GDF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.49Å | 1.33Å | |
| C03 | C53 | sing | 1.49Å | 1.64Å | |
| C04 | C05 | doub | 1.30Å | 1.48Å | |
| C05 | C06 | sing | 1.49Å | 1.53Å | |
| C06 | N07 | sing | 1.44Å | 1.43Å | |
| C08 | C09 | sing | 1.56Å | 1.49Å | |
| C08 | N07 | sing | 1.48Å | 1.48Å | |
| C09 | C11 | sing | 1.54Å | 1.43Å | |
| C10 | C11 | sing | 1.51Å | 1.45Å | |
| C10 | N07 | sing | 1.46Å | 1.47Å | |
| C11 | C12 | sing | 1.50Å | 1.43Å | |
| C11 | C46 | sing | 1.53Å | 1.59Å | |
| C12 | C13 | doub | 1.37Å | 1.41Å | Aromatic |
| C12 | C43 | sing | 1.41Å | 1.54Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.47Å | Aromatic |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C14 | C39 | doub | 1.38Å | 1.51Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.61Å | |
| C15 | C25 | sing | 1.48Å | 1.53Å | |
| C15 | C35 | sing | 1.51Å | 1.57Å | |
| C16 | C17 | doub | 1.36Å | 1.46Å | Aromatic |
| C16 | N24 | sing | 1.37Å | 1.33Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.43Å | Aromatic |
| C17 | C34 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.41Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
| C23 | N24 | sing | 1.36Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.47Å | 1.59Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C32 | sing | 1.50Å | 1.51Å | |
| C27 | C28 | doub | 1.30Å | 1.37Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | C31 | sing | 1.50Å | 1.64Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C31 | N33 | sing | 1.44Å | 1.51Å | |
| C32 | N33 | sing | 1.48Å | 1.41Å | |
| C34 | N33 | sing | 1.45Å | 1.50Å | |
| C35 | O36 | sing | 1.34Å | 1.43Å | |
| C35 | O38 | doub | 1.21Å | 1.19Å | |
| C37 | O36 | sing | 1.45Å | 1.45Å | |
| C39 | C42 | sing | 1.39Å | 1.45Å | Aromatic |
| C39 | O40 | sing | 1.36Å | 1.43Å | |
| C41 | O40 | sing | 1.43Å | 1.42Å | |
| C42 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C43 | N44 | sing | 1.41Å | 1.60Å | |
| C45 | N44 | sing | 1.45Å | 1.46Å | |
| C46 | C47 | sing | 1.49Å | 1.21Å | |
| C46 | N44 | sing | 1.45Å | 1.54Å | |
| C47 | C48 | sing | 1.52Å | 1.57Å | |
| C47 | C53 | sing | 1.54Å | 1.53Å | |
| C47 | O52 | sing | 1.42Å | 1.58Å | |
| C48 | O49 | sing | 1.34Å | 1.41Å | |
| C48 | O51 | doub | 1.21Å | 1.17Å | |
| C50 | O49 | sing | 1.45Å | 1.45Å | |
| C53 | O54 | sing | 1.46Å | 1.35Å | |
| C55 | C56 | sing | 1.51Å | 1.56Å | |
| C55 | O54 | sing | 1.34Å | 1.42Å | |
| C55 | O57 | doub | 1.21Å | 1.20Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.08Å | 1.10Å | |
| C09 | H14 | sing | 1.10Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.12Å | 1.10Å | |
| C25 | H23 | sing | 1.11Å | 1.10Å | |
| C26 | H24 | sing | 1.12Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.08Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.08Å | 1.10Å | |
| C34 | H35 | sing | 1.08Å | 1.10Å | |
| C34 | H36 | sing | 1.10Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H43 | sing | 1.08Å | 1.08Å | |
| C45 | H44 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H47 | sing | 1.13Å | 1.10Å | |
| C50 | H48 | sing | 1.09Å | 1.10Å | |
| C50 | H49 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C56 | H52 | sing | 1.09Å | 1.10Å | |
| C56 | H53 | sing | 1.09Å | 1.10Å | |
| C56 | H54 | sing | 1.09Å | 1.10Å | |
| N24 | H55 | sing | 0.97Å | 1.00Å | |
| O52 | H57 | sing | 0.97Å | 0.95Å | |
| C06 | H58 | sing | 1.09Å | 1.10Å | |
| C10 | C03 | sing | 1.48Å | 1.80Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 114.2° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.3° | 109.5° |
| C01 | C02 | H5 | 108.3° | 109.5° |
| C02 | C03 | C04 | 108.0° | 97.5° |
| C02 | C03 | C53 | 104.7° | 99.7° |
| C03 | C02 | H4 | 108.3° | 109.5° |
| C03 | C02 | H5 | 108.3° | 109.4° |
| C02 | C03 | C10 | 108.9° | 99.8° |
| C04 | C03 | C53 | 113.2° | 113.0° |
| C03 | C04 | C05 | 118.4° | 121.1° |
| C03 | C04 | H7 | 120.8° | 119.3° |
| C04 | C03 | C10 | 114.1° | 115.8° |
| C03 | C53 | C47 | 113.2° | 116.3° |
