BE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.47Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.49Å | Aromatic |
| C01 | C23 | sing | 1.51Å | 1.54Å | |
| C02 | C03 | sing | 1.38Å | 1.45Å | Aromatic |
| C02 | H02 | sing | 1.08Å | 1.10Å | |
| C03 | C04 | doub | 1.38Å | 1.47Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.10Å | |
| C04 | C05 | sing | 1.38Å | 1.48Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.10Å | |
| C05 | C06 | doub | 1.39Å | 1.46Å | Aromatic |
| C05 | F50 | sing | 1.35Å | 1.47Å | |
| C06 | F51 | sing | 1.35Å | 1.52Å | |
| C07 | C08 | doub | 1.38Å | 1.48Å | Aromatic |
| C07 | C12 | sing | 1.38Å | 1.46Å | Aromatic |
| C07 | C13 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | sing | 1.39Å | 1.49Å | Aromatic |
| C08 | F52 | sing | 1.35Å | 1.49Å | |
| C09 | C10 | doub | 1.38Å | 1.50Å | Aromatic |
| C09 | F49 | sing | 1.35Å | 1.46Å | |
| C10 | C11 | sing | 1.38Å | 1.49Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | O14 | sing | 1.43Å | 1.46Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| O14 | C15 | sing | 1.43Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | C26 | sing | 1.51Å | 1.48Å | |
| C15 | H15 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.46Å | |
| C16 | O25 | sing | 1.43Å | 1.49Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.59Å | |
| C17 | O24 | sing | 1.43Å | 1.45Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | O22 | sing | 1.43Å | 1.49Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C19 | O20 | doub | 1.21Å | 1.26Å | |
| C19 | N21 | sing | 1.35Å | 1.37Å | |
| N21 | C39 | sing | 1.46Å | 1.44Å | |
| N21 | H21 | sing | 0.97Å | 1.02Å | |
| O22 | C23 | sing | 1.43Å | 1.46Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C26 | O27 | doub | 1.21Å | 1.26Å | |
| C26 | N28 | sing | 1.35Å | 1.36Å | |
| N28 | C29 | sing | 1.46Å | 1.45Å | |
| N28 | H28 | sing | 0.97Å | 1.02Å | |
| C29 | C30 | sing | 1.52Å | 1.50Å | |
| C29 | C35 | sing | 1.54Å | 1.55Å | |
| C29 | H29 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | doub | 1.38Å | 1.47Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.48Å | Aromatic |
| C31 | C37 | sing | 1.38Å | 1.47Å | Aromatic |
| C31 | C38 | sing | 1.51Å | 1.48Å | |
| C32 | C33 | doub | 1.38Å | 1.50Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.47Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C37 | doub | 1.38Å | 1.48Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | O36 | sing | 1.43Å | 1.45Å | |
| C35 | C38 | sing | 1.54Å | 1.56Å | |
| C35 | H35 | sing | 1.09Å | 1.11Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å | |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C39 | C45 | sing | 1.54Å | 1.55Å | |
| C39 | H39 | sing | 1.09Å | 1.12Å | |
| C40 | C41 | doub | 1.38Å | 1.45Å | Aromatic |
| C40 | C42 | sing | 1.38Å | 1.47Å | Aromatic |
| C41 | C47 | sing | 1.39Å | 1.48Å | Aromatic |
| C41 | C48 | sing | 1.51Å | 1.50Å | |
