8CW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C45 | O44 | sing | 1.43Å | 1.43Å | |
| O44 | C43 | sing | 1.36Å | 1.44Å | |
| C43 | C46 | doub | 1.39Å | 1.43Å | Aromatic |
| C43 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| CL1 | C41 | sing | 1.74Å | 1.80Å | |
| C25 | C24 | sing | 1.50Å | 1.59Å | |
| C41 | C40 | doub | 1.39Å | 1.38Å | Aromatic |
| C47 | C26 | sing | 1.50Å | 1.60Å | |
| C47 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C24 | sing | 1.51Å | 1.54Å | |
| C34 | C33 | sing | 1.51Å | 1.59Å | |
| C24 | C23 | doub | 1.33Å | 1.34Å | |
| C40 | C48 | sing | 1.39Å | 1.40Å | Aromatic |
| C40 | N39 | sing | 1.40Å | 1.45Å | |
| C23 | C22 | sing | 1.46Å | 1.56Å | |
| C22 | C21 | doub | 1.32Å | 1.36Å | |
| N39 | C38 | sing | 1.35Å | 1.47Å | |
| C37 | C35 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.51Å | 1.56Å | |
| C33 | C35 | sing | 1.51Å | 1.56Å | |
| C33 | C32 | doub | 1.31Å | 1.39Å | |
| C35 | O36 | sing | 1.43Å | 1.42Å | |
| C28 | O27 | sing | 1.43Å | 1.45Å | |
| C38 | O49 | doub | 1.21Å | 1.22Å | |
| C20 | O27 | sing | 1.43Å | 1.40Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | C19 | sing | 1.51Å | 1.57Å | |
| C18 | C19 | sing | 1.51Å | 1.58Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.51Å | 1.58Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | O29 | doub | 1.21Å | 1.21Å | |
| C17 | O16 | sing | 1.43Å | 1.45Å | |
| O16 | C14 | sing | 1.43Å | 1.58Å | |
| O56 | C55 | sing | 1.43Å | 1.43Å | |
| C53 | C55 | sing | 1.55Å | 1.66Å | |
| C53 | O54 | sing | 1.43Å | 1.42Å | |
| C53 | C09 | sing | 1.55Å | 1.31Å | |
| C55 | C07 | sing | 1.55Å | 1.31Å | |
| C14 | O13 | sing | 1.43Å | 1.55Å | |
| C14 | O15 | sing | 1.43Å | 1.42Å | |
| C14 | N50 | sing | 1.47Å | 1.49Å | |
| O13 | P12 | sing | 1.61Å | 1.73Å | |
| O52 | P12 | doub | 1.48Å | 1.55Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | O11 | sing | 1.43Å | 1.39Å | |
| C05 | N04 | doub | 1.30Å | 1.34Å | Aromatic |
| C05 | N06 | sing | 1.36Å | 1.34Å | Aromatic |
| C09 | O08 | sing | 1.44Å | 1.58Å | |
| N04 | C03 | sing | 1.35Å | 1.36Å | Aromatic |
| P12 | O11 | sing | 1.61Å | 1.68Å | |
| P12 | O51 | sing | 1.61Å | 1.52Å | |
| C07 | N06 | sing | 1.46Å | 1.47Å | |
| C07 | O08 | sing | 1.44Å | 1.58Å | |
| N06 | C57 | sing | 1.37Å | 1.36Å | Aromatic |
| C03 | C57 | doub | 1.40Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.41Å | 1.42Å | Aromatic |
| C57 | N58 | sing | 1.33Å | 1.35Å | Aromatic |
| N01 | C02 | sing | 1.38Å | 1.52Å | |
| C02 | N60 | doub | 1.33Å | 1.33Å | Aromatic |
| N58 | C59 | doub | 1.32Å | 1.34Å | Aromatic |
| N60 | C59 | sing | 1.32Å | 1.33Å | Aromatic |
| C22 | H1 | sing | 1.09Å | 1.08Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C34 | H5 | sing | 1.09Å | 1.10Å | |
| C34 | H6 | sing | 1.09Å | 1.10Å | |
| C35 | H7 | sing | 1.09Å | 1.10Å | |
| C37 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C45 | H10 | sing | 1.09Å | 1.10Å | |
| C45 | H11 | sing | 1.09Å | 1.10Å | |
| C45 | H12 | sing | 1.09Å | 1.10Å | |
| C46 | H13 | sing | 1.08Å | 1.08Å | |
| C48 | H14 | sing | 1.08Å | 1.08Å | |
| O56 | H15 | sing | 0.97Å | 0.95Å | |
| C05 | H16 | sing | 1.08Å | 1.08Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.08Å | 1.08Å | |
| C53 | H40 | sing | 1.09Å | 1.10Å | |
| C55 | H41 | sing | 1.09Å | 1.10Å | |
| C59 | H42 | sing | 1.08Å | 1.08Å | |
| N01 | H43 | sing | 0.97Å | 1.00Å | |
| N01 | H44 | sing | 0.97Å | 1.00Å | |