| C03 | C53 | O54 | 111.4° | 108.3° |
| C03 | C53 | H51 | 104.8° | 108.3° |
| C53 | C03 | C10 | 107.5° | 123.8° |
| C04 | C05 | C06 | 126.8° | 119.9° |
| C05 | C04 | H7 | 120.8° | 119.7° |
| C04 | C05 | H9 | 116.6° | 120.1° |
| C05 | C06 | N07 | 115.8° | 115.2° |
| C06 | C05 | H9 | 116.6° | 120.0° |
| C05 | C06 | H10 | 107.9° | 108.2° |
| C05 | C06 | H58 | 107.9° | 108.3° |
| C06 | N07 | C08 | 126.6° | 110.6° |
| C06 | N07 | C10 | 120.6° | 119.9° |
| N07 | C06 | H10 | 107.8° | 108.5° |
| N07 | C06 | H58 | 107.9° | 108.3° |
| C09 | C08 | N07 | 103.9° | 104.5° |
| C08 | C09 | C11 | 107.4° | 100.9° |
| C09 | C08 | H11 | 110.8° | 110.3° |
| C09 | C08 | H12 | 110.8° | 109.9° |
| C08 | C09 | H13 | 110.0° | 110.2° |
| C08 | C09 | H14 | 110.0° | 109.2° |
| C08 | N07 | C10 | 102.7° | 108.6° |
| N07 | C08 | H11 | 110.8° | 110.8° |
| N07 | C08 | H12 | 110.8° | 110.5° |
| C09 | C11 | C10 | 107.1° | 104.3° |
| C09 | C11 | C12 | 105.1° | 107.1° |
| C09 | C11 | C46 | 112.6° | 115.6° |
| C11 | C09 | H13 | 110.0° | 114.3° |
| C11 | C09 | H14 | 110.0° | 111.2° |
| C11 | C10 | N07 | 107.2° | 107.3° |
| C10 | C11 | C12 | 115.3° | 118.1° |
| C10 | C11 | C46 | 118.3° | 112.4° |
| C11 | C10 | H15 | 107.7° | 105.7° |
| C11 | C10 | C03 | 112.2° | 115.3° |
| N07 | C10 | H15 | 107.4° | 106.0° |
| N07 | C10 | C03 | 117.8° | 115.2° |
| C12 | C11 | C46 | 97.8° | 99.8° |
| C11 | C12 | C13 | 130.4° | 132.2° |
| C11 | C12 | C43 | 108.6° | 106.0° |
| C11 | C46 | C47 | 119.6° | 113.3° |
| C11 | C46 | N44 | 106.1° | 102.8° |
| C11 | C46 | H47 | 96.4° | 106.0° |
| C13 | C12 | C43 | 120.9° | 121.8° |
| C12 | C13 | C14 | 117.4° | 117.3° |
| C12 | C13 | H17 | 121.3° | 121.4° |
| C12 | C43 | C42 | 121.6° | 120.4° |
| C12 | C43 | N44 | 108.1° | 110.7° |
| C13 | C14 | C15 | 119.8° | 119.2° |
| C13 | C14 | C39 | 121.2° | 121.5° |
| C14 | C13 | H17 | 121.3° | 121.3° |
| C15 | C14 | C39 | 118.9° | 119.3° |
| C14 | C15 | C16 | 113.3° | 105.2° |
| C14 | C15 | C25 | 101.4° | 106.5° |
| C14 | C15 | C35 | 109.8° | 104.8° |
| C14 | C39 | C42 | 119.8° | 121.7° |
| C14 | C39 | O40 | 123.6° | 119.1° |
| C16 | C15 | C25 | 120.2° | 115.0° |
| C16 | C15 | C35 | 103.4° | 109.9° |
| C15 | C16 | C17 | 127.4° | 127.6° |
| C15 | C16 | N24 | 126.1° | 123.2° |
| C25 | C15 | C35 | 108.5° | 114.5° |
| C15 | C25 | C26 | 117.7° | 122.4° |
| C15 | C25 | H22 | 107.4° | 106.9° |
| C15 | C25 | H23 | 107.4° | 109.0° |
| C15 | C35 | O36 | 118.6° | 120.0° |
| C15 | C35 | O38 | 121.1° | 120.0° |
| C17 | C16 | N24 | 106.4° | 109.2° |
| C16 | C17 | C18 | 107.2° | 106.6° |
| C16 | C17 | C34 | 124.6° | 130.5° |
| C16 | N24 | C23 | 111.9° | 110.8° |
| C16 | N24 | H55 | 124.0° | 124.2° |
| C18 | C17 | C34 | 128.1° | 122.9° |
| C17 | C18 | C19 | 133.2° | 132.4° |
| C17 | C18 | C23 | 107.3° | 106.3° |
| C17 | C34 | N33 | 112.4° | 115.6° |
| C17 | C34 | H35 | 108.7° | 109.3° |
| C17 | C34 | H36 | 108.8° | 107.9° |
| C19 | C18 | C23 | 119.4° | 121.2° |
| C18 | C19 | C20 | 122.3° | 116.9° |
| C18 | C19 | H18 | 118.9° | 122.4° |
| C18 | C23 | C22 | 119.6° | 120.9° |
| C18 | C23 | N24 | 107.1° | 106.9° |
| C19 | C20 | C21 | 118.6° | 121.9° |
| C20 | C19 | H18 | 118.9° | 120.7° |
| C19 | C20 | H19 | 120.7° | 119.3° |
| C20 | C21 | C22 | 119.4° | 122.4° |
| C21 | C20 | H19 | 120.7° | 118.7° |
| C20 | C21 | H20 | 120.3° | 118.9° |
| C21 | C22 | C23 | 120.6° | 116.6° |
| C22 | C21 | H20 | 120.3° | 118.7° |
| C21 | C22 | H21 | 119.7° | 121.9° |
| C22 | C23 | N24 | 133.3° | 132.1° |
| C23 | C22 | H21 | 119.7° | 121.5° |
| C23 | N24 | H55 | 124.0° | 125.0° |
| C25 | C26 | C27 | 108.7° | 114.1° |
| C25 | C26 | C32 | 116.6° | 116.5° |
| C26 | C25 | H22 | 107.4° | 106.8° |
| C26 | C25 | H23 | 107.4° | 108.5° |
| C25 | C26 | H24 | 106.6° | 106.8° |
| C27 | C26 | C32 | 109.6° | 107.4° |
| C26 | C27 | C28 | 118.4° | 120.5° |
| C27 | C26 | H24 | 107.4° | 106.3° |
| C26 | C27 | H25 | 120.8° | 120.7° |
| C26 | C32 | N33 | 118.2° | 108.1° |
| C32 | C26 | H24 | 107.6° | 104.9° |