| C42 | C43 | doub | 1.38Å | 1.49Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | sing | 1.38Å | 1.47Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| C44 | C47 | doub | 1.38Å | 1.46Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C45 | O46 | sing | 1.43Å | 1.45Å | |
| C45 | C48 | sing | 1.54Å | 1.54Å | |
| C45 | H45 | sing | 1.09Å | 1.11Å | |
| O46 | H46 | sing | 0.97Å | 0.95Å | |
| C47 | H47 | sing | 1.08Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 116.7° | 120.0° |
| C02 | C01 | C23 | 117.2° | 120.0° |
| C01 | C02 | C03 | 122.2° | 120.1° |
| C01 | C02 | H02 | 118.9° | 119.9° |
| C06 | C01 | C23 | 126.2° | 120.0° |
| C01 | C06 | C05 | 121.7° | 119.9° |
| C01 | C06 | F51 | 116.7° | 120.0° |
| C01 | C23 | O22 | 108.9° | 109.5° |
| C01 | C23 | H231 | 112.4° | 109.5° |
| C01 | C23 | H232 | 112.4° | 109.4° |
| C03 | C02 | H02 | 118.9° | 120.0° |
| C02 | C03 | C04 | 120.4° | 120.1° |
| C02 | C03 | H03 | 119.8° | 120.0° |
| C04 | C03 | H03 | 119.8° | 119.9° |
| C03 | C04 | C05 | 119.0° | 120.0° |
| C03 | C04 | H04 | 120.5° | 120.0° |
| C05 | C04 | H04 | 120.5° | 120.0° |
| C04 | C05 | C06 | 120.0° | 119.9° |
| C04 | C05 | F50 | 120.1° | 120.0° |
| C06 | C05 | F50 | 119.9° | 120.0° |
| C05 | C06 | F51 | 121.6° | 120.0° |
| C08 | C07 | C12 | 119.6° | 120.0° |
| C08 | C07 | C13 | 123.1° | 120.0° |
| C07 | C08 | C09 | 119.9° | 119.9° |
| C07 | C08 | F52 | 120.0° | 120.0° |
| C12 | C07 | C13 | 117.2° | 119.9° |
| C07 | C12 | C11 | 122.0° | 120.0° |
| C07 | C12 | H12 | 119.0° | 120.0° |
| C07 | C13 | O14 | 110.3° | 109.5° |
| C07 | C13 | H131 | 111.9° | 109.5° |
| C07 | C13 | H132 | 111.9° | 109.4° |
| C09 | C08 | F52 | 120.1° | 120.1° |
| C08 | C09 | C10 | 119.5° | 119.9° |
| C08 | C09 | F49 | 119.8° | 120.0° |
| C10 | C09 | F49 | 120.7° | 120.1° |
| C09 | C10 | C11 | 118.8° | 120.0° |
| C09 | C10 | H10 | 120.6° | 120.0° |
| C11 | C10 | H10 | 120.6° | 120.0° |
| C10 | C11 | C12 | 120.3° | 120.1° |
| C10 | C11 | H11 | 119.9° | 120.0° |
| C12 | C11 | H11 | 119.9° | 119.9° |
| C11 | C12 | H12 | 119.0° | 120.0° |
| O14 | C13 | H131 | 111.9° | 109.5° |
| O14 | C13 | H132 | 111.9° | 109.4° |
| C13 | O14 | C15 | 120.4° | 106.8° |
| H131 | C13 | H132 | 98.5° | 109.5° |
| O14 | C15 | C16 | 113.1° | 109.5° |
| O14 | C15 | C26 | 111.1° | 109.4° |
| O14 | C15 | H15 | 109.1° | 109.5° |
| C16 | C15 | C26 | 105.3° | 109.5° |
| C16 | C15 | H15 | 109.1° | 109.5° |
| C15 | C16 | C17 | 111.6° | 109.5° |
| C15 | C16 | O25 | 107.6° | 109.5° |
| C15 | C16 | H16 | 109.6° | 109.5° |
| C26 | C15 | H15 | 109.0° | 109.4° |
| C15 | C26 | O27 | 119.7° | 120.0° |
| C15 | C26 | N28 | 118.9° | 120.0° |
| C17 | C16 | O25 | 108.9° | 109.5° |
| C17 | C16 | H16 | 109.6° | 109.5° |
| C16 | C17 | C18 | 107.6° | 109.5° |
| C16 | C17 | O24 | 109.2° | 109.5° |
| C16 | C17 | H17 | 109.7° | 109.5° |
| O25 | C16 | H16 | 109.6° | 109.4° |
| C16 | O25 | H25 | 107.6° | 106.8° |
| C18 | C17 | O24 | 111.0° | 109.5° |
