X8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C37 | doub | 1.37Å | 1.40Å | Aromatic |
| C35 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.37Å | 1.40Å | Aromatic |
| C50 | C48 | sing | 1.51Å | 1.55Å | |
| C38 | N06 | doub | 1.34Å | 1.35Å | Aromatic |
| C46 | C48 | doub | 1.39Å | 1.40Å | Aromatic |
| C46 | C49 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | N08 | sing | 1.35Å | 1.41Å | Aromatic |
| C36 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.37Å | 1.41Å | Aromatic |
| C49 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| N06 | C29 | sing | 1.36Å | 1.36Å | Aromatic |
| N06 | RU01 | sing | 2.35Å | 1.97Å | |
| C01 | N01 | sing | 1.37Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.37Å | 1.40Å | Aromatic |
| N08 | C44 | doub | 1.33Å | 1.35Å | Aromatic |
| N08 | RU01 | sing | 1.65Å | 2.23Å | |
| C29 | C27 | sing | 1.49Å | 1.01Å | |
| N01 | C23 | doub | 1.36Å | 1.41Å | Aromatic |
| N01 | RU01 | sing | 3.18Å | 2.20Å | |
| C04 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.52Å | 1.55Å | |
| C47 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C44 | C40 | sing | 1.49Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| RU01 | N04 | sing | 1.85Å | 2.03Å | |
| RU01 | N07 | sing | 2.12Å | 2.11Å | |
| RU01 | N05 | sing | 2.28Å | 2.04Å | |
| C05 | N02 | sing | 1.47Å | 1.47Å | |
| C27 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | N04 | sing | 1.34Å | 1.36Å | Aromatic |
| C22 | C19 | sing | 1.52Å | 1.51Å | |
| C26 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | C06 | doub | 1.24Å | 1.21Å | |
| N04 | C28 | doub | 1.35Å | 1.36Å | Aromatic |
| C40 | N07 | doub | 1.36Å | 1.35Å | Aromatic |
| C40 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | O03 | sing | 1.49Å | 1.43Å | |
| N07 | C41 | sing | 1.34Å | 1.38Å | Aromatic |
| N02 | C06 | sing | 1.34Å | 1.48Å | |
| C43 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.52Å | 1.55Å | |
| N05 | C33 | doub | 1.35Å | 1.37Å | Aromatic |
| N05 | C30 | sing | 1.35Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C30 | sing | 1.50Å | 1.16Å | |
| C28 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C41 | C45 | sing | 1.50Å | 1.54Å | |
| C41 | C42 | doub | 1.39Å | 1.40Å | Aromatic |
| O03 | C18 | sing | 1.35Å | 1.43Å | |
| C33 | C31 | sing | 1.37Å | 1.40Å | Aromatic |
| C30 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C39 | C42 | sing | 1.38Å | 1.49Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | S01 | sing | 1.82Å | 1.81Å | |
| C18 | N03 | sing | 1.36Å | 1.47Å | |
| C18 | O02 | doub | 1.22Å | 1.20Å | |
| S01 | C09 | sing | 1.81Å | 1.81Å | |
| C31 | C34 | doub | 1.37Å | 1.40Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| N03 | C10 | sing | 1.47Å | 1.47Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.55Å | 1.55Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.37Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 0.98Å | 1.10Å | |