| N39 | H45 | sing | 0.97Å | 1.00Å | |
| N50 | H46 | sing | 1.01Å | 1.00Å | |
| N50 | H47 | sing | 1.01Å | 1.00Å | |
| O15 | H49 | sing | 0.97Å | 0.95Å | |
| O36 | H50 | sing | 0.97Å | 0.95Å | |
| O51 | H51 | sing | 0.97Å | 0.95Å | |
| O54 | H52 | sing | 0.97Å | 0.95Å | |
| C34 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | O44 | C43 | 117.5° | 117.0° |
| O44 | C45 | H10 | 109.5° | 109.5° |
| O44 | C45 | H11 | 109.5° | 109.4° |
| O44 | C45 | H12 | 109.5° | 109.5° |
| O44 | C43 | C46 | 122.8° | 120.0° |
| O44 | C43 | C41 | 118.4° | 120.0° |
| C46 | C43 | C41 | 118.8° | 120.0° |
| C43 | C46 | C47 | 116.9° | 120.2° |
| C43 | C46 | H13 | 121.6° | 119.9° |
| C43 | C41 | CL1 | 120.6° | 120.1° |
| C43 | C41 | C40 | 124.2° | 119.8° |
| C46 | C47 | C26 | 118.8° | 119.5° |
| C46 | C47 | C48 | 123.0° | 120.0° |
| C47 | C46 | H13 | 121.6° | 119.9° |
| CL1 | C41 | C40 | 115.1° | 120.1° |
| C25 | C24 | C26 | 121.0° | 120.3° |
| C25 | C24 | C23 | 120.5° | 121.1° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C24 | C25 | H28 | 109.5° | 109.5° |
| C24 | C25 | H29 | 109.5° | 109.4° |
| C41 | C40 | C48 | 117.4° | 120.1° |
| C41 | C40 | N39 | 120.8° | 119.8° |
| C26 | C47 | C48 | 118.2° | 120.5° |
| C47 | C26 | C24 | 99.8° | 110.8° |
| C47 | C26 | H30 | 111.9° | 109.3° |
| C47 | C26 | H31 | 111.9° | 109.2° |
| C47 | C48 | C40 | 119.6° | 120.0° |
| C47 | C48 | H14 | 120.2° | 119.9° |
| C26 | C24 | C23 | 118.5° | 118.6° |
| C24 | C26 | H30 | 111.8° | 109.1° |
| C24 | C26 | H31 | 111.8° | 109.2° |
| C34 | C33 | C35 | 116.4° | 120.1° |
| C34 | C33 | C32 | 123.8° | 120.5° |
| C33 | C34 | H5 | 109.5° | 109.4° |
| C33 | C34 | H6 | 109.5° | 109.5° |
| C33 | C34 | H2 | 109.5° | 109.5° |
| C24 | C23 | C22 | 117.6° | 121.9° |
| C24 | C23 | H3 | 121.2° | 117.3° |
| C48 | C40 | N39 | 121.6° | 120.1° |
| C40 | C48 | H14 | 120.2° | 120.0° |
| C40 | N39 | C38 | 128.6° | 118.6° |
| C40 | N39 | H45 | 115.7° | 120.7° |
| C23 | C22 | C21 | 114.3° | 123.0° |
| C23 | C22 | H1 | 122.8° | 118.8° |
| C22 | C23 | H3 | 121.2° | 120.7° |
| C22 | C21 | C20 | 102.3° | 120.0° |
| C21 | C22 | H1 | 122.9° | 118.2° |
| C22 | C21 | H25 | 128.8° | 120.4° |
| N39 | C38 | C37 | 119.6° | 119.6° |
| N39 | C38 | O49 | 119.5° | 120.2° |
| C38 | N39 | H45 | 115.7° | 120.7° |
| C35 | C37 | C38 | 108.5° | 109.4° |
| C37 | C35 | C33 | 104.8° | 109.4° |
| C37 | C35 | O36 | 111.9° | 109.5° |
| C37 | C35 | H7 | 109.7° | 109.4° |
| C35 | C37 | H8 | 109.7° | 109.5° |
| C35 | C37 | H9 | 109.7° | 109.4° |
| C37 | C38 | O49 | 120.9° | 120.2° |
| C38 | C37 | H8 | 109.7° | 109.5° |
| C38 | C37 | H9 | 109.7° | 109.5° |
| C35 | C33 | C32 | 119.7° | 119.4° |
| C33 | C35 | O36 | 110.1° | 109.5° |
| C33 | C35 | H7 | 109.1° | 109.5° |
| C33 | C32 | C30 | 122.4° | 119.2° |
| C33 | C32 | H39 | 118.8° | 120.0° |
| O36 | C35 | H7 | 111.0° | 109.5° |
| C35 | O36 | H50 | 109.5° | 114.0° |
| C28 | O27 | C20 | 109.8° | 114.0° |
| O27 | C28 | H32 | 109.5° | 109.5° |
| O27 | C28 | H33 | 109.5° | 109.5° |
| O27 | C28 | H34 | 109.5° | 109.5° |
| O27 | C20 | C21 | 112.0° | 109.5° |
| O27 | C20 | C19 | 109.5° | 109.4° |
| O27 | C20 | H24 | 108.5° | 109.4° |
| C21 | C20 | C19 | 113.4° | 109.7° |
| C21 | C20 | H24 | 106.7° | 109.4° |
| C20 | C21 | H25 | 128.8° | 119.6° |
| C20 | C19 | C18 | 119.8° | 120.3° |
| C20 | C19 | O29 | 122.6° | 119.9° |
| C19 | C20 | H24 | 106.4° | 109.4° |
| C19 | C18 | C17 | 113.0° | 109.5° |