| C18 | C17 | H17 | 109.7° | 109.5° |
| C17 | C18 | C19 | 111.8° | 109.4° |
| C17 | C18 | O22 | 112.4° | 109.5° |
| C17 | C18 | H18 | 107.9° | 109.5° |
| O24 | C17 | H17 | 109.7° | 109.4° |
| C17 | O24 | H24 | 109.2° | 106.8° |
| C19 | C18 | O22 | 108.7° | 109.5° |
| C19 | C18 | H18 | 107.9° | 109.4° |
| C18 | C19 | O20 | 121.0° | 120.0° |
| C18 | C19 | N21 | 117.7° | 120.0° |
| O22 | C18 | H18 | 107.9° | 109.5° |
| C18 | O22 | C23 | 120.3° | 106.8° |
| O20 | C19 | N21 | 121.2° | 120.0° |
| C19 | N21 | C39 | 123.4° | 120.0° |
| C19 | N21 | H21 | 118.3° | 120.0° |
| C39 | N21 | H21 | 118.3° | 120.0° |
| N21 | C39 | C40 | 111.9° | 110.3° |
| N21 | C39 | C45 | 112.0° | 110.3° |
| N21 | C39 | H39 | 110.4° | 110.3° |
| O22 | C23 | H231 | 112.4° | 109.4° |
| O22 | C23 | H232 | 112.4° | 109.5° |
| H231 | C23 | H232 | 98.0° | 109.5° |
| O27 | C26 | N28 | 121.4° | 120.0° |
| C26 | N28 | C29 | 121.4° | 120.0° |
| C26 | N28 | H28 | 119.3° | 120.0° |
| C29 | N28 | H28 | 119.3° | 120.0° |
| N28 | C29 | C30 | 109.7° | 110.3° |
| N28 | C29 | C35 | 117.6° | 110.5° |
| N28 | C29 | H29 | 109.6° | 110.3° |
| C30 | C29 | C35 | 100.2° | 104.9° |
| C30 | C29 | H29 | 109.6° | 110.3° |
| C29 | C30 | C31 | 109.6° | 109.9° |
| C29 | C30 | C32 | 130.0° | 130.3° |
| C35 | C29 | H29 | 109.6° | 110.4° |
| C29 | C35 | O36 | 107.0° | 110.8° |
| C29 | C35 | C38 | 103.8° | 102.6° |
| C29 | C35 | H35 | 110.4° | 110.8° |
| C31 | C30 | C32 | 120.4° | 119.8° |
| C30 | C31 | C37 | 121.3° | 119.9° |
| C30 | C31 | C38 | 109.0° | 109.7° |
| C30 | C32 | C33 | 119.0° | 120.2° |
| C30 | C32 | H32 | 120.5° | 119.8° |
| C37 | C31 | C38 | 129.8° | 130.4° |
| C31 | C37 | C34 | 118.4° | 120.2° |
| C31 | C37 | H37 | 120.8° | 119.9° |
| C31 | C38 | C35 | 101.0° | 105.2° |
| C31 | C38 | H381 | 115.4° | 110.3° |
| C31 | C38 | H382 | 115.5° | 110.3° |
| C33 | C32 | H32 | 120.5° | 119.9° |
| C32 | C33 | C34 | 119.2° | 120.0° |
| C32 | C33 | H33 | 120.4° | 120.1° |
| C34 | C33 | H33 | 120.4° | 120.0° |
| C33 | C34 | C37 | 121.8° | 119.9° |
| C33 | C34 | H34 | 119.1° | 120.1° |
| C37 | C34 | H34 | 119.1° | 120.0° |
| C34 | C37 | H37 | 120.8° | 119.9° |
| O36 | C35 | C38 | 114.5° | 110.8° |
| O36 | C35 | H35 | 110.4° | 110.7° |
| C35 | O36 | H36 | 107.0° | 106.8° |
| C38 | C35 | H35 | 110.4° | 110.8° |
| C35 | C38 | H381 | 115.5° | 110.3° |
| C35 | C38 | H382 | 115.4° | 110.3° |
| H381 | C38 | H382 | 95.0° | 110.3° |
| C40 | C39 | C45 | 101.5° | 105.3° |
| C40 | C39 | H39 | 110.3° | 110.3° |
| C39 | C40 | C41 | 109.7° | 109.7° |
| C39 | C40 | C42 | 129.9° | 130.5° |
| C45 | C39 | H39 | 110.4° | 110.3° |
| C39 | C45 | O46 | 107.7° | 110.8° |
| C39 | C45 | C48 | 104.4° | 102.4° |
| C39 | C45 | H45 | 110.3° | 110.8° |
| C41 | C40 | C42 | 120.3° | 119.8° |
| C40 | C41 | C47 | 121.7° | 119.8° |
| C40 | C41 | C48 | 108.5° | 109.8° |
| C40 | C42 | C43 | 119.1° | 120.3° |
| C40 | C42 | H42 | 120.5° | 119.9° |
| C47 | C41 | C48 | 129.8° | 130.4° |