| C11 | H2 | sing | 0.98Å | 1.10Å | |
| C11 | H3 | sing | 0.98Å | 1.10Å | |
| C13 | H4 | sing | 0.94Å | 1.08Å | |
| C14 | H5 | sing | 0.94Å | 1.08Å | |
| C15 | H6 | sing | 0.94Å | 1.08Å | |
| C16 | H7 | sing | 0.94Å | 1.08Å | |
| C17 | H8 | sing | 0.94Å | 1.08Å | |
| C20 | H9 | sing | 0.97Å | 1.10Å | |
| C20 | H10 | sing | 0.97Å | 1.10Å | |
| C20 | H11 | sing | 0.97Å | 1.10Å | |
| C21 | H12 | sing | 0.97Å | 1.10Å | |
| C21 | H13 | sing | 0.97Å | 1.10Å | |
| C21 | H14 | sing | 0.97Å | 1.10Å | |
| C22 | H15 | sing | 0.97Å | 1.10Å | |
| C22 | H16 | sing | 0.97Å | 1.10Å | |
| C22 | H17 | sing | 0.97Å | 1.10Å | |
| C23 | H18 | sing | 0.91Å | 1.08Å | |
| C24 | H19 | sing | 0.95Å | 1.08Å | |
| C25 | H20 | sing | 0.94Å | 1.08Å | |
| C26 | H21 | sing | 0.94Å | 1.08Å | |
| C01 | H22 | sing | 0.93Å | 1.08Å | |
| C02 | H23 | sing | 0.94Å | 1.08Å | |
| C03 | H24 | sing | 0.95Å | 1.08Å | |
| C05 | H25 | sing | 0.98Å | 1.10Å | |
| C05 | H26 | sing | 0.98Å | 1.10Å | |
| C07 | H27 | sing | 0.98Å | 1.10Å | |
| C07 | H28 | sing | 0.98Å | 1.10Å | |
| C08 | H29 | sing | 0.98Å | 1.10Å | |
| C08 | H30 | sing | 0.98Å | 1.10Å | |
| C09 | H31 | sing | 0.98Å | 1.10Å | |
| C09 | H32 | sing | 0.98Å | 1.10Å | |
| C31 | H33 | sing | 0.94Å | 1.08Å | |
| C32 | H34 | sing | 0.94Å | 1.08Å | |
| C33 | H35 | sing | 0.94Å | 1.08Å | |
| C34 | H36 | sing | 0.94Å | 1.08Å | |
| C35 | H37 | sing | 0.94Å | 1.08Å | |
| C36 | H38 | sing | 0.94Å | 1.08Å | |
| C37 | H39 | sing | 0.94Å | 1.08Å | |
| C38 | H40 | sing | 0.94Å | 1.08Å | |
| C39 | H41 | sing | 0.95Å | 1.08Å | |
| C42 | H42 | sing | 0.93Å | 1.08Å | |
| C43 | H43 | sing | 0.94Å | 1.08Å | |
| C45 | H44 | sing | 0.97Å | 1.10Å | |
| C45 | H45 | sing | 0.97Å | 1.10Å | |
| C45 | H46 | sing | 0.97Å | 1.10Å | |
| C46 | H47 | sing | 0.93Å | 1.08Å | |
| C47 | H48 | sing | 0.94Å | 1.08Å | |
| C49 | H49 | sing | 0.94Å | 1.08Å | |
| C50 | H50 | sing | 0.97Å | 1.10Å | |
| C50 | H51 | sing | 0.97Å | 1.10Å | |
| C50 | H52 | sing | 0.97Å | 1.10Å | |
| N02 | H53 | sing | 0.89Å | 1.00Å | |
| N03 | H54 | sing | 0.86Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C35 | C38 | 118.2° | 118.6° |
| C35 | C37 | C36 | 119.5° | 119.4° |
| C37 | C35 | H37 | 120.9° | 120.7° |
| C35 | C37 | H39 | 120.2° | 120.4° |
| C35 | C38 | N06 | 122.7° | 123.6° |
| C38 | C35 | H37 | 120.9° | 120.6° |
| C35 | C38 | H40 | 118.7° | 118.2° |
| C37 | C36 | C29 | 119.1° | 119.2° |
| C37 | C36 | H38 | 120.5° | 119.9° |
| C36 | C37 | H39 | 120.2° | 120.2° |
| C50 | C48 | C46 | 108.9° | 121.8° |
| C50 | C48 | N08 | 130.1° | 117.6° |
| C48 | C50 | H50 | 109.5° | 109.9° |
| C48 | C50 | H51 | 109.5° | 109.6° |
| C48 | C50 | H52 | 109.5° | 110.0° |
| C38 | N06 | C29 | 118.9° | 117.0° |
| C38 | N06 | RU01 | 110.8° | 138.5° |
| N06 | C38 | H40 | 118.6° | 117.6° |
| C48 | C46 | C49 | 121.5° | 118.9° |
| C46 | C48 | N08 | 121.0° | 120.6° |
| C48 | C46 | H47 | 119.3° | 120.2° |
| C46 | C49 | C47 | 117.4° | 119.8° |