| C18 | C19 | O29 | 117.5° | 119.9° |
| C19 | C18 | H22 | 108.6° | 109.5° |
| C19 | C18 | H23 | 108.6° | 109.5° |
| C18 | C17 | C30 | 99.9° | 109.5° |
| C18 | C17 | O16 | 108.6° | 109.5° |
| C18 | C17 | H21 | 111.3° | 109.5° |
| C17 | C18 | H22 | 108.6° | 109.5° |
| C17 | C18 | H23 | 108.6° | 109.5° |
| C32 | C30 | C31 | 109.3° | 109.4° |
| C32 | C30 | C17 | 113.0° | 109.5° |
| C32 | C30 | H35 | 108.3° | 109.4° |
| C30 | C32 | H39 | 118.8° | 120.8° |
| C31 | C30 | C17 | 108.1° | 109.5° |
| C31 | C30 | H35 | 109.1° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.5° |
| C30 | C31 | H37 | 109.5° | 109.4° |
| C30 | C31 | H38 | 109.5° | 109.5° |
| C30 | C17 | O16 | 112.4° | 109.4° |
| C30 | C17 | H21 | 111.4° | 109.5° |
| C17 | C30 | H35 | 109.0° | 109.4° |
| C17 | O16 | C14 | 126.0° | 114.0° |
| O16 | C17 | H21 | 112.5° | 109.5° |
| O16 | C14 | O13 | 110.9° | 109.4° |
| O16 | C14 | O15 | 112.6° | 109.5° |
| O16 | C14 | N50 | 107.6° | 109.5° |
| O56 | C55 | C53 | 112.7° | 110.5° |
| O56 | C55 | C07 | 109.8° | 110.5° |
| C55 | O56 | H15 | 109.5° | 114.0° |
| O56 | C55 | H41 | 110.5° | 110.5° |
| C55 | C53 | O54 | 108.7° | 110.5° |
| C55 | C53 | C09 | 105.8° | 104.1° |
| C53 | C55 | C07 | 103.9° | 104.0° |
| C55 | C53 | H40 | 108.8° | 110.5° |
| C53 | C55 | H41 | 107.5° | 110.6° |
| O54 | C53 | C09 | 107.1° | 110.5° |
| O54 | C53 | H40 | 112.1° | 110.5° |
| C53 | O54 | H52 | 109.5° | 114.0° |
| C53 | C09 | C10 | 111.6° | 110.4° |
| C53 | C09 | O08 | 107.1° | 104.8° |
| C53 | C09 | H18 | 112.7° | 110.4° |
| C09 | C53 | H40 | 114.1° | 110.6° |
| C55 | C07 | N06 | 104.8° | 110.3° |
| C55 | C07 | O08 | 105.1° | 104.8° |
| C55 | C07 | H17 | 113.8° | 110.5° |
| C07 | C55 | H41 | 112.3° | 110.5° |
| O13 | C14 | O15 | 113.0° | 109.5° |
| O13 | C14 | N50 | 101.3° | 109.4° |
| C14 | O13 | P12 | 136.4° | 123.0° |
| O15 | C14 | N50 | 110.8° | 109.5° |
| C14 | O15 | H49 | 109.5° | 114.0° |
| C14 | N50 | H46 | 109.5° | 111.0° |
| C14 | N50 | H47 | 109.5° | 111.1° |
| O13 | P12 | O52 | 100.4° | 109.4° |
| O13 | P12 | O11 | 116.5° | 109.5° |
| O13 | P12 | O51 | 125.0° | 109.5° |
| O52 | P12 | O11 | 109.4° | 109.5° |
| O52 | P12 | O51 | 100.4° | 109.5° |
| C09 | C10 | O11 | 105.0° | 109.5° |
| C10 | C09 | O08 | 107.2° | 110.4° |
| C10 | C09 | H18 | 109.3° | 110.3° |
| C09 | C10 | H19 | 110.6° | 109.5° |
| C09 | C10 | H20 | 110.6° | 109.5° |
| C10 | O11 | P12 | 120.9° | 123.0° |
| O11 | C10 | H19 | 110.6° | 109.5° |
| O11 | C10 | H20 | 110.6° | 109.4° |
| N04 | C05 | N06 | 108.7° | 109.9° |
| C05 | N04 | C03 | 108.4° | 109.5° |
| N04 | C05 | H16 | 125.6° | 125.1° |
| C05 | N06 | C07 | 126.5° | 126.3° |
| C05 | N06 | C57 | 109.5° | 107.4° |
| N06 | C05 | H16 | 125.6° | 125.0° |
| C09 | O08 | C07 | 103.6° | 105.3° |
| O08 | C09 | H18 | 108.7° | 110.4° |
| N04 | C03 | C57 | 107.5° | 107.2° |
| N04 | C03 | C02 | 134.5° | 134.7° |
| O11 | P12 | O51 | 103.2° | 109.5° |
| P12 | O51 | H51 | 109.5° | 114.1° |
| N06 | C07 | O08 | 112.2° | 110.4° |
| C07 | N06 | C57 | 123.9° | 126.3° |
| N06 | C07 | H17 | 111.1° | 110.3° |
| O08 | C07 | H17 | 109.6° | 110.4° |
| N06 | C57 | C03 | 105.9° | 106.0° |
| N06 | C57 | N58 | 133.6° | 134.9° |
| C57 | C03 | C02 | 117.9° | 118.2° |
| C03 | C57 | N58 | 120.6° | 119.1° |
| C03 | C02 | N01 | 120.8° | 120.8° |
| C03 | C02 | N60 | 118.7° | 118.5° |
| C57 | N58 | C59 | 118.6° | 120.6° |
| N01 | C02 | N60 | 120.6° | 120.7° |