| C41 | C47 | C44 | 117.6° | 120.2° |
| C41 | C47 | H47 | 121.2° | 119.9° |
| C41 | C48 | C45 | 103.5° | 105.2° |
| C41 | C48 | H481 | 114.5° | 110.3° |
| C41 | C48 | H482 | 114.5° | 110.3° |
| C43 | C42 | H42 | 120.4° | 119.9° |
| C42 | C43 | C44 | 118.9° | 120.0° |
| C42 | C43 | H43 | 120.6° | 120.1° |
| C44 | C43 | H43 | 120.5° | 120.0° |
| C43 | C44 | C47 | 122.3° | 119.9° |
| C43 | C44 | H44 | 118.8° | 120.1° |
| C47 | C44 | H44 | 118.8° | 120.0° |
| C44 | C47 | H47 | 121.2° | 119.9° |
| O46 | C45 | C48 | 113.7° | 111.0° |
| O46 | C45 | H45 | 110.3° | 110.8° |
| C45 | O46 | H46 | 107.6° | 106.8° |
| C48 | C45 | H45 | 110.3° | 110.8° |
| C45 | C48 | H481 | 114.5° | 110.3° |
| C45 | C48 | H482 | 114.5° | 110.3° |
| H481 | C48 | H482 | 95.9° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C23 | 179.6° | 179.7° |
| C01 | C02 | C03 | H02 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.1° | 0.1° |
| C01 | C02 | C03 | H03 | 179.9° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.6° |
| C02 | C01 | C06 | F51 | 179.7° | 180.0° |
| C02 | C01 | C23 | O22 | 121.3° | 0.0° |
| C02 | C01 | C23 | H231 | 4.0° | 120.0° |
| C02 | C01 | C23 | H232 | 113.4° | 120.0° |
| C06 | C01 | C02 | C03 | 0.2° | 0.4° |
| C06 | C01 | C02 | H02 | 179.8° | 179.7° |
| C01 | C06 | C05 | C04 | 0.0° | 0.6° |
| C01 | C06 | C05 | F51 | 179.8° | 179.4° |
| C01 | C06 | C05 | F50 | 179.9° | 179.7° |
| C06 | C01 | C23 | O22 | 58.3° | 179.7° |
| C06 | C01 | C23 | H231 | 176.4° | 59.7° |
| C06 | C01 | C23 | H232 | 67.0° | 60.3° |
| C23 | C01 | C02 | C03 | 179.8° | 180.0° |
| C23 | C01 | C02 | H02 | 0.1° | 0.0° |
| C23 | C01 | C06 | C05 | 179.7° | 179.7° |
| C23 | C01 | C06 | F51 | 0.1° | 0.3° |
| C01 | C23 | O22 | C18 | 75.6° | 180.0° |
| C01 | C23 | O22 | H231 | 125.3° | 120.0° |
| C01 | C23 | O22 | H232 | 125.3° | 120.0° |
| C01 | C23 | H231 | H232 | 118.3° | 119.9° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | H04 | 180.0° | 180.0° |
| H02 | C02 | C03 | C04 | 179.8° | 180.0° |
| H02 | C02 | C03 | H03 | 0.1° | 0.0° |
| C03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.3° |
| C03 | C04 | C05 | F50 | 179.9° | 180.0° |
| H03 | C03 | C04 | C05 | 180.0° | 180.0° |
| H03 | C03 | C04 | H04 | 0.0° | 0.1° |
| C04 | C05 | C06 | F50 | 179.9° | 179.7° |
| C04 | C05 | C06 | F51 | 179.8° | 180.0° |
| H04 | C04 | C05 | C06 | 180.0° | 179.8° |
| H04 | C04 | C05 | F50 | 0.1° | 0.1° |
| F50 | C05 | C06 | F51 | 0.1° | 0.3° |
| C08 | C07 | C12 | C13 | 179.6° | 179.7° |
| C07 | C08 | C09 | F52 | 179.8° | 179.5° |
| C07 | C08 | C09 | C10 | 0.1° | 0.5° |
| C07 | C08 | C09 | F49 | 179.8° | 179.7° |
| C08 | C07 | C12 | C11 | 0.1° | 0.3° |
| C08 | C07 | C12 | H12 | 179.9° | 179.7° |
| C08 | C07 | C13 | O14 | 55.8° | 179.7° |
| C08 | C07 | C13 | H131 | 179.0° | 59.7° |
| C08 | C07 | C13 | H132 | 69.5° | 60.3° |
| C12 | C07 | C08 | C09 | 0.0° | 0.5° |
| C12 | C07 | C08 | F52 | 179.9° | 180.0° |
| C07 | C12 | C11 | C10 | 0.2° | 0.0° |