| C26 | C32 | H33 | 107.2° | 109.1° |
| C26 | C32 | H34 | 107.3° | 109.5° |
| C27 | C28 | C29 | 118.1° | 118.1° |
| C27 | C28 | C31 | 122.3° | 124.1° |
| C28 | C27 | H25 | 120.8° | 118.7° |
| C29 | C28 | C31 | 119.3° | 117.8° |
| C28 | C29 | C30 | 112.2° | 109.4° |
| C28 | C29 | H26 | 108.8° | 109.5° |
| C28 | C29 | H27 | 108.8° | 109.5° |
| C28 | C31 | N33 | 112.1° | 113.0° |
| C28 | C31 | H31 | 108.8° | 108.9° |
| C28 | C31 | H32 | 108.8° | 108.6° |
| C30 | C29 | H26 | 108.8° | 109.5° |
| C30 | C29 | H27 | 108.8° | 109.5° |
| C29 | C30 | H28 | 109.5° | 109.4° |
| C29 | C30 | H29 | 109.4° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C31 | N33 | C32 | 104.5° | 114.2° |
| C31 | N33 | C34 | 115.2° | 119.7° |
| N33 | C31 | H31 | 108.8° | 108.8° |
| N33 | C31 | H32 | 108.8° | 108.7° |
| C32 | N33 | C34 | 117.6° | 110.8° |
| N33 | C32 | H33 | 107.2° | 109.9° |
| N33 | C32 | H34 | 107.2° | 110.1° |
| N33 | C34 | H35 | 108.8° | 109.0° |
| N33 | C34 | H36 | 108.7° | 107.5° |
| O36 | C35 | O38 | 120.3° | 120.0° |
| C35 | O36 | C37 | 117.1° | 117.0° |
| O36 | C37 | H37 | 109.5° | 109.5° |
| O36 | C37 | H38 | 109.5° | 109.5° |
| O36 | C37 | H39 | 109.5° | 109.5° |
| C42 | C39 | O40 | 116.6° | 119.1° |
| C39 | C42 | C43 | 119.0° | 117.3° |
| C39 | C42 | H43 | 120.5° | 121.4° |
| C39 | O40 | C41 | 114.3° | 117.0° |
| O40 | C41 | H40 | 109.5° | 109.4° |
| O40 | C41 | H41 | 109.5° | 109.5° |
| O40 | C41 | H42 | 109.5° | 109.5° |
| C42 | C43 | N44 | 130.2° | 128.8° |
| C43 | C42 | H43 | 120.5° | 121.3° |
| C43 | N44 | C45 | 128.0° | 113.2° |
| C43 | N44 | C46 | 93.0° | 103.4° |
| C45 | N44 | C46 | 138.6° | 115.7° |
| N44 | C45 | H44 | 109.5° | 109.5° |
| N44 | C45 | H45 | 109.4° | 109.5° |
| N44 | C45 | H46 | 109.5° | 109.5° |
| C47 | C46 | N44 | 129.6° | 124.4° |
| C46 | C47 | C48 | 110.1° | 109.5° |
| C46 | C47 | C53 | 102.4° | 106.2° |
| C46 | C47 | O52 | 120.1° | 114.0° |
| C47 | C46 | H47 | 98.4° | 104.9° |
| N44 | C46 | H47 | 96.6° | 103.9° |
| C48 | C47 | C53 | 112.3° | 108.0° |
| C48 | C47 | O52 | 106.3° | 108.5° |
| C47 | C48 | O49 | 120.3° | 120.0° |
| C47 | C48 | O51 | 120.1° | 120.1° |
| C53 | C47 | O52 | 105.7° | 110.6° |
| C47 | C53 | O54 | 112.9° | 108.0° |
| C47 | C53 | H51 | 105.8° | 108.0° |
| C47 | O52 | H57 | 109.5° | 113.9° |
| O49 | C48 | O51 | 119.5° | 120.0° |
| C48 | O49 | C50 | 114.1° | 117.0° |
| O49 | C50 | H48 | 109.5° | 109.5° |
| O49 | C50 | H49 | 109.4° | 109.5° |
| O49 | C50 | H50 | 109.5° | 109.4° |
| C53 | O54 | C55 | 107.7° | 117.0° |
| O54 | C53 | H51 | 108.0° | 107.6° |
| C56 | C55 | O54 | 118.8° | 120.0° |
| C56 | C55 | O57 | 120.0° | 120.0° |
| C55 | C56 | H52 | 109.5° | 109.4° |
| C55 | C56 | H53 | 109.5° | 109.5° |
| C55 | C56 | H54 | 109.5° | 109.4° |
| O54 | C55 | O57 | 121.3° | 120.0° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H10 | C06 | H58 | 109.5° | 108.2° |
| H11 | C08 | H12 | 109.5° | 110.7° |
| H13 | C09 | H14 | 109.5° | 110.6° |
| H15 | C10 | C03 | 104.1° | 106.5° |
| H22 | C25 | H23 | 109.5° | 101.1° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.4° |
| H28 | C30 | H30 | 109.4° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 108.7° |
| H33 | C32 | H34 | 109.5° | 110.1° |
| H35 | C34 | H36 | 109.5° | 107.3° |
| H37 | C37 | H38 | 109.5° | 109.5° |
| H37 | C37 | H39 | 109.5° | 109.4° |
| H38 | C37 | H39 | 109.4° | 109.5° |
| H40 | C41 | H41 | 109.5° | 109.5° |
| H40 | C41 | H42 | 109.5° | 109.5° |
| H41 | C41 | H42 | 109.5° | 109.5° |
| H44 | C45 | H45 | 109.5° | 109.5° |
| H44 | C45 | H46 | 109.5° | 109.5° |
| H45 | C45 | H46 | 109.5° | 109.5° |
| H48 | C50 | H49 | 109.5° | 109.5° |
| H48 | C50 | H50 | 109.5° | 109.4° |
| H49 | C50 | H50 | 109.5° | 109.5° |
| H52 | C56 | H53 | 109.4° | 109.5° |
| H52 | C56 | H54 | 109.5° | 109.5° |
| H53 | C56 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.7° | 120.0° |
| C01 | C02 | C03 | H5 | 120.7° | 120.0° |
| C01 | C02 | C03 | C04 | 57.4° | 53.4° |