| C02 | N01 | H43 | 109.5° | 120.0° |
| C02 | N01 | H44 | 109.5° | 120.0° |
| C02 | N60 | C59 | 121.6° | 121.1° |
| N58 | C59 | N60 | 122.6° | 122.5° |
| N58 | C59 | H42 | 118.7° | 118.7° |
| N60 | C59 | H42 | 118.7° | 118.7° |
| H5 | C34 | H6 | 109.5° | 109.5° |
| H5 | C34 | H2 | 109.4° | 109.5° |
| H6 | C34 | H2 | 109.5° | 109.5° |
| H8 | C37 | H9 | 109.5° | 109.5° |
| H10 | C45 | H11 | 109.5° | 109.5° |
| H10 | C45 | H12 | 109.4° | 109.5° |
| H11 | C45 | H12 | 109.5° | 109.4° |
| H19 | C10 | H20 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H27 | C25 | H28 | 109.4° | 109.5° |
| H27 | C25 | H29 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.2° |
| H32 | C28 | H33 | 109.4° | 109.4° |
| H32 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.4° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H36 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H38 | 109.4° | 109.5° |
| H43 | N01 | H44 | 109.5° | 120.0° |
| H46 | N50 | H47 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | O44 | C43 | C46 | 1.8° | 0.0° |
| C45 | O44 | C43 | C41 | 178.6° | 179.9° |
| O44 | C45 | H10 | H11 | 120.0° | 119.9° |
| O44 | C45 | H10 | H12 | 120.0° | 120.1° |
| O44 | C45 | H11 | H12 | 120.0° | 120.0° |
| O44 | C43 | C46 | C41 | 179.5° | 179.9° |
| O44 | C43 | C46 | C47 | 179.4° | 179.9° |
| O44 | C43 | C41 | CL1 | 0.1° | 0.0° |
| O44 | C43 | C41 | C40 | 179.1° | 179.9° |
| C43 | O44 | C45 | H10 | 180.0° | 180.0° |
| C43 | O44 | C45 | H11 | 60.0° | 60.0° |
| C43 | O44 | C45 | H12 | 60.0° | 59.9° |
| O44 | C43 | C46 | H13 | 0.6° | 0.2° |
| C43 | C46 | C47 | H13 | 180.0° | 179.9° |
| C46 | C43 | C41 | CL1 | 179.4° | 179.9° |
| C46 | C43 | C41 | C40 | 0.4° | 0.2° |
| C43 | C46 | C47 | C26 | 179.3° | 179.6° |
| C43 | C46 | C47 | C48 | 1.8° | 0.1° |
| C41 | C43 | C46 | C47 | 1.0° | 0.0° |
| C43 | C41 | CL1 | C40 | 179.1° | 179.9° |
| C43 | C41 | C40 | C48 | 1.2° | 0.2° |
| C43 | C41 | C40 | N39 | 176.6° | 179.4° |
| C41 | C43 | C46 | H13 | 179.0° | 179.9° |
| C46 | C47 | C26 | C48 | 177.6° | 179.7° |
| C46 | C47 | C26 | C24 | 105.2° | 130.2° |
| C46 | C47 | C48 | C40 | 1.0° | 0.1° |
| C46 | C47 | C48 | H14 | 178.9° | 180.0° |
| C46 | C47 | C26 | H30 | 13.2° | 9.9° |
| C46 | C47 | C26 | H31 | 136.4° | 109.5° |
| CL1 | C41 | C40 | C48 | 179.8° | 179.9° |
| CL1 | C41 | C40 | N39 | 4.4° | 0.5° |
| C25 | C24 | C26 | C47 | 74.8° | 42.4° |
| C25 | C24 | C26 | C23 | 178.1° | 179.3° |
| C25 | C24 | C23 | C22 | 1.8° | 0.7° |
| C25 | C24 | C23 | H3 | 178.2° | 176.2° |
| C24 | C25 | H27 | H28 | 120.0° | 120.0° |
| C24 | C25 | H27 | H29 | 120.0° | 120.0° |
| C24 | C25 | H28 | H29 | 120.0° | 120.0° |
| C25 | C24 | C26 | H30 | 43.6° | 77.9° |
| C25 | C24 | C26 | H31 | 166.7° | 162.8° |
| C41 | C40 | C48 | C47 | 0.5° | 0.1° |
| C41 | C40 | C48 | N39 | 175.3° | 179.7° |
| C41 | C40 | N39 | C38 | 113.7° | 177.4° |
| C41 | C40 | C48 | H14 | 179.6° | 179.8° |
| C41 | C40 | N39 | H45 | 66.3° | 2.6° |
| C47 | C26 | C24 | H30 | 118.4° | 120.4° |
| C47 | C26 | C24 | H31 | 118.4° | 120.4° |
| C47 | C26 | C24 | C23 | 103.2° | 138.2° |
| C26 | C47 | C48 | C40 | 178.6° | 179.6° |
| C26 | C47 | C46 | H13 | 0.7° | 0.6° |
| C26 | C47 | C48 | H14 | 1.4° | 0.3° |
| C47 | C26 | H30 | H31 | 124.6° | 119.4° |
| C48 | C47 | C26 | C24 | 72.5° | 50.2° |
| C47 | C48 | C40 | H14 | 180.0° | 179.9° |
| C47 | C48 | C40 | N39 | 175.8° | 179.6° |
| C48 | C47 | C46 | H13 | 178.2° | 179.8° |