| C07 | C12 | C11 | H12 | 180.0° | 180.0° |
| C07 | C12 | C11 | H11 | 179.8° | 180.0° |
| C12 | C07 | C13 | O14 | 123.8° | 0.1° |
| C12 | C07 | C13 | H131 | 1.4° | 120.0° |
| C12 | C07 | C13 | H132 | 110.9° | 120.0° |
| C13 | C07 | C08 | C09 | 179.6° | 179.8° |
| C13 | C07 | C08 | F52 | 0.3° | 0.3° |
| C13 | C07 | C12 | C11 | 179.7° | 180.0° |
| C13 | C07 | C12 | H12 | 0.2° | 0.1° |
| C07 | C13 | O14 | H131 | 125.3° | 120.0° |
| C07 | C13 | O14 | H132 | 125.3° | 119.9° |
| C07 | C13 | H131 | H132 | 117.8° | 119.9° |
| C07 | C13 | O14 | C15 | 71.9° | 179.9° |
| C08 | C09 | C10 | F49 | 180.0° | 179.8° |
| C08 | C09 | C10 | C11 | 0.1° | 0.2° |
| C08 | C09 | C10 | H10 | 179.9° | 179.8° |
| F52 | C08 | C09 | C10 | 180.0° | 180.0° |
| F52 | C08 | C09 | F49 | 0.0° | 0.2° |
| C09 | C10 | C11 | H10 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C09 | C10 | C11 | H11 | 179.9° | 180.0° |
| F49 | C09 | C10 | C11 | 179.9° | 180.0° |
| F49 | C09 | C10 | H10 | 0.1° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| H10 | C10 | C11 | C12 | 180.0° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| O14 | C13 | H131 | H132 | 117.8° | 120.0° |
| C13 | O14 | C15 | C16 | 151.6° | 150.0° |
| C13 | O14 | C15 | C26 | 90.3° | 90.0° |
| C13 | O14 | C15 | H15 | 30.0° | 30.0° |
| H131 | C13 | O14 | C15 | 53.4° | 60.0° |
| H132 | C13 | O14 | C15 | 162.9° | 60.0° |
| O14 | C15 | C16 | C26 | 121.5° | 120.0° |
| O14 | C15 | C16 | H15 | 121.6° | 120.0° |
| O14 | C15 | C26 | H15 | 120.3° | 120.0° |
| O14 | C15 | C16 | C17 | 56.4° | 60.0° |
| O14 | C15 | C16 | O25 | 175.8° | 180.0° |
| O14 | C15 | C16 | H16 | 65.1° | 60.0° |
| O14 | C15 | C26 | O27 | 64.4° | 0.0° |
| O14 | C15 | C26 | N28 | 115.9° | 179.9° |
| C16 | C15 | C26 | H15 | 116.9° | 120.0° |
| C15 | C16 | C17 | O25 | 118.7° | 120.0° |
| C15 | C16 | C17 | H16 | 121.5° | 120.1° |
| C15 | C16 | O25 | H16 | 119.1° | 120.0° |
| C15 | C16 | C17 | C18 | 166.6° | 180.0° |
| C15 | C16 | C17 | O24 | 72.9° | 60.0° |
| C15 | C16 | C17 | H17 | 47.4° | 60.0° |
| C15 | C16 | O25 | H25 | 180.0° | 60.0° |
| C16 | C15 | C26 | O27 | 58.4° | 120.0° |
| C16 | C15 | C26 | N28 | 121.3° | 60.0° |
| C26 | C15 | C16 | C17 | 177.9° | 180.0° |
| C26 | C15 | C16 | O25 | 62.6° | 60.0° |
| C26 | C15 | C16 | H16 | 56.4° | 59.9° |
| C15 | C26 | O27 | N28 | 179.7° | 179.9° |
| C15 | C26 | N28 | C29 | 179.9° | 180.0° |
| C15 | C26 | N28 | H28 | 0.1° | 0.1° |
| H15 | C15 | C16 | C17 | 65.2° | 60.0° |
| H15 | C15 | C16 | O25 | 54.3° | 60.0° |
| H15 | C15 | C16 | H16 | 173.3° | 179.9° |
| H15 | C15 | C26 | O27 | 175.3° | 120.0° |
| H15 | C15 | C26 | N28 | 4.3° | 60.1° |
| C17 | C16 | O25 | H16 | 119.8° | 120.0° |
| C16 | C17 | C18 | O24 | 119.4° | 120.0° |
| C16 | C17 | C18 | H17 | 119.3° | 120.0° |
| C16 | C17 | O24 | H17 | 120.2° | 120.0° |
| C16 | C17 | C18 | C19 | 94.0° | 180.0° |
| C16 | C17 | C18 | O22 | 28.5° | 60.0° |
| C16 | C17 | C18 | H18 | 147.4° | 60.0° |