| C01 | C02 | C03 | C53 | 178.3° | 168.5° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 117.9° | 120.0° |
| C01 | C02 | C03 | C10 | 67.0° | 64.5° |
| C02 | C03 | C04 | C53 | 115.4° | 104.0° |
| C02 | C03 | C04 | C10 | 121.2° | 104.8° |
| C02 | C03 | C53 | C10 | 115.7° | 108.9° |
| C02 | C03 | C04 | C05 | 147.8° | 133.5° |
| C02 | C03 | C10 | C11 | 103.4° | 103.6° |
| C02 | C03 | C10 | N07 | 131.6° | 130.5° |
| C02 | C03 | C53 | C47 | 148.1° | 113.6° |
| C02 | C03 | C53 | O54 | 83.3° | 124.6° |
| C03 | C02 | C01 | H1 | 180.0° | 174.6° |
| C03 | C02 | C01 | H2 | 60.0° | 65.4° |
| C03 | C02 | C01 | H3 | 60.0° | 54.5° |
| C03 | C02 | H4 | H5 | 117.9° | 120.0° |
| C02 | C03 | C04 | H7 | 32.2° | 46.3° |
| C02 | C03 | C10 | H15 | 12.8° | 13.3° |
| C02 | C03 | C53 | H51 | 33.2° | 8.2° |
| C04 | C03 | C53 | C10 | 126.9° | 148.6° |
| C03 | C04 | C05 | H7 | 180.0° | 179.8° |
| C03 | C04 | C05 | C06 | 26.1° | 0.0° |
| C04 | C03 | C10 | C11 | 135.9° | 153.0° |
| C04 | C03 | C10 | N07 | 10.9° | 27.1° |
| C04 | C03 | C53 | C47 | 94.5° | 143.9° |
| C04 | C03 | C53 | O54 | 34.1° | 22.1° |
| C04 | C03 | C02 | H4 | 178.0° | 173.4° |
| C04 | C03 | C02 | H5 | 63.3° | 66.5° |
| C03 | C04 | C05 | H9 | 153.9° | 179.8° |
| C04 | C03 | C10 | H15 | 107.9° | 90.1° |
| C04 | C03 | C53 | H51 | 150.6° | 94.3° |
| C53 | C03 | C04 | C05 | 96.8° | 122.5° |
| C53 | C03 | C10 | C11 | 9.5° | 5.2° |
| C53 | C03 | C10 | N07 | 115.6° | 120.7° |
| C03 | C53 | C47 | C46 | 73.8° | 37.9° |
| C03 | C53 | C47 | C48 | 168.2° | 155.3° |
| C03 | C53 | C47 | O54 | 127.9° | 121.9° |
| C03 | C53 | C47 | H51 | 114.2° | 121.9° |
| C03 | C53 | C47 | O52 | 52.7° | 86.2° |
| C03 | C53 | O54 | H51 | 114.5° | 116.8° |
| C03 | C53 | O54 | C55 | 121.3° | 150.0° |
| C53 | C03 | C02 | H4 | 61.1° | 71.5° |
| C53 | C03 | C02 | H5 | 57.6° | 48.5° |
| C53 | C03 | C04 | H7 | 83.2° | 57.7° |
| C53 | C03 | C10 | H15 | 125.7° | 122.1° |
| C04 | C05 | C06 | H9 | 180.0° | 179.8° |
| C04 | C05 | C06 | N07 | 3.3° | 28.9° |
| C04 | C05 | C06 | H10 | 124.2° | 92.7° |
| C04 | C05 | C06 | H58 | 117.7° | 150.3° |
| C05 | C04 | C03 | C10 | 26.6° | 28.7° |
| C05 | C06 | N07 | H10 | 120.9° | 121.5° |
| C05 | C06 | N07 | H58 | 120.9° | 121.4° |
| C05 | C06 | N07 | C08 | 153.1° | 156.4° |
| C05 | C06 | N07 | C10 | 13.8° | 28.8° |
| C06 | C05 | C04 | H7 | 153.9° | 179.8° |
| C05 | C06 | H10 | H58 | 117.1° | 117.2° |
| C06 | N07 | C08 | C09 | 111.2° | 110.8° |
| C06 | N07 | C08 | C10 | 144.9° | 133.5° |
| C06 | N07 | C10 | C11 | 116.9° | 128.8° |
| N07 | C06 | C05 | H9 | 176.7° | 150.9° |
| N07 | C06 | H10 | H58 | 117.1° | 117.2° |
| C06 | N07 | C08 | H11 | 129.8° | 130.4° |
| C06 | N07 | C08 | H12 | 7.9° | 7.4° |
| C06 | N07 | C10 | H15 | 127.6° | 118.6° |
| C06 | N07 | C10 | C03 | 10.6° | 1.1° |
| C09 | C08 | N07 | H11 | 119.1° | 118.7° |
| C09 | C08 | N07 | H12 | 119.1° | 118.2° |
| C08 | C09 | C11 | H13 | 119.7° | 118.2° |
| C08 | C09 | C11 | H14 | 119.7° | 115.7° |
| C08 | C09 | C11 | C10 | 6.7° | 35.9° |
| C09 | C08 | N07 | C10 | 33.8° | 22.7° |
| C08 | C09 | C11 | C12 | 116.4° | 90.1° |
| C08 | C09 | C11 | C46 | 138.3° | 159.8° |
| C09 | C08 | H11 | H12 | 122.6° | 121.9° |
| C08 | C09 | H13 | H14 | 120.9° | 120.9° |
| N07 | C08 | C09 | C11 | 25.6° | 35.9° |
| C08 | N07 | C10 | C11 | 30.6° | 0.3° |
| C08 | N07 | C06 | H10 | 32.2° | 35.0° |
| N07 | C08 | H11 | H12 | 122.6° | 122.9° |
| N07 | C08 | C09 | H13 | 94.0° | 85.3° |
| N07 | C08 | C09 | H14 | 145.3° | 153.1° |
| C08 | N07 | C10 | H15 | 84.8° | 112.9° |
| C08 | N07 | C06 | H58 | 86.0° | 82.2° |
| C08 | N07 | C10 | C03 | 158.1° | 129.6° |
| C09 | C11 | C10 | C12 | 116.5° | 118.7° |
| C09 | C11 | C10 | C46 | 128.5° | 125.9° |
| C09 | C11 | C10 | N07 | 15.1° | 23.5° |
| C09 | C11 | C12 | C46 | 116.0° | 120.7° |
| C09 | C11 | C12 | C13 | 91.7° | 84.7° |
| C09 | C11 | C12 | C43 | 85.7° | 95.3° |
| C09 | C11 | C46 | C47 | 99.4° | 61.8° |
| C09 | C11 | C46 | N44 | 58.3° | 75.0° |
| C11 | C09 | C08 | H11 | 93.5° | 83.2° |