| C48 | C47 | C26 | H30 | 169.1° | 170.4° |
| C48 | C47 | C26 | H31 | 45.9° | 70.2° |
| C26 | C24 | C23 | C22 | 179.9° | 180.0° |
| C26 | C24 | C23 | H3 | 0.1° | 3.1° |
| C26 | C24 | C25 | H27 | 180.0° | 179.4° |
| C26 | C24 | C25 | H28 | 60.0° | 59.3° |
| C26 | C24 | C25 | H29 | 60.0° | 60.7° |
| C24 | C26 | H30 | H31 | 124.5° | 119.3° |
| C34 | C33 | C35 | C37 | 63.8° | 25.5° |
| C34 | C33 | C35 | C32 | 177.8° | 179.9° |
| C34 | C33 | C35 | O36 | 175.7° | 145.5° |
| C34 | C33 | C32 | C30 | 3.1° | 0.0° |
| C33 | C34 | H5 | H6 | 120.0° | 120.0° |
| C33 | C34 | H5 | H2 | 120.0° | 120.0° |
| C33 | C34 | H6 | H2 | 120.0° | 120.0° |
| C34 | C33 | C35 | H7 | 53.7° | 94.4° |
| C34 | C33 | C32 | H39 | 176.9° | 180.0° |
| C24 | C23 | C22 | H3 | 180.0° | 176.8° |
| C24 | C23 | C22 | C21 | 145.8° | 63.2° |
| C24 | C23 | C22 | H1 | 34.2° | 116.9° |
| C23 | C24 | C25 | H27 | 1.9° | 0.1° |
| C23 | C24 | C25 | H28 | 118.0° | 120.0° |
| C23 | C24 | C25 | H29 | 121.9° | 120.0° |
| C23 | C24 | C26 | H30 | 138.3° | 101.4° |
| C23 | C24 | C26 | H31 | 15.2° | 17.9° |
| C48 | C40 | N39 | C38 | 71.1° | 2.3° |
| C48 | C40 | N39 | H45 | 108.9° | 177.7° |
| C40 | N39 | C38 | H45 | 180.0° | 180.0° |
| C40 | N39 | C38 | C37 | 4.4° | 178.7° |
| C40 | N39 | C38 | O49 | 175.7° | 1.3° |
| N39 | C40 | C48 | H14 | 4.2° | 0.5° |
| C23 | C22 | C21 | H1 | 180.0° | 179.8° |
| C23 | C22 | C21 | C20 | 180.0° | 179.9° |
| C23 | C22 | C21 | H25 | 0.0° | 0.4° |
| C22 | C21 | C20 | O27 | 134.1° | 60.6° |
| C22 | C21 | C20 | H25 | 180.0° | 179.5° |
| C22 | C21 | C20 | C19 | 101.3° | 179.3° |
| C21 | C22 | C23 | H3 | 34.2° | 119.9° |
| C22 | C21 | C20 | H24 | 15.5° | 59.3° |
| N39 | C38 | C37 | C35 | 155.8° | 108.5° |
| N39 | C38 | C37 | O49 | 179.8° | 180.0° |
| N39 | C38 | C37 | H8 | 84.4° | 131.5° |
| N39 | C38 | C37 | H9 | 35.9° | 11.4° |
| C35 | C37 | C38 | H8 | 119.9° | 120.0° |
| C35 | C37 | C38 | H9 | 119.9° | 119.9° |
| C37 | C35 | C33 | O36 | 120.5° | 119.9° |
| C37 | C35 | C33 | H7 | 117.5° | 119.9° |
| C37 | C35 | C33 | C32 | 114.0° | 154.5° |
| C37 | C35 | O36 | H7 | 123.0° | 120.0° |
| C35 | C37 | C38 | O49 | 24.1° | 71.5° |
| C35 | C37 | H8 | H9 | 120.5° | 120.0° |
| C37 | C35 | O36 | H50 | 41.1° | 60.1° |
| C38 | C37 | C35 | C33 | 171.9° | 101.0° |
| C38 | C37 | C35 | O36 | 52.6° | 19.0° |
| C38 | C37 | C35 | H7 | 71.1° | 139.1° |
| C38 | C37 | H8 | H9 | 120.4° | 120.0° |
| C37 | C38 | N39 | H45 | 175.6° | 1.3° |
| C33 | C35 | O36 | H7 | 120.9° | 120.1° |
| C35 | C33 | C32 | C30 | 179.3° | 180.0° |
| C35 | C33 | C34 | H5 | 180.0° | 90.1° |
| C35 | C33 | C34 | H6 | 60.0° | 150.0° |
| C33 | C35 | C37 | H8 | 52.0° | 19.0° |
| C33 | C35 | C37 | H9 | 68.3° | 139.1° |
| C35 | C33 | C32 | H39 | 0.7° | 0.1° |
| C33 | C35 | O36 | H50 | 157.3° | 180.0° |
| C35 | C33 | C34 | H2 | 60.0° | 30.0° |
| C32 | C33 | C35 | O36 | 6.5° | 34.6° |
| C33 | C32 | C30 | H39 | 180.0° | 179.9° |
| C33 | C32 | C30 | C31 | 110.1° | 101.6° |
| C33 | C32 | C30 | C17 | 129.5° | 138.3° |
| C32 | C33 | C34 | H5 | 2.3° | 90.0° |
| C32 | C33 | C34 | H6 | 122.3° | 30.0° |
| C32 | C33 | C35 | H7 | 128.5° | 85.6° |
| C33 | C32 | C30 | H35 | 8.7° | 18.4° |
| C32 | C33 | C34 | H2 | 117.7° | 150.0° |
| O36 | C35 | C37 | H8 | 67.3° | 139.0° |
| O36 | C35 | C37 | H9 | 172.4° | 100.9° |
| C28 | O27 | C20 | C21 | 178.2° | 150.5° |
| C28 | O27 | C20 | C19 | 55.1° | 89.3° |