| C16 | C17 | O24 | H24 | 180.0° | 60.0° |
| C17 | C16 | O25 | H25 | 58.9° | 60.0° |
| O25 | C16 | C17 | C18 | 74.7° | 60.0° |
| O25 | C16 | C17 | O24 | 45.8° | 60.0° |
| O25 | C16 | C17 | H17 | 166.0° | 180.0° |
| H16 | C16 | C17 | C18 | 45.1° | 59.9° |
| H16 | C16 | C17 | O24 | 165.6° | 179.9° |
| H16 | C16 | C17 | H17 | 74.1° | 60.1° |
| H16 | C16 | O25 | H25 | 60.9° | 180.0° |
| C18 | C17 | O24 | H17 | 121.3° | 120.0° |
| C17 | C18 | C19 | O22 | 124.6° | 120.0° |
| C17 | C18 | C19 | H18 | 118.6° | 120.0° |
| C17 | C18 | O22 | H18 | 118.9° | 120.0° |
| C17 | C18 | C19 | O20 | 64.3° | 120.0° |
| C17 | C18 | C19 | N21 | 116.8° | 60.0° |
| C17 | C18 | O22 | C23 | 138.9° | 150.0° |
| C18 | C17 | O24 | H24 | 61.6° | 60.0° |
| O24 | C17 | C18 | C19 | 146.6° | 60.0° |
| O24 | C17 | C18 | O22 | 90.9° | 179.9° |
| O24 | C17 | C18 | H18 | 28.0° | 60.0° |
| H17 | C17 | C18 | C19 | 25.2° | 60.0° |
| H17 | C17 | C18 | O22 | 147.8° | 60.0° |
| H17 | C17 | C18 | H18 | 93.3° | 179.9° |
| H17 | C17 | O24 | H24 | 59.8° | 180.0° |
| C19 | C18 | O22 | H18 | 116.8° | 120.0° |
| C18 | C19 | O20 | N21 | 178.9° | 179.9° |
| C18 | C19 | N21 | C39 | 179.3° | 180.0° |
| C18 | C19 | N21 | H21 | 0.7° | 0.1° |
| C19 | C18 | O22 | C23 | 96.8° | 90.1° |
| O22 | C18 | C19 | O20 | 60.3° | 0.1° |
| O22 | C18 | C19 | N21 | 118.6° | 180.0° |
| C18 | O22 | C23 | H231 | 49.7° | 60.1° |
| C18 | O22 | C23 | H232 | 159.1° | 60.0° |
| H18 | C18 | C19 | O20 | 177.1° | 120.0° |
| H18 | C18 | C19 | N21 | 1.8° | 60.0° |
| H18 | C18 | O22 | C23 | 20.0° | 29.9° |
| O20 | C19 | N21 | C39 | 0.4° | 0.0° |
| O20 | C19 | N21 | H21 | 179.6° | 180.0° |
| C19 | N21 | C39 | H21 | 180.0° | 180.0° |
| C19 | N21 | C39 | C40 | 99.4° | 92.8° |
| C19 | N21 | C39 | C45 | 147.3° | 151.4° |
| C19 | N21 | C39 | H39 | 23.9° | 29.3° |
| N21 | C39 | C40 | C45 | 119.6° | 118.9° |
| N21 | C39 | C40 | H39 | 123.3° | 122.1° |
| N21 | C39 | C45 | H39 | 123.4° | 122.0° |
| N21 | C39 | C40 | C41 | 140.3° | 136.0° |
| N21 | C39 | C40 | C42 | 39.4° | 43.7° |
| N21 | C39 | C45 | O46 | 31.6° | 26.9° |
| N21 | C39 | C45 | C48 | 152.8° | 145.3° |
| N21 | C39 | C45 | H45 | 88.8° | 96.6° |
| H21 | N21 | C39 | C40 | 80.6° | 87.2° |
| H21 | N21 | C39 | C45 | 32.6° | 28.6° |
| H21 | N21 | C39 | H39 | 156.1° | 150.7° |
| O22 | C23 | H231 | H232 | 118.3° | 120.1° |
| O27 | C26 | N28 | C29 | 0.2° | 0.1° |
| O27 | C26 | N28 | H28 | 179.8° | 180.0° |
| C26 | N28 | C29 | H28 | 180.0° | 179.9° |
| C26 | N28 | C29 | C30 | 99.8° | 91.5° |
| C26 | N28 | C29 | C35 | 146.7° | 153.0° |
| C26 | N28 | C29 | H29 | 20.6° | 30.6° |
| N28 | C29 | C30 | C35 | 124.4° | 119.0° |
| N28 | C29 | C30 | H29 | 120.4° | 122.1° |
| N28 | C29 | C35 | H29 | 126.0° | 122.3° |
| N28 | C29 | C30 | C31 | 148.3° | 136.2° |
| N28 | C29 | C30 | C32 | 31.5° | 43.8° |
| N28 | C29 | C35 | O36 | 35.6° | 26.9° |
| N28 | C29 | C35 | C38 | 157.0° | 145.2° |
| N28 | C29 | C35 | H35 | 84.6° | 96.5° |