| C11 | C09 | C08 | H12 | 144.7° | 154.5° |
| C11 | C09 | H13 | H14 | 121.0° | 126.4° |
| C09 | C11 | C10 | H15 | 100.2° | 136.3° |
| C09 | C11 | C46 | H47 | 157.1° | 176.3° |
| C09 | C11 | C10 | C03 | 145.8° | 106.4° |
| C11 | C10 | N07 | H15 | 115.5° | 112.6° |
| C11 | C10 | N07 | C03 | 127.5° | 129.9° |
| C10 | C11 | C12 | C46 | 126.4° | 122.0° |
| C10 | C11 | C12 | C13 | 25.9° | 32.5° |
| C10 | C11 | C12 | C43 | 156.7° | 147.5° |
| C10 | C11 | C46 | C47 | 26.4° | 57.8° |
| C10 | C11 | C46 | N44 | 175.9° | 165.5° |
| C10 | C11 | C09 | H13 | 113.0° | 82.2° |
| C10 | C11 | C09 | H14 | 126.3° | 151.7° |
| C11 | C10 | H15 | C03 | 119.3° | 123.1° |
| C10 | C11 | C46 | H47 | 77.1° | 56.7° |
| N07 | C10 | C11 | C12 | 131.6° | 95.2° |
| N07 | C10 | C11 | C46 | 113.3° | 149.4° |
| C10 | N07 | C06 | H10 | 107.1° | 92.6° |
| C10 | N07 | C08 | H11 | 85.3° | 96.0° |
| C10 | N07 | C08 | H12 | 152.8° | 140.9° |
| N07 | C10 | H15 | C03 | 125.6° | 123.2° |
| C10 | N07 | C06 | H58 | 134.7° | 150.2° |
| C11 | C12 | C13 | C43 | 177.1° | 180.0° |
| C11 | C12 | C13 | C14 | 177.7° | 179.4° |
| C11 | C12 | C43 | C42 | 179.1° | 179.0° |
| C11 | C12 | C43 | N44 | 2.6° | 2.1° |
| C12 | C11 | C46 | C47 | 150.6° | 176.2° |
| C12 | C11 | C46 | N44 | 51.6° | 39.4° |
| C12 | C11 | C09 | H13 | 124.0° | 151.8° |
| C12 | C11 | C09 | H14 | 3.3° | 25.7° |
| C12 | C11 | C10 | H15 | 16.3° | 17.6° |
| C11 | C12 | C13 | H17 | 2.3° | 0.6° |
| C12 | C11 | C46 | H47 | 47.1° | 69.3° |
| C12 | C11 | C10 | C03 | 97.7° | 134.9° |
| C46 | C11 | C12 | C13 | 152.3° | 154.5° |
| C46 | C11 | C12 | C43 | 30.4° | 25.5° |
| C11 | C46 | N44 | C43 | 46.9° | 39.3° |
| C11 | C46 | N44 | C45 | 125.6° | 85.1° |
| C11 | C46 | C47 | N44 | 151.9° | 125.9° |
| C11 | C46 | C47 | H47 | 102.3° | 115.1° |
| C11 | C46 | N44 | H47 | 98.6° | 110.3° |
| C11 | C46 | C47 | C48 | 169.7° | 178.2° |
| C11 | C46 | C47 | C53 | 70.7° | 65.4° |
| C11 | C46 | C47 | O52 | 45.9° | 56.6° |
| C46 | C11 | C09 | H13 | 18.6° | 41.6° |
| C46 | C11 | C09 | H14 | 102.0° | 84.5° |
| C46 | C11 | C10 | H15 | 131.4° | 97.8° |
| C46 | C11 | C10 | C03 | 17.4° | 19.5° |
| C12 | C13 | C14 | H17 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 177.4° | 180.0° |
| C12 | C13 | C14 | C39 | 0.1° | 0.1° |
| C13 | C12 | C43 | C42 | 1.4° | 1.0° |
| C13 | C12 | C43 | N44 | 179.7° | 177.9° |
| C43 | C12 | C13 | C14 | 0.6° | 0.6° |
| C12 | C43 | C42 | C39 | 1.5° | 0.7° |
| C12 | C43 | C42 | N44 | 177.9° | 178.6° |
| C12 | C43 | N44 | C45 | 146.5° | 102.3° |
| C12 | C43 | N44 | C46 | 27.2° | 23.7° |
| C43 | C12 | C13 | H17 | 179.4° | 179.4° |
| C12 | C43 | C42 | H43 | 178.5° | 179.5° |
| C13 | C14 | C15 | C39 | 177.3° | 180.0° |
| C13 | C14 | C15 | C16 | 23.6° | 0.0° |
| C13 | C14 | C15 | C25 | 106.6° | 122.4° |
| C13 | C14 | C15 | C35 | 138.7° | 115.9° |
| C13 | C14 | C39 | C42 | 0.3° | 0.3° |
| C13 | C14 | C39 | O40 | 179.6° | 179.7° |
| C14 | C15 | C16 | C25 | 120.0° | 116.8° |
| C14 | C15 | C16 | C35 | 118.9° | 112.4° |
| C14 | C15 | C25 | C35 | 115.6° | 115.3° |
| C14 | C15 | C16 | C17 | 124.3° | 118.5° |
| C14 | C15 | C16 | N24 | 59.0° | 60.4° |
| C14 | C15 | C25 | C26 | 56.8° | 164.9° |
| C14 | C15 | C35 | O36 | 45.5° | 67.3° |
| C14 | C15 | C35 | O38 | 135.8° | 112.7° |
| C15 | C14 | C39 | C42 | 177.6° | 179.7° |
| C15 | C14 | C39 | O40 | 3.1° | 0.3° |
| C15 | C14 | C13 | H17 | 2.6° | 0.0° |
| C14 | C15 | C25 | H22 | 178.0° | 41.4° |
| C14 | C15 | C25 | H23 | 64.4° | 67.1° |
| C39 | C14 | C15 | C16 | 159.1° | 180.0° |
| C39 | C14 | C15 | C25 | 70.7° | 57.5° |
| C39 | C14 | C15 | C35 | 44.0° | 64.1° |
| C14 | C39 | C42 | O40 | 179.4° | 180.0° |
| C14 | C39 | O40 | C41 | 145.9° | 180.0° |
| C14 | C39 | C42 | C43 | 1.0° | 0.1° |
| C39 | C14 | C13 | H17 | 179.9° | 180.0° |
| C14 | C39 | C42 | H43 | 179.0° | 179.9° |
| C16 | C15 | C25 | C35 | 118.6° | 128.6° |
| C15 | C16 | C17 | N24 | 177.3° | 179.0° |
| C15 | C16 | C17 | C18 | 178.3° | 178.1° |
