C42 | H422 | 177.3° | 42.4° |
| H401 | C40 | C41 | C42 | 165.7° | 100.1° |
| H401 | C40 | C41 | H411 | 69.0° | 140.0° |
| H401 | C40 | C41 | H412 | 40.5° | 20.0° |
| H402 | C40 | C41 | C42 | 56.2° | 19.4° |
| H402 | C40 | C41 | H411 | 178.5° | 100.5° |
| H402 | C40 | C41 | H412 | 69.0° | 139.4° |
| C42 | C41 | H411 | H412 | 117.3° | 120.0° |
| C41 | C42 | N43 | H421 | 125.3° | 122.3° |
| C41 | C42 | N43 | H422 | 125.3° | 118.3° |
| C41 | C42 | H421 | H422 | 118.3° | 119.5° |
| C41 | C42 | N43 | O44 | 97.9° | 157.0° |
| C41 | C42 | N43 | C45 | 82.0° | 91.2° |
| H411 | C41 | C42 | N43 | 177.3° | 45.4° |
| H411 | C41 | C42 | H421 | 52.1° | 77.9° |
| H411 | C41 | C42 | H422 | 57.4° | 162.3° |
| H412 | C41 | C42 | N43 | 73.2° | 165.4° |
| H412 | C41 | C42 | H421 | 161.5° | 42.1° |
| H412 | C41 | C42 | H422 | 52.0° | 77.7° |
| N43 | C42 | H421 | H422 | 118.2° | 117.8° |
| C42 | N43 | O44 | C45 | 179.9° | 119.1° |
| C42 | N43 | C45 | O46 | 179.1° | 177.7° |
| C42 | N43 | C45 | C47 | 0.8° | 61.6° |
| C42 | N43 | C45 | H45 | 166.2° | 62.9° |
| H421 | C42 | N43 | O44 | 27.4° | 80.7° |
| H421 | C42 | N43 | C45 | 152.7° | 31.1° |
| H422 | C42 | N43 | O44 | 136.8° | 38.7° |
| H422 | C42 | N43 | C45 | 43.3° | 150.5° |
| O44 | N43 | C45 | O46 | 0.8° | 59.8° |
| O44 | N43 | C45 | C47 | 179.3° | 56.3° |
| O44 | N43 | C45 | H45 | 13.9° | 179.3° |
| N43 | C45 | O46 | C47 | 179.8° | 117.5° |
| N43 | C45 | O46 | H45 | 172.9° | 118.4° |
| N43 | C45 | C47 | H45 | 175.2° | 123.1° |
| N43 | C45 | C47 | C48 | 168.1° | 134.9° |
| N43 | C45 | C47 | H47 | 11.9° | 45.2° |
| O46 | C45 | C47 | H45 | 4.9° | 123.7° |
| O46 | C45 | C47 | C48 | 11.7° | 112.0° |
| O46 | C45 | C47 | H47 | 168.3° | 68.0° |
| C45 | C47 | C48 | H47 | 180.0° | 179.9° |
| C45 | C47 | C48 | C49 | 0.2° | 6.5° |
| C45 | C47 | C48 | H48 | 179.8° | 173.5° |
| H45 | C45 | C47 | C48 | 16.6° | 11.7° |
| H45 | C45 | C47 | H47 | 163.3° | 168.3° |
| C47 | C48 | C49 | H48 | 180.0° | 179.9° |
| C47 | C48 | C49 | C50 | 100.8° | 126.8° |
| C47 | C48 | C49 | H491 | 133.9° | 113.1° |
| C47 | C48 | C49 | H492 | 24.4° | 6.9° |
| H47 | C47 | C48 | C49 | 179.9° | 173.5° |
| H47 | C47 | C48 | H48 | 0.1° | 6.6° |
| C48 | C49 | C50 | H491 | 125.2° | 120.0° |
| C48 | C49 | C50 | H492 | 125.2° | 119.9° |
| C48 | C49 | H491 | H492 | 119.3° | 120.0° |
| C48 | C49 | C50 | C51 | 168.0° | 180.0° |
| C48 | C49 | C50 | H501 | 66.7° | 59.9° |
| C48 | C49 | C50 | H502 | 42.7° | 60.0° |
| H48 | C48 | C49 | C50 | 79.1° | 53.2° |
| H48 | C48 | C49 | H491 | 46.1° | 66.8° |
| H48 | C48 | C49 | H492 | 155.6° | 173.2° |
| C50 | C49 | H491 | H492 | 119.3° | 120.0° |
| C49 | C50 | C51 | H501 | 125.3° | 120.1° |
| C49 | C50 | C51 | H502 | 125.3° | 120.0° |
| C49 | C50 | H501 | H502 | 116.5° | 120.0° |
| C49 | C50 | C51 | C52 | 115.8° | 180.0° |
| C49 | C50 | C51 | H511 | 118.9° | 60.0° |
| C49 | C50 | C51 | H512 | 9.5° | 60.0° |