| H28 | N28 | C29 | C30 | 80.2° | 88.6° |
| H28 | N28 | C29 | C35 | 33.3° | 26.9° |
| H28 | N28 | C29 | H29 | 159.3° | 149.3° |
| C30 | C29 | C35 | H29 | 115.2° | 118.8° |
| C29 | C30 | C31 | C32 | 179.8° | 180.0° |
| C29 | C30 | C31 | C37 | 179.8° | 180.0° |
| C29 | C30 | C31 | C38 | 0.2° | 0.0° |
| C29 | C30 | C32 | C33 | 179.7° | 180.0° |
| C29 | C30 | C32 | H32 | 0.3° | 0.0° |
| C30 | C29 | C35 | O36 | 83.1° | 92.0° |
| C30 | C29 | C35 | C38 | 38.3° | 26.4° |
| C30 | C29 | C35 | H35 | 156.7° | 144.7° |
| C35 | C29 | C30 | C31 | 23.9° | 17.2° |
| C35 | C29 | C30 | C32 | 155.9° | 162.8° |
| C29 | C35 | C38 | C31 | 38.8° | 26.4° |
| C29 | C35 | O36 | C38 | 114.4° | 113.2° |
| C29 | C35 | O36 | H35 | 120.2° | 123.4° |
| C29 | C35 | C38 | H35 | 118.3° | 118.3° |
| C29 | C35 | O36 | H36 | 180.0° | 177.3° |
| C29 | C35 | C38 | H381 | 86.4° | 145.4° |
| C29 | C35 | C38 | H382 | 164.0° | 92.5° |
| H29 | C29 | C30 | C31 | 91.3° | 101.7° |
| H29 | C29 | C30 | C32 | 88.9° | 78.3° |
| H29 | C29 | C35 | O36 | 161.7° | 149.3° |
| H29 | C29 | C35 | C38 | 76.9° | 92.4° |
| H29 | C29 | C35 | H35 | 41.4° | 25.9° |
| C30 | C31 | C37 | C38 | 180.0° | 179.9° |
| C31 | C30 | C32 | C33 | 0.0° | 0.0° |
| C31 | C30 | C32 | H32 | 180.0° | 180.0° |
| C30 | C31 | C37 | C34 | 0.1° | 0.1° |
| C30 | C31 | C38 | C35 | 24.2° | 17.2° |
| C30 | C31 | C37 | H37 | 179.9° | 180.0° |
| C30 | C31 | C38 | H381 | 101.1° | 136.1° |
| C30 | C31 | C38 | H382 | 149.4° | 101.7° |
| C32 | C30 | C31 | C37 | 0.0° | 0.0° |
| C32 | C30 | C31 | C38 | 180.0° | 180.0° |
| C30 | C32 | C33 | H32 | 180.0° | 180.0° |
| C30 | C32 | C33 | C34 | 0.0° | 0.0° |
| C30 | C32 | C33 | H33 | 179.9° | 180.0° |
| C31 | C37 | C34 | C33 | 0.1° | 0.1° |
| C31 | C37 | C34 | H37 | 180.0° | 180.0° |
| C31 | C37 | C34 | H34 | 179.9° | 180.0° |
| C37 | C31 | C38 | C35 | 155.8° | 162.8° |
| C37 | C31 | C38 | H381 | 78.9° | 43.8° |
| C37 | C31 | C38 | H382 | 30.6° | 78.3° |
| C38 | C31 | C37 | C34 | 179.9° | 180.0° |
| C31 | C38 | C35 | O36 | 77.5° | 91.9° |
| C31 | C38 | C35 | H381 | 125.3° | 119.0° |
| C31 | C38 | C35 | H382 | 125.2° | 118.9° |
| C31 | C38 | C35 | H35 | 157.1° | 144.8° |
| C38 | C31 | C37 | H37 | 0.1° | 0.0° |
| C31 | C38 | H381 | H382 | 121.3° | 122.1° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C37 | 0.0° | 0.0° |
| C32 | C33 | C34 | H34 | 180.0° | 179.9° |
| H32 | C32 | C33 | C34 | 180.0° | 180.0° |
| H32 | C32 | C33 | H33 | 0.0° | 0.0° |
| C33 | C34 | C37 | H34 | 180.0° | 179.9° |
| C33 | C34 | C37 | H37 | 179.9° | 179.9° |
| H33 | C33 | C34 | C37 | 180.0° | 179.9° |
| H33 | C33 | C34 | H34 | 0.0° | 0.1° |
| H34 | C34 | C37 | H37 | 0.1° | 0.0° |
| O36 | C35 | C38 | H35 | 125.4° | 123.3° |
| O36 | C35 | C38 | H381 | 157.3° | 27.1° |
| O36 | C35 | C38 | H382 | 47.8° | 149.2° |
| C38 | C35 | O36 | H36 | 65.6° | 64.1° |
| C35 | C38 | H381 | H382 | 121.3° | 122.1° |
| H35 | C35 | O36 | H36 | 59.8° | 59.3° |
| H35 | C35 | C38 | H381 | 31.9° | 96.3° |