| C15 | C16 | C17 | C34 | 3.9° | 2.1° |
| C15 | C16 | N24 | C23 | 178.4° | 177.0° |
| C16 | C15 | C25 | C26 | 69.0° | 79.1° |
| C16 | C15 | C35 | O36 | 75.7° | 179.9° |
| C16 | C15 | C35 | O38 | 103.0° | 0.1° |
| C16 | C15 | C25 | H22 | 52.2° | 157.5° |
| C16 | C15 | C25 | H23 | 169.9° | 48.9° |
| C15 | C16 | N24 | H55 | 1.6° | 3.3° |
| C25 | C15 | C16 | C17 | 4.3° | 1.8° |
| C25 | C15 | C16 | N24 | 179.0° | 177.2° |
| C15 | C25 | C26 | H22 | 121.2° | 123.5° |
| C15 | C25 | C26 | H23 | 121.2° | 128.2° |
| C15 | C25 | C26 | C27 | 168.7° | 14.3° |
| C15 | C25 | C26 | C32 | 44.3° | 111.8° |
| C25 | C15 | C35 | O36 | 155.5° | 48.9° |
| C25 | C15 | C35 | O38 | 25.8° | 131.1° |
| C15 | C25 | H22 | H23 | 116.3° | 114.0° |
| C15 | C25 | C26 | H24 | 75.8° | 131.4° |
| C35 | C15 | C16 | C17 | 116.8° | 129.1° |
| C35 | C15 | C16 | N24 | 59.9° | 52.0° |
| C35 | C15 | C25 | C26 | 172.5° | 49.6° |
| C15 | C35 | O36 | O38 | 178.7° | 180.0° |
| C15 | C35 | O36 | C37 | 172.6° | 180.0° |
| C35 | C15 | C25 | H22 | 66.3° | 73.9° |
| C35 | C15 | C25 | H23 | 51.3° | 177.6° |
| C16 | C17 | C18 | C34 | 177.7° | 179.9° |
| C16 | C17 | C18 | C19 | 178.5° | 179.4° |
| C16 | C17 | C18 | C23 | 0.6° | 0.4° |
| C17 | C16 | N24 | C23 | 1.1° | 2.1° |
| C16 | C17 | C34 | N33 | 77.3° | 70.5° |
| C16 | C17 | C34 | H35 | 162.3° | 52.8° |
| C16 | C17 | C34 | H36 | 43.2° | 169.2° |
| C17 | C16 | N24 | H55 | 178.9° | 177.6° |
| N24 | C16 | C17 | C18 | 1.0° | 1.0° |
| N24 | C16 | C17 | C34 | 178.8° | 178.9° |
| C16 | N24 | C23 | C18 | 0.7° | 2.3° |
| C16 | N24 | C23 | C22 | 179.5° | 177.0° |
| C16 | N24 | C23 | H55 | 180.0° | 179.6° |
| C17 | C18 | C19 | C23 | 179.0° | 178.9° |
| C17 | C18 | C19 | C20 | 179.2° | 177.6° |
| C17 | C18 | C23 | C22 | 179.0° | 177.8° |
| C17 | C18 | C23 | N24 | 0.1° | 1.6° |
| C18 | C17 | C34 | N33 | 100.1° | 109.3° |
| C17 | C18 | C19 | H18 | 0.8° | 2.4° |
| C18 | C17 | C34 | H35 | 20.4° | 127.3° |
| C18 | C17 | C34 | H36 | 139.5° | 11.0° |
| C34 | C17 | C18 | C19 | 0.8° | 0.7° |
| C34 | C17 | C18 | C23 | 178.3° | 179.7° |
| C17 | C34 | N33 | C31 | 179.8° | 25.2° |
| C17 | C34 | N33 | C32 | 55.8° | 111.0° |
| C17 | C34 | N33 | H35 | 120.4° | 123.5° |
| C17 | C34 | N33 | H36 | 120.5° | 120.5° |
| C17 | C34 | H35 | H36 | 118.7° | 116.7° |
| C18 | C19 | C20 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.3° | 0.4° |
| C19 | C18 | C23 | C22 | 1.8° | 1.3° |
| C19 | C18 | C23 | N24 | 179.3° | 179.3° |
| C18 | C19 | C20 | H19 | 178.8° | 179.2° |
| C23 | C18 | C19 | C20 | 1.9° | 1.3° |
| C18 | C23 | C22 | C21 | 1.2° | 0.4° |
| C18 | C23 | C22 | N24 | 178.6° | 179.2° |
| C23 | C18 | C19 | H18 | 178.1° | 178.7° |
| C18 | C23 | C22 | H21 | 178.9° | 179.2° |
| C18 | C23 | N24 | H55 | 179.3° | 177.4° |
| C19 | C20 | C21 | H19 | 180.0° | 179.6° |
| C19 | C20 | C21 | C22 | 0.6° | 0.5° |
| C19 | C20 | C21 | H20 | 179.4° | 179.3° |
| C20 | C21 | C22 | H20 | 180.0° | 179.8° |
| C20 | C21 | C22 | C23 | 0.6° | 0.4° |
| C21 | C20 | C19 | H18 | 178.7° | 179.6° |
| C20 | C21 | C22 | H21 | 179.4° | 179.9° |
| C21 | C22 | C23 | H21 | 180.0° | 179.7° |
| C21 | C22 | C23 | N24 | 179.8° | 179.7° |
| C22 | C21 | C20 | H19 | 179.4° | 179.9° |
| C23 | C22 | C21 | H20 | 179.4° | 179.3° |
| C22 | C23 | N24 | H55 | 0.5° | 3.3° |
| N24 | C23 | C22 | H21 | 0.2° | 0.0° |
| C25 | C26 | C27 | C32 | 128.5° | 130.7° |
| C25 | C26 | C27 | H24 | 115.0° | 117.5° |
| C25 | C26 | C32 | H24 | 119.6° | 117.8° |
| C25 | C26 | C27 | C28 | 109.9° | 98.8° |
| C25 | C26 | C32 | N33 | 67.3° | 69.6° |
| C26 | C25 | H22 | H23 | 116.3° | 113.4° |
| C25 | C26 | C27 | H25 | 70.1° | 84.5° |
| C25 | C26 | C32 | H33 | 171.5° | 170.9° |
| C25 | C26 | C32 | H34 | 54.0° | 50.3° |
| C27 | C26 | C32 | H24 | 116.5° | 112.8° |
| C26 | C27 | C28 | H25 | 180.0° | 176.8° |
| C26 | C27 | C28 | C29 | 169.9° | 179.3° |
| C26 | C27 | C28 | C31 | 3.7° | 1.4° |
| C27 | C26 | C32 | N33 | 56.7° | 59.7° |
| C27 | C26 | C25 | H22 | 47.5° | 109.3° |
| C27 | C26 | C25 | H23 | 70.1° | 142.5° |