| C28 | O27 | C20 | H24 | 60.6° | 30.6° |
| O27 | C28 | H32 | H33 | 120.0° | 120.0° |
| O27 | C28 | H32 | H34 | 120.0° | 120.0° |
| O27 | C28 | H33 | H34 | 120.0° | 120.0° |
| O49 | C38 | C37 | H8 | 95.8° | 48.5° |
| O49 | C38 | C37 | H9 | 143.9° | 168.6° |
| O49 | C38 | N39 | H45 | 4.3° | 178.8° |
| O27 | C20 | C21 | C19 | 124.6° | 120.1° |
| O27 | C20 | C21 | H24 | 118.6° | 119.9° |
| O27 | C20 | C19 | H24 | 117.0° | 119.9° |
| O27 | C20 | C19 | C18 | 112.4° | 166.6° |
| O27 | C20 | C19 | O29 | 64.8° | 13.5° |
| O27 | C20 | C21 | H25 | 45.9° | 119.9° |
| C20 | O27 | C28 | H32 | 180.0° | 63.9° |
| C20 | O27 | C28 | H33 | 60.0° | 56.1° |
| C20 | O27 | C28 | H34 | 60.0° | 176.0° |
| C21 | C20 | C19 | H24 | 117.0° | 120.1° |
| C21 | C20 | C19 | C18 | 121.7° | 46.5° |
| C21 | C20 | C19 | O29 | 61.2° | 133.6° |
| C20 | C21 | C22 | H1 | 0.1° | 0.1° |
| C20 | C19 | C18 | O29 | 177.3° | 179.9° |
| C20 | C19 | C18 | C17 | 165.0° | 170.5° |
| C20 | C19 | C18 | H22 | 44.5° | 50.5° |
| C20 | C19 | C18 | H23 | 74.5° | 69.5° |
| C19 | C20 | C21 | H25 | 78.7° | 0.2° |
| C19 | C18 | C17 | H22 | 120.5° | 120.0° |
| C19 | C18 | C17 | H23 | 120.5° | 120.0° |
| C19 | C18 | C17 | C30 | 143.5° | 157.7° |
| C19 | C18 | C17 | O16 | 98.6° | 82.3° |
| C19 | C18 | C17 | H21 | 25.7° | 37.7° |
| C19 | C18 | H22 | H23 | 118.4° | 120.0° |
| C18 | C19 | C20 | H24 | 4.7° | 73.6° |
| C18 | C17 | C30 | C32 | 103.3° | 67.9° |
| C18 | C17 | C30 | C31 | 135.6° | 172.1° |
| C18 | C17 | C30 | O16 | 114.9° | 120.0° |
| C18 | C17 | C30 | H21 | 117.8° | 120.0° |
| C17 | C18 | C19 | O29 | 17.7° | 9.4° |
| C18 | C17 | O16 | H21 | 123.7° | 120.0° |
| C18 | C17 | O16 | C14 | 106.4° | 122.6° |
| C17 | C18 | H22 | H23 | 118.4° | 120.0° |
| C18 | C17 | C30 | H35 | 17.1° | 52.1° |
| C32 | C30 | C31 | C17 | 123.4° | 120.1° |
| C32 | C30 | C31 | H35 | 118.3° | 120.0° |
| C32 | C30 | C17 | H35 | 120.4° | 120.0° |
| C32 | C30 | C17 | O16 | 141.8° | 172.1° |
| C32 | C30 | C17 | H21 | 14.5° | 52.1° |
| C32 | C30 | C31 | H36 | 180.0° | 60.0° |
| C32 | C30 | C31 | H37 | 60.0° | 180.0° |
| C32 | C30 | C31 | H38 | 60.0° | 60.0° |
| C31 | C30 | C17 | H35 | 118.5° | 120.0° |
| C31 | C30 | C17 | O16 | 20.7° | 52.1° |
| C31 | C30 | C17 | H21 | 106.6° | 68.0° |
| C30 | C31 | H36 | H37 | 120.0° | 119.9° |
| C30 | C31 | H36 | H38 | 120.0° | 120.0° |
| C30 | C31 | H37 | H38 | 120.0° | 120.0° |
| C31 | C30 | C32 | H39 | 69.9° | 78.4° |
| C30 | C17 | O16 | H21 | 126.7° | 120.0° |
| C30 | C17 | O16 | C14 | 144.0° | 117.4° |
| C30 | C17 | C18 | H22 | 23.0° | 82.3° |
| C30 | C17 | C18 | H23 | 95.9° | 37.7° |
| C17 | C30 | C31 | H36 | 56.6° | 179.9° |
| C17 | C30 | C31 | H37 | 63.4° | 59.9° |
| C17 | C30 | C31 | H38 | 176.7° | 60.1° |
| C17 | C30 | C32 | H39 | 50.5° | 41.6° |
| O29 | C19 | C18 | H22 | 138.2° | 129.5° |
| O29 | C19 | C18 | H23 | 102.8° | 110.6° |
| O29 | C19 | C20 | H24 | 178.2° | 106.4° |
| C17 | O16 | C14 | O13 | 167.4° | 173.3° |
| C17 | O16 | C14 | O15 | 39.7° | 66.7° |
| C17 | O16 | C14 | N50 | 82.6° | 53.4° |
| O16 | C17 | C18 | H22 | 140.8° | 37.7° |
| O16 | C17 | C18 | H23 | 21.9° | 157.7° |
| O16 | C17 | C30 | H35 | 97.8° | 67.9° |
| O16 | C14 | O13 | O15 | 127.5° | 120.0° |
| O16 | C14 | O13 | N50 | 114.0° | 119.9° |
| O16 | C14 | O15 | N50 | 120.5° | 120.0° |
| O16 | C14 | O13 | P12 | 153.8° | 180.0° |
| C14 | O16 | C17 | H21 | 17.3° | 2.6° |
| O16 | C14 | N50 | H46 | 180.0° | 64.0° |