| C49 | C46 | H47 | 119.3° | 120.9° |
| C46 | C49 | H49 | 121.3° | 120.1° |
| C48 | N08 | C44 | 116.1° | 120.8° |
| C48 | N08 | RU01 | 141.3° | 125.8° |
| C36 | C29 | N06 | 121.6° | 121.8° |
| C36 | C29 | C27 | 130.6° | 123.2° |
| C29 | C36 | H38 | 120.5° | 120.8° |
| C01 | C02 | C03 | 121.0° | 119.2° |
| C02 | C01 | N01 | 119.0° | 125.4° |
| C02 | C01 | H22 | 120.5° | 116.6° |
| C01 | C02 | H23 | 119.5° | 120.5° |
| C02 | C03 | C04 | 120.0° | 119.4° |
| C03 | C02 | H23 | 119.5° | 120.3° |
| C02 | C03 | H24 | 120.0° | 120.4° |
| C49 | C47 | C44 | 120.0° | 118.7° |
| C49 | C47 | H48 | 120.0° | 120.7° |
| C47 | C49 | H49 | 121.3° | 120.2° |
| C29 | N06 | RU01 | 130.3° | 104.0° |
| N06 | C29 | C27 | 107.8° | 114.9° |
| N06 | RU01 | N08 | 126.5° | 131.1° |
| N06 | RU01 | N01 | 97.1° | 76.6° |
| N06 | RU01 | N04 | 62.0° | 76.0° |
| N06 | RU01 | N07 | 114.5° | 87.1° |
| N06 | RU01 | N05 | 135.8° | 152.8° |
| C01 | N01 | C23 | 120.0° | 112.0° |
| C01 | N01 | RU01 | 121.4° | 129.8° |
| N01 | C01 | H22 | 120.5° | 117.8° |
| C03 | C04 | C23 | 118.7° | 117.0° |
| C03 | C04 | C05 | 119.6° | 121.2° |
| C04 | C03 | H24 | 120.0° | 120.2° |
| C44 | N08 | RU01 | 102.6° | 113.1° |
| N08 | C44 | C47 | 124.1° | 121.1° |
| N08 | C44 | C40 | 122.7° | 113.2° |
| N08 | RU01 | N01 | 82.9° | 64.3° |
| N08 | RU01 | N04 | 165.6° | 148.9° |
| N08 | RU01 | N07 | 86.1° | 89.7° |
| N08 | RU01 | N05 | 96.8° | 74.4° |
| C29 | C27 | C26 | 119.9° | 125.0° |
| C29 | C27 | N04 | 117.5° | 113.6° |
| C23 | N01 | RU01 | 118.6° | 105.3° |
| N01 | C23 | C04 | 121.2° | 126.5° |
| N01 | C23 | H18 | 119.4° | 117.0° |
| N01 | RU01 | N04 | 84.5° | 119.4° |
| N01 | RU01 | N07 | 146.7° | 122.1° |
| N01 | RU01 | N05 | 78.1° | 129.8° |
| C23 | C04 | C05 | 121.6° | 121.8° |
| C04 | C23 | H18 | 119.4° | 116.3° |
| C04 | C05 | N02 | 111.1° | 115.0° |
| C04 | C05 | H25 | 109.1° | 109.3° |
| C04 | C05 | H26 | 109.1° | 108.2° |
| C47 | C44 | C40 | 113.3° | 125.2° |
| C44 | C47 | H48 | 120.0° | 120.5° |
| C44 | C40 | N07 | 121.9° | 115.4° |
| C44 | C40 | C43 | 113.8° | 122.0° |
| C20 | C19 | C22 | 108.3° | 111.1° |
| C20 | C19 | C21 | 109.4° | 111.6° |
| C20 | C19 | O03 | 109.1° | 112.9° |
| C19 | C20 | H9 | 109.5° | 109.8° |
| C19 | C20 | H10 | 109.4° | 110.0° |
| C19 | C20 | H11 | 109.5° | 109.8° |
| N04 | RU01 | N07 | 100.9° | 109.2° |
| N04 | RU01 | N05 | 73.8° | 83.4° |
| RU01 | N04 | C27 | 122.5° | 118.4° |
| RU01 | N04 | C28 | 119.6° | 114.2° |
| N07 | RU01 | N05 | 72.2° | 83.0° |
| RU01 | N07 | C40 | 106.7° | 93.0° |
| RU01 | N07 | C41 | 134.1° | 132.2° |
| RU01 | N05 | C33 | 130.4° | 136.5° |
| RU01 | N05 | C30 | 110.3° | 102.3° |
| C05 | N02 | C06 | 120.8° | 125.8° |
| N02 | C05 | H25 | 109.1° | 108.8° |
| N02 | C05 | H26 | 109.1° | 108.1° |
| C05 | N02 | H53 | 119.6° | 115.4° |
| C26 | C27 | N04 | 122.6° | 121.3° |
| C27 | C26 | C24 | 119.3° | 118.9° |
| C27 | C26 | H21 | 120.3° | 121.0° |
| C27 | N04 | C28 | 117.9° | 119.6° |