| C27 | C26 | C32 | H33 | 64.6° | 59.8° |
| C27 | C26 | C32 | H34 | 177.9° | 179.7° |
| C32 | C26 | C27 | C28 | 18.6° | 31.9° |
| C26 | C32 | N33 | C31 | 70.3° | 62.1° |
| C26 | C32 | N33 | H33 | 121.2° | 119.0° |
| C26 | C32 | N33 | H34 | 121.3° | 119.5° |
| C26 | C32 | N33 | C34 | 58.9° | 76.6° |
| C32 | C26 | C25 | H22 | 76.9° | 124.6° |
| C32 | C26 | C25 | H23 | 165.5° | 16.4° |
| C32 | C26 | C27 | H25 | 161.4° | 144.8° |
| C26 | C32 | H33 | H34 | 116.0° | 120.2° |
| C27 | C28 | C29 | C31 | 173.9° | 179.4° |
| C27 | C28 | C29 | C30 | 23.7° | 95.0° |
| C27 | C28 | C31 | N33 | 17.7° | 0.3° |
| C28 | C27 | C26 | H24 | 135.1° | 143.7° |
| C27 | C28 | C29 | H26 | 144.2° | 145.0° |
| C27 | C28 | C29 | H27 | 96.7° | 24.9° |
| C27 | C28 | C31 | H31 | 138.1° | 120.7° |
| C27 | C28 | C31 | H32 | 102.6° | 121.0° |
| C28 | C29 | C30 | H26 | 120.4° | 120.0° |
| C28 | C29 | C30 | H27 | 120.4° | 120.0° |
| C29 | C28 | C31 | N33 | 155.9° | 179.0° |
| C29 | C28 | C27 | H25 | 10.1° | 4.0° |
| C28 | C29 | H26 | H27 | 118.7° | 120.0° |
| C28 | C29 | C30 | H28 | 180.0° | 180.0° |
| C28 | C29 | C30 | H29 | 60.0° | 60.0° |
| C28 | C29 | C30 | H30 | 60.0° | 60.0° |
| C29 | C28 | C31 | H31 | 35.5° | 60.0° |
| C29 | C28 | C31 | H32 | 83.8° | 58.3° |
| C31 | C28 | C29 | C30 | 162.4° | 84.3° |
| C28 | C31 | N33 | H31 | 120.4° | 121.1° |
| C28 | C31 | N33 | H32 | 120.4° | 120.7° |
| C28 | C31 | N33 | C32 | 45.6° | 30.5° |
| C28 | C31 | N33 | C34 | 84.9° | 104.3° |
| C31 | C28 | C27 | H25 | 176.2° | 175.4° |
| C31 | C28 | C29 | H26 | 42.0° | 35.6° |
| C31 | C28 | C29 | H27 | 77.2° | 155.7° |
| C28 | C31 | H31 | H32 | 118.8° | 118.2° |
| C30 | C29 | H26 | H27 | 118.7° | 120.0° |
| C29 | C30 | H28 | H29 | 120.0° | 119.9° |
| C29 | C30 | H28 | H30 | 120.0° | 120.0° |
| C29 | C30 | H29 | H30 | 120.0° | 120.0° |
| C31 | N33 | C32 | C34 | 129.2° | 138.8° |
| N33 | C31 | H31 | H32 | 118.8° | 118.2° |
| C31 | N33 | C32 | H33 | 51.0° | 56.9° |
| C31 | N33 | C32 | H34 | 168.5° | 178.3° |
| C31 | N33 | C34 | H35 | 59.8° | 148.7° |
| C31 | N33 | C34 | H36 | 59.3° | 95.4° |
| N33 | C32 | C26 | H24 | 173.1° | 172.5° |
| C32 | N33 | C31 | H31 | 166.0° | 151.6° |
| C32 | N33 | C31 | H32 | 74.7° | 90.2° |
| N33 | C32 | H33 | H34 | 116.0° | 121.5° |
| C32 | N33 | C34 | H35 | 176.2° | 12.5° |
| C32 | N33 | C34 | H36 | 64.7° | 128.4° |
| C34 | N33 | C31 | H31 | 35.5° | 16.7° |
| C34 | N33 | C31 | H32 | 154.7° | 135.0° |
| C34 | N33 | C32 | H33 | 179.9° | 164.4° |
| C34 | N33 | C32 | H34 | 62.4° | 42.9° |
| N33 | C34 | H35 | H36 | 118.7° | 116.1° |
| C35 | O36 | C37 | H37 | 180.0° | 180.0° |
| C35 | O36 | C37 | H38 | 60.0° | 60.0° |
| C35 | O36 | C37 | H39 | 60.0° | 60.1° |
| O38 | C35 | O36 | C37 | 6.1° | 0.0° |
| O36 | C37 | H37 | H38 | 120.0° | 120.1° |
| O36 | C37 | H37 | H39 | 120.0° | 120.0° |
| O36 | C37 | H38 | H39 | 120.0° | 120.0° |
| C42 | C39 | O40 | C41 | 33.4° | 0.0° |
| C39 | C42 | C43 | H43 | 180.0° | 179.8° |
| C39 | C42 | C43 | N44 | 179.5° | 177.9° |
| O40 | C39 | C42 | C43 | 179.6° | 179.9° |
| C39 | O40 | C41 | H40 | 180.0° | 60.0° |
| C39 | O40 | C41 | H41 | 60.0° | 180.0° |
| C39 | O40 | C41 | H42 | 60.0° | 60.0° |
| O40 | C39 | C42 | H43 | 0.4° | 0.1° |
| O40 | C41 | H40 | H41 | 120.0° | 120.0° |
| O40 | C41 | H40 | H42 | 120.0° | 120.0° |
| O40 | C41 | H41 | H42 | 120.0° | 120.0° |
| C42 | C43 | N44 | C45 | 35.3° | 79.0° |
| C42 | C43 | N44 | C46 | 150.9° | 155.0° |
| C43 | N44 | C45 | C46 | 170.5° | 119.2° |
| C43 | N44 | C46 | C47 | 158.4° | 169.5° |
| N44 | C43 | C42 | H43 | 0.5° | 1.9° |
| C43 | N44 | C45 | H44 | 180.0° | 59.9° |
| C43 | N44 | C45 | H45 | 60.0° | 179.9° |
| C43 | N44 | C45 | H46 | 60.0° | 60.1° |
| C43 | N44 | C46 | H47 | 51.7° | 71.0° |
| C45 | N44 | C46 | C47 | 29.1° | 45.1° |
| N44 | C45 | H44 | H45 | 120.0° | 120.0° |
| N44 | C45 | H44 | H46 | 120.0° | 120.0° |
| N44 | C45 | H45 | H46 | 120.0° | 120.0° |
| C45 | N44 | C46 | H47 | 135.7° | 164.6° |