| O16 | C14 | N50 | H47 | 60.0° | 59.9° |
| O16 | C14 | O15 | H49 | 5.2° | 60.0° |
| O56 | C55 | C53 | C07 | 118.8° | 118.6° |
| O56 | C55 | C53 | H41 | 121.9° | 122.7° |
| O56 | C55 | C53 | O54 | 42.8° | 0.0° |
| O56 | C55 | C53 | C09 | 157.5° | 118.6° |
| O56 | C55 | C07 | H41 | 123.4° | 122.6° |
| O56 | C55 | C07 | N06 | 85.6° | 98.5° |
| O56 | C55 | C07 | O08 | 156.0° | 142.6° |
| O56 | C55 | C07 | H17 | 36.0° | 23.8° |
| O56 | C55 | C53 | H40 | 79.5° | 122.6° |
| C55 | C53 | O54 | C09 | 113.9° | 114.6° |
| C55 | C53 | O54 | H40 | 120.3° | 122.6° |
| C55 | C53 | C09 | H40 | 119.5° | 118.7° |
| C53 | C55 | C07 | H41 | 115.9° | 118.7° |
| C55 | C53 | C09 | C10 | 95.8° | 142.9° |
| C55 | C53 | C09 | O08 | 21.3° | 24.0° |
| C53 | C55 | C07 | N06 | 153.6° | 142.8° |
| C53 | C55 | C07 | O08 | 35.2° | 24.0° |
| C53 | C55 | O56 | H15 | 180.0° | 61.4° |
| C53 | C55 | C07 | H17 | 84.8° | 94.9° |
| C55 | C53 | C09 | H18 | 140.9° | 94.9° |
| C55 | C53 | O54 | H52 | 180.0° | 61.5° |
| O54 | C53 | C09 | H40 | 124.6° | 122.7° |
| O54 | C53 | C55 | C07 | 76.1° | 118.6° |
| O54 | C53 | C09 | C10 | 148.4° | 98.5° |
| O54 | C53 | C09 | O08 | 94.5° | 142.6° |
| O54 | C53 | C09 | H18 | 25.1° | 23.7° |
| O54 | C53 | C55 | H41 | 164.7° | 122.7° |
| C09 | C53 | C55 | C07 | 38.7° | 0.0° |
| C53 | C09 | C10 | O08 | 117.0° | 115.4° |
| C53 | C09 | C10 | H18 | 125.3° | 122.3° |
| C53 | C09 | C10 | O11 | 172.3° | 178.1° |
| C53 | C09 | O08 | H18 | 122.0° | 118.9° |
| C53 | C09 | O08 | C07 | 1.8° | 40.6° |
| C53 | C09 | C10 | H19 | 68.4° | 58.1° |
| C53 | C09 | C10 | H20 | 53.0° | 61.9° |
| C09 | C53 | C55 | H41 | 80.6° | 118.7° |
| C09 | C53 | O54 | H52 | 66.1° | 176.1° |
| C55 | C07 | N06 | C05 | 47.3° | 91.9° |
| C55 | C07 | O08 | C09 | 23.9° | 40.5° |
| C55 | C07 | N06 | O08 | 113.5° | 115.4° |
| C55 | C07 | N06 | H17 | 123.4° | 122.4° |
| C55 | C07 | O08 | H17 | 122.7° | 119.0° |
| C55 | C07 | N06 | C57 | 128.2° | 88.2° |
| C07 | C55 | O56 | H15 | 64.7° | 176.0° |
| C07 | C55 | C53 | H40 | 161.7° | 118.8° |
| O13 | C14 | O15 | N50 | 112.9° | 120.0° |
| C14 | O13 | P12 | O52 | 166.0° | 55.0° |
| C14 | O13 | P12 | O11 | 48.0° | 175.0° |
| C14 | O13 | P12 | O51 | 83.4° | 65.0° |
| O13 | C14 | N50 | H46 | 63.6° | 176.1° |
| O13 | C14 | N50 | H47 | 176.4° | 60.0° |
| O13 | C14 | O15 | H49 | 131.8° | 60.0° |
| O15 | C14 | O13 | P12 | 26.3° | 60.0° |
| O15 | C14 | N50 | H46 | 56.6° | 56.1° |
| O15 | C14 | N50 | H47 | 63.5° | 180.0° |
| N50 | C14 | O13 | P12 | 92.2° | 60.0° |
| C14 | N50 | H46 | H47 | 120.0° | 124.0° |
| N50 | C14 | O15 | H49 | 115.3° | 180.0° |
| O13 | P12 | O52 | O11 | 123.1° | 120.0° |
| O13 | P12 | O52 | O51 | 128.8° | 120.0° |
| O13 | P12 | O11 | C10 | 38.2° | 175.0° |
| O13 | P12 | O11 | O51 | 140.9° | 120.0° |
| O13 | P12 | O51 | H51 | 110.6° | 60.0° |
| O52 | P12 | O11 | C10 | 74.7° | 55.0° |
| O52 | P12 | O11 | O51 | 106.2° | 120.0° |
| O52 | P12 | O51 | H51 | 0.0° | 180.0° |
| C09 | C10 | O11 | H19 | 119.3° | 120.1° |
| C09 | C10 | O11 | H20 | 119.3° | 120.0° |
| C10 | C09 | O08 | H18 | 118.0° | 122.2° |
| C09 | C10 | O11 | P12 | 145.3° | 180.0° |
| C10 | C09 | O08 | C07 | 118.1° | 159.5° |
| C09 | C10 | H19 | H20 | 122.1° | 120.0° |
| C10 | C09 | C53 | H40 | 23.8° | 24.1° |
| O11 | C10 | C09 | O08 | 55.3° | 66.5° |
| C10 | O11 | P12 | O51 | 179.1° | 65.0° |
| O11 | C10 | C09 | H18 | 62.4° | 55.8° |
| O11 | C10 | H19 | H20 | 122.1° | 119.9° |