| H491 | C49 | C50 | C51 | 42.8° | 60.0° |
| H491 | C49 | C50 | H501 | 168.0° | 180.0° |
| H491 | C49 | C50 | H502 | 82.5° | 60.0° |
| H492 | C49 | C50 | C51 | 66.8° | 60.0° |
| H492 | C49 | C50 | H501 | 58.5° | 60.0° |
| H492 | C49 | C50 | H502 | 168.0° | 180.0° |
| C51 | C50 | H501 | H502 | 116.5° | 120.0° |
| C50 | C51 | C52 | H511 | 125.3° | 120.0° |
| C50 | C51 | C52 | H512 | 125.3° | 120.0° |
| C50 | C51 | H511 | H512 | 109.2° | 120.0° |
| C50 | C51 | C52 | C53 | 36.7° | 180.0° |
| C50 | C51 | C52 | H521 | 88.6° | 60.0° |
| C50 | C51 | C52 | H522 | 161.9° | 60.0° |
| H501 | C50 | C51 | C52 | 9.5° | 60.0° |
| H501 | C50 | C51 | H511 | 115.8° | 180.0° |
| H501 | C50 | C51 | H512 | 134.8° | 60.0° |
| H502 | C50 | C51 | C52 | 118.9° | 60.0° |
| H502 | C50 | C51 | H511 | 6.3° | 60.0° |
| H502 | C50 | C51 | H512 | 115.8° | 180.0° |
| C52 | C51 | H511 | H512 | 109.2° | 120.0° |
| C51 | C52 | C53 | H521 | 125.3° | 120.0° |
| C51 | C52 | C53 | H522 | 125.3° | 120.1° |
| C51 | C52 | H521 | H522 | 104.6° | 120.0° |
| C51 | C52 | C53 | C54 | 160.1° | 180.0° |
| C51 | C52 | C53 | H531 | 34.8° | 60.0° |
| C51 | C52 | C53 | H532 | 74.7° | 60.0° |
| H511 | C51 | C52 | C53 | 162.0° | 60.0° |
| H511 | C51 | C52 | H521 | 36.7° | NaN° |
| H511 | C51 | C52 | H522 | 72.8° | 60.0° |
| H512 | C51 | C52 | C53 | 88.6° | 60.0° |
| H512 | C51 | C52 | H521 | 146.1° | 60.0° |
| H512 | C51 | C52 | H522 | 36.7° | 179.9° |
| C53 | C52 | H521 | H522 | 104.6° | 120.0° |
| C52 | C53 | C54 | H531 | 125.2° | 120.0° |
| C52 | C53 | C54 | H532 | 125.3° | 120.0° |
| C52 | C53 | H531 | H532 | 97.4° | 120.0° |
| C52 | C53 | C54 | C55 | 97.2° | 180.0° |
| C52 | C53 | C54 | H541 | 137.5° | 60.0° |
| C52 | C53 | C54 | H542 | 28.0° | 60.0° |
| H521 | C52 | C53 | C54 | 74.7° | 60.0° |
| H521 | C52 | C53 | H531 | 160.1° | 180.0° |
| H521 | C52 | C53 | H532 | 50.6° | 60.0° |
| H522 | C52 | C53 | C54 | 34.8° | 60.0° |
| H522 | C52 | C53 | H531 | 90.4° | 60.0° |
| H522 | C52 | C53 | H532 | 160.1° | 179.9° |
| C54 | C53 | H531 | H532 | 97.4° | 120.0° |
| C53 | C54 | C55 | H541 | 125.3° | 120.0° |
| C53 | C54 | C55 | H542 | 125.3° | 120.0° |
| C53 | C54 | H541 | H542 | 107.3° | 120.0° |
| C53 | C54 | C55 | O56 | 111.9° | 179.9° |
| C53 | C54 | C55 | O57 | 66.8° | 0.0° |
| H531 | C53 | C54 | C55 | 28.0° | 60.0° |
| H531 | C53 | C54 | H541 | 97.3° | 179.9° |
| H531 | C53 | C54 | H542 | 153.3° | 60.0° |
| H532 | C53 | C54 | C55 | 137.5° | 60.0° |
| H532 | C53 | C54 | H541 | 12.2° | 60.0° |
| H532 | C53 | C54 | H542 | 97.3° | 180.0° |
| C55 | C54 | H541 | H542 | 107.3° | 120.0° |
| C54 | C55 | O56 | O57 | 178.6° | 179.9° |
| C54 | C55 | O56 | H56 | 180.0° | 180.0° |
| H541 | C54 | C55 | O56 | 122.8° | 60.1° |
| H541 | C54 | C55 | O57 | 58.5° | 120.1° |
| H542 | C54 | C55 | O56 | 13.4° | 60.0° |
| H542 | C54 | C55 | O57 | 167.9° | 119.9° |
| O57 | C55 | O56 | H56 | 1.4° | 0.1° |