| C47 | C46 | N44 | H47 | 106.7° | 119.5° |
| C46 | C47 | C48 | C53 | 113.4° | 115.2° |
| C46 | C47 | C48 | O52 | 131.5° | 125.0° |
| C46 | C47 | C53 | O52 | 126.5° | 124.1° |
| C46 | C47 | C48 | O49 | 57.5° | 155.0° |
| C46 | C47 | C48 | O51 | 118.6° | 25.0° |
| C46 | C47 | C53 | O54 | 158.4° | 159.9° |
| C46 | C47 | C53 | H51 | 40.4° | 84.0° |
| C46 | C47 | O52 | H57 | 120.1° | 179.9° |
| N44 | C46 | C47 | C48 | 17.9° | 52.4° |
| N44 | C46 | C47 | C53 | 137.4° | 168.7° |
| N44 | C46 | C47 | O52 | 106.0° | 69.3° |
| C46 | N44 | C45 | H44 | 9.5° | 179.0° |
| C46 | N44 | C45 | H45 | 110.5° | 61.0° |
| C46 | N44 | C45 | H46 | 129.5° | 59.0° |
| C48 | C47 | C53 | O52 | 115.5° | 118.5° |
| C47 | C48 | O49 | O51 | 176.1° | 180.0° |
| C47 | C48 | O49 | C50 | 158.3° | 180.0° |
| C48 | C47 | C53 | O54 | 40.3° | 82.8° |
| C48 | C47 | C46 | H47 | 88.0° | 66.6° |
| C48 | C47 | C53 | H51 | 77.6° | 33.3° |
| C48 | C47 | O52 | H57 | 5.5° | 57.8° |
| C53 | C47 | C48 | O49 | 55.9° | 89.8° |
| C53 | C47 | C48 | O51 | 128.0° | 90.2° |
| C47 | C53 | O54 | H51 | 116.7° | 116.4° |
| C47 | C53 | O54 | C55 | 109.9° | 83.2° |
| C53 | C47 | C46 | H47 | 31.6° | 49.7° |
| C53 | C47 | O52 | H57 | 125.0° | 60.4° |
| C47 | C53 | C03 | C10 | 32.4° | 4.7° |
| O52 | C47 | C48 | O49 | 171.0° | 30.0° |
| O52 | C47 | C48 | O51 | 12.9° | 149.9° |
| O52 | C47 | C53 | O54 | 75.1° | 35.7° |
| O52 | C47 | C46 | H47 | 148.2° | 171.7° |
| O52 | C47 | C53 | H51 | 166.9° | 151.8° |
| C48 | O49 | C50 | H48 | 180.0° | 59.9° |
| C48 | O49 | C50 | H49 | 60.0° | 180.0° |
| C48 | O49 | C50 | H50 | 60.0° | 60.0° |
| O51 | C48 | O49 | C50 | 25.6° | 0.0° |
| O49 | C50 | H48 | H49 | 120.0° | 120.0° |
| O49 | C50 | H48 | H50 | 120.0° | 119.9° |
| O49 | C50 | H49 | H50 | 120.0° | 120.0° |
| C53 | O54 | C55 | C56 | 168.7° | 180.0° |
| C53 | O54 | C55 | O57 | 11.5° | 0.1° |
| O54 | C53 | C03 | C10 | 161.0° | 126.5° |
| C56 | C55 | O54 | O57 | 179.8° | 179.9° |
| C55 | C56 | H52 | H53 | 120.0° | 120.0° |
| C55 | C56 | H52 | H54 | 120.0° | 119.9° |
| C55 | C56 | H53 | H54 | 120.0° | 120.0° |
| C55 | O54 | C53 | H51 | 6.8° | 33.2° |
| O54 | C55 | C56 | H52 | 179.8° | 90.0° |
| O54 | C55 | C56 | H53 | 59.8° | 150.0° |
| O54 | C55 | C56 | H54 | 60.2° | 30.0° |
| O57 | C55 | C56 | H52 | 0.0° | 90.1° |
| O57 | C55 | C56 | H53 | 120.0° | 30.0° |
| O57 | C55 | C56 | H54 | 120.0° | 150.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.3° | 65.4° |
| H1 | C01 | C02 | H5 | 59.3° | 54.6° |
| H2 | C01 | C02 | H4 | 60.7° | 54.6° |
| H2 | C01 | C02 | H5 | 179.3° | 174.7° |
| H3 | C01 | C02 | H4 | 179.4° | 174.5° |
| H3 | C01 | C02 | H5 | 60.7° | 65.4° |
| H4 | C02 | C03 | C10 | 53.7° | 55.5° |
| H5 | C02 | C03 | C10 | 172.3° | 175.6° |
| H7 | C04 | C05 | H9 | 26.1° | 0.0° |
| H7 | C04 | C03 | C10 | 153.4° | 151.1° |
| H9 | C05 | C06 | H10 | 55.8° | 87.5° |
| H9 | C05 | C06 | H58 | 62.3° | 29.6° |
| H11 | C08 | C09 | H13 | 146.9° | 155.7° |
| H11 | C08 | C09 | H14 | 26.2° | 34.0° |
| H12 | C08 | C09 | H13 | 25.1° | 33.3° |
| H12 | C08 | C09 | H14 | 95.6° | 88.4° |
| H18 | C19 | C20 | H19 | 1.2° | 0.8° |
| H19 | C20 | C21 | H20 | 0.6° | 0.3° |
| H20 | C21 | C22 | H21 | 0.5° | 0.4° |
| H22 | C25 | C26 | H24 | 163.0° | 7.9° |
| H23 | C25 | C26 | H24 | 45.4° | 100.4° |
| H24 | C26 | C27 | H25 | 44.9° | 33.0° |
| H24 | C26 | C32 | H33 | 51.9° | 53.0° |
| H24 | C26 | C32 | H34 | 65.6° | 67.6° |
| H26 | C29 | C30 | H28 | 59.6° | 60.0° |
| H26 | C29 | C30 | H29 | 179.6° | 180.0° |
| H26 | C29 | C30 | H30 | 60.4° | 60.0° |
| H27 | C29 | C30 | H28 | 59.6° | 60.0° |
| H27 | C29 | C30 | H29 | 60.4° | 59.9° |
| H27 | C29 | C30 | H30 | 179.6° | 180.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.1° |
| H37 | C37 | H38 | H39 | 120.0° | 119.9° |
| H40 | C41 | H41 | H42 | 120.0° | 120.0° |
| H44 | C45 | H45 | H46 | 120.0° | 120.0° |
| H48 | C50 | H49 | H50 | 120.0° | 120.0° |
| H51 | C53 | C03 | C10 | 82.5° | 117.1° |
| H52 | C56 | H53 | H54 | 120.0° | 120.0° |