| H35 | C35 | C38 | H382 | 77.6° | 25.9° |
| C40 | C39 | C45 | H39 | 117.0° | 119.0° |
| C39 | C40 | C41 | C42 | 179.7° | 179.7° |
| C39 | C40 | C41 | C47 | 179.8° | 180.0° |
| C39 | C40 | C41 | C48 | 0.2° | 0.2° |
| C39 | C40 | C42 | C43 | 179.7° | 179.9° |
| C39 | C40 | C42 | H42 | 0.3° | 0.2° |
| C40 | C39 | C45 | O46 | 88.0° | 92.1° |
| C40 | C39 | C45 | C48 | 33.2° | 26.3° |
| C40 | C39 | C45 | H45 | 151.7° | 144.5° |
| C45 | C39 | C40 | C41 | 20.7° | 17.0° |
| C45 | C39 | C40 | C42 | 159.0° | 162.6° |
| C39 | C45 | C48 | C41 | 34.0° | 26.4° |
| C39 | C45 | O46 | C48 | 115.2° | 113.0° |
| C39 | C45 | O46 | H45 | 120.4° | 123.4° |
| C39 | C45 | C48 | H45 | 118.5° | 118.2° |
| C39 | C45 | O46 | H46 | 180.0° | 180.0° |
| C39 | C45 | C48 | H481 | 91.3° | 145.2° |
| C39 | C45 | C48 | H482 | 159.3° | 92.5° |
| H39 | C39 | C40 | C41 | 96.4° | 101.9° |
| H39 | C39 | C40 | C42 | 83.9° | 78.4° |
| H39 | C39 | C45 | O46 | 155.0° | 148.9° |
| H39 | C39 | C45 | C48 | 83.8° | 92.7° |
| H39 | C39 | C45 | H45 | 34.7° | 25.5° |
| C40 | C41 | C47 | C48 | 180.0° | 179.8° |
| C41 | C40 | C42 | C43 | 0.0° | 0.2° |
| C41 | C40 | C42 | H42 | 180.0° | 179.9° |
| C40 | C41 | C47 | C44 | 0.0° | 0.2° |
| C40 | C41 | C48 | C45 | 21.4° | 17.3° |
| C40 | C41 | C47 | H47 | 180.0° | 179.9° |
| C40 | C41 | C48 | H481 | 103.9° | 136.2° |
| C40 | C41 | C48 | H482 | 146.7° | 101.6° |
| C42 | C40 | C41 | C47 | 0.0° | 0.3° |
| C42 | C40 | C41 | C48 | 180.0° | 179.9° |
| C40 | C42 | C43 | H42 | 180.0° | 179.9° |
| C40 | C42 | C43 | C44 | 0.0° | 0.1° |
| C40 | C42 | C43 | H43 | 180.0° | 179.9° |
| C41 | C47 | C44 | C43 | 0.0° | 0.0° |
| C41 | C47 | C44 | H47 | 180.0° | 180.0° |
| C41 | C47 | C44 | H44 | 180.0° | 179.9° |
| C47 | C41 | C48 | C45 | 158.6° | 162.9° |
| C47 | C41 | C48 | H481 | 76.1° | 43.9° |
| C47 | C41 | C48 | H482 | 33.3° | 78.2° |
| C48 | C41 | C47 | C44 | 180.0° | 180.0° |
| C41 | C48 | C45 | O46 | 83.1° | 91.9° |
| C41 | C48 | C45 | H481 | 125.3° | 118.9° |
| C41 | C48 | C45 | H482 | 125.3° | 118.9° |
| C41 | C48 | C45 | H45 | 152.5° | 144.6° |
| C48 | C41 | C47 | H47 | 0.0° | 0.1° |
| C41 | C48 | H481 | H482 | 120.4° | 122.1° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | C47 | 0.0° | 0.0° |
| C42 | C43 | C44 | H44 | 180.0° | 180.0° |
| H42 | C42 | C43 | C44 | 180.0° | 180.0° |
| H42 | C42 | C43 | H43 | 0.0° | 0.0° |
| C43 | C44 | C47 | H44 | 180.0° | 179.9° |
| C43 | C44 | C47 | H47 | 180.0° | 180.0° |
| H43 | C43 | C44 | C47 | 180.0° | 180.0° |
| H43 | C43 | C44 | H44 | 0.0° | 0.1° |
| H44 | C44 | C47 | H47 | 0.0° | 0.1° |
| O46 | C45 | C48 | H45 | 124.4° | 123.5° |
| O46 | C45 | C48 | H481 | 151.7° | 26.9° |
| O46 | C45 | C48 | H482 | 42.2° | 149.2° |
| C48 | C45 | O46 | H46 | 64.8° | 66.9° |
| C45 | C48 | H481 | H482 | 120.4° | 122.2° |
| H45 | C45 | O46 | H46 | 59.6° | 56.6° |
| H45 | C45 | C48 | H481 | 27.2° | 96.6° |
| H45 | C45 | C48 | H482 | 82.2° | 25.7° |