| N04 | C05 | N06 | H16 | 180.0° | 180.0° |
| N04 | C05 | N06 | C07 | 177.2° | 180.0° |
| N04 | C05 | N06 | C57 | 1.2° | 0.0° |
| C05 | N04 | C03 | C57 | 0.8° | 0.1° |
| C05 | N04 | C03 | C02 | 179.2° | 179.9° |
| N06 | C05 | N04 | C03 | 1.2° | 0.1° |
| C05 | N06 | C07 | C57 | 175.5° | 179.9° |
| C05 | N06 | C07 | O08 | 66.2° | 23.5° |
| C05 | N06 | C57 | C03 | 0.7° | 0.0° |
| C05 | N06 | C57 | N58 | 179.8° | 179.9° |
| C05 | N06 | C07 | H17 | 170.7° | 145.7° |
| C09 | O08 | C07 | N06 | 137.2° | 159.3° |
| C09 | O08 | C07 | H17 | 98.8° | 78.4° |
| O08 | C09 | C10 | H19 | 174.5° | 173.5° |
| O08 | C09 | C10 | H20 | 64.0° | 53.5° |
| O08 | C09 | C53 | H40 | 140.9° | 94.7° |
| N04 | C03 | C57 | N06 | 0.1° | 0.1° |
| N04 | C03 | C57 | C02 | 178.7° | 179.9° |
| N04 | C03 | C57 | N58 | 179.5° | 180.0° |
| N04 | C03 | C02 | N01 | 1.1° | 0.1° |
| N04 | C03 | C02 | N60 | 179.6° | 179.9° |
| C03 | N04 | C05 | H16 | 178.7° | 180.0° |
| P12 | O11 | C10 | H19 | 26.1° | 59.9° |
| P12 | O11 | C10 | H20 | 95.4° | 60.0° |
| O11 | P12 | O51 | H51 | 113.0° | 60.0° |
| N06 | C07 | O08 | H17 | 124.0° | 122.2° |
| C07 | N06 | C57 | C03 | 176.8° | 179.9° |
| C07 | N06 | C57 | N58 | 3.7° | 0.0° |
| C07 | N06 | C05 | H16 | 2.8° | 0.1° |
| N06 | C07 | C55 | H41 | 37.7° | 24.1° |
| O08 | C07 | N06 | C57 | 118.4° | 156.4° |
| C07 | O08 | C09 | H18 | 123.8° | 78.3° |
| O08 | C07 | C55 | H41 | 80.7° | 94.8° |
| N06 | C57 | C03 | N58 | 179.6° | 179.9° |
| N06 | C57 | C03 | C02 | 178.8° | 179.9° |
| N06 | C57 | N58 | C59 | 179.9° | 180.0° |
| C57 | N06 | C05 | H16 | 178.8° | 180.0° |
| C57 | N06 | C07 | H17 | 4.8° | 34.2° |
| C57 | C03 | C02 | N01 | 179.3° | 179.7° |
| C57 | C03 | C02 | N60 | 1.4° | 0.1° |
| C03 | C57 | N58 | C59 | 0.5° | 0.1° |
| C02 | C03 | C57 | N58 | 0.8° | 0.1° |
| C03 | C02 | N01 | N60 | 179.2° | 179.8° |
| C03 | C02 | N60 | C59 | 0.8° | 0.0° |
| C03 | C02 | N01 | H43 | 179.2° | 179.7° |
| C03 | C02 | N01 | H44 | 60.7° | 0.2° |
| C57 | N58 | C59 | N60 | 1.2° | 0.0° |
| C57 | N58 | C59 | H42 | 178.8° | 179.9° |
| N01 | C02 | N60 | C59 | 180.0° | 179.8° |
| C02 | N01 | H43 | H44 | 120.0° | 179.9° |
| C02 | N60 | C59 | N58 | 0.6° | 0.0° |
| C02 | N60 | C59 | H42 | 179.4° | 180.0° |
| N60 | C02 | N01 | H43 | 0.0° | 0.1° |
| N60 | C02 | N01 | H44 | 120.0° | 180.0° |
| N58 | C59 | N60 | H42 | 180.0° | 180.0° |
| H1 | C22 | C23 | H3 | 145.8° | 59.9° |
| H1 | C22 | C21 | H25 | 180.0° | 179.4° |
| H5 | C34 | H6 | H2 | 120.0° | 120.0° |
| H7 | C35 | C37 | H8 | 169.0° | 100.9° |
| H7 | C35 | C37 | H9 | 48.7° | 19.1° |
| H7 | C35 | O36 | H50 | 81.9° | 59.9° |
| H10 | C45 | H11 | H12 | 119.9° | 120.0° |
| H15 | O56 | C55 | H41 | 59.8° | 61.4° |
| H17 | C07 | C55 | H41 | 159.3° | 146.4° |
| H18 | C09 | C10 | H19 | 56.8° | 64.2° |
| H18 | C09 | C10 | H20 | 178.3° | 175.8° |
| H18 | C09 | C53 | H40 | 99.6° | 146.4° |
| H21 | C17 | C18 | H22 | 94.8° | 157.8° |
| H21 | C17 | C18 | H23 | 146.2° | 82.2° |
| H21 | C17 | C30 | H35 | 134.9° | 172.0° |
| H24 | C20 | C21 | H25 | 164.5° | 120.2° |
| H27 | C25 | H28 | H29 | 120.0° | 120.0° |
| H32 | C28 | H33 | H34 | 120.0° | 120.0° |
| H35 | C30 | C31 | H36 | 61.7° | 59.9° |
| H35 | C30 | C31 | H37 | 178.2° | 60.0° |
| H35 | C30 | C31 | H38 | 58.3° | 179.9° |
| H35 | C30 | C32 | H39 | 171.3° | 161.6° |
| H36 | C31 | H37 | H38 | 120.0° | 120.0° |
| H40 | C53 | C55 | H41 | 42.4° | 0.1° |
| H40 | C53 | O54 | H52 | 59.7° | 61.1° |