| C22 | C19 | C21 | 110.2° | 110.7° |
| C22 | C19 | O03 | 108.0° | 99.9° |
| C19 | C22 | H15 | 109.5° | 109.8° |
| C19 | C22 | H16 | 109.5° | 110.1° |
| C19 | C22 | H17 | 109.5° | 109.7° |
| C26 | C24 | C25 | 118.5° | 119.6° |
| C26 | C24 | H19 | 120.7° | 120.3° |
| C24 | C26 | H21 | 120.4° | 120.0° |
| O01 | C06 | N02 | 120.8° | 122.8° |
| O01 | C06 | C07 | 119.9° | 119.4° |
| N04 | C28 | C30 | 109.0° | 116.3° |
| N04 | C28 | C25 | 122.0° | 121.5° |
| N07 | C40 | C43 | 124.2° | 122.1° |
| C40 | N07 | C41 | 119.1° | 118.3° |
| C40 | C43 | C39 | 120.2° | 119.0° |
| C40 | C43 | H43 | 119.9° | 120.2° |
| C21 | C19 | O03 | 111.8° | 110.1° |
| C19 | C21 | H12 | 109.5° | 109.7° |
| C19 | C21 | H13 | 109.5° | 110.0° |
| C19 | C21 | H14 | 109.4° | 109.7° |
| C19 | O03 | C18 | 114.6° | 126.1° |
| N07 | C41 | C45 | 122.9° | 116.7° |
| N07 | C41 | C42 | 120.1° | 121.6° |
| N02 | C06 | C07 | 119.3° | 117.6° |
| C06 | N02 | H53 | 119.6° | 118.8° |
| C43 | C39 | C42 | 115.0° | 119.1° |
| C43 | C39 | H41 | 122.5° | 120.4° |
| C39 | C43 | H43 | 119.9° | 120.8° |
| C06 | C07 | C08 | 116.5° | 115.7° |
| C06 | C07 | H27 | 107.7° | 108.8° |
| C06 | C07 | H28 | 107.7° | 108.8° |
| C33 | N05 | C30 | 119.3° | 117.1° |
| N05 | C33 | C31 | 121.7° | 124.0° |
| N05 | C33 | H35 | 119.2° | 117.9° |
| N05 | C30 | C28 | 127.4° | 116.1° |
| N05 | C30 | C32 | 121.0° | 121.5° |
| C24 | C25 | C28 | 119.7° | 118.8° |
| C25 | C24 | H19 | 120.8° | 120.1° |
| C24 | C25 | H20 | 120.2° | 120.5° |
| C30 | C28 | C25 | 129.0° | 121.8° |
| C28 | C30 | C32 | 111.7° | 122.0° |
| C28 | C25 | H20 | 120.2° | 120.6° |
| C45 | C41 | C42 | 117.0° | 121.6° |
| C41 | C45 | H44 | 109.5° | 109.7° |
| C41 | C45 | H45 | 109.5° | 109.7° |
| C41 | C45 | H46 | 109.5° | 109.7° |
| C41 | C42 | C39 | 121.3° | 119.4° |
| C41 | C42 | H42 | 119.4° | 120.1° |
| O03 | C18 | N03 | 121.0° | 110.0° |
| O03 | C18 | O02 | 119.1° | 126.0° |
| C33 | C31 | C34 | 119.4° | 118.3° |
| C33 | C31 | H33 | 120.3° | 120.7° |
| C31 | C33 | H35 | 119.2° | 118.1° |
| C30 | C32 | C34 | 120.1° | 119.5° |
| C30 | C32 | H34 | 119.9° | 120.3° |
| C42 | C39 | H41 | 122.5° | 120.5° |
| C39 | C42 | H42 | 119.4° | 120.5° |
| C07 | C08 | S01 | 105.4° | 117.2° |
| C08 | C07 | H27 | 107.7° | 108.8° |
| C08 | C07 | H28 | 107.7° | 108.7° |
| C07 | C08 | H29 | 110.5° | 108.0° |
| C07 | C08 | H30 | 110.5° | 108.1° |
| C08 | S01 | C09 | 108.0° | 105.9° |
| S01 | C08 | H29 | 110.5° | 108.0° |
| S01 | C08 | H30 | 110.5° | 108.0° |
| N03 | C18 | O02 | 119.9° | 124.1° |
| C18 | N03 | C10 | 120.7° | 124.0° |
| C18 | N03 | H54 | 119.6° | 118.5° |
| S01 | C09 | C10 | 111.2° | 114.7° |
| S01 | C09 | H31 | 109.0° | 108.1° |
| S01 | C09 | H32 | 109.0° | 107.5° |
| C31 | C34 | C32 | 118.5° | 119.4° |
| C34 | C31 | H33 | 120.3° | 121.0° |
| C31 | C34 | H36 | 120.7° | 120.4° |
| C34 | C32 | H34 | 119.9° | 120.1° |
| C32 | C34 | H36 | 120.7° | 120.3° |
| N03 | C10 | C09 | 107.8° | 112.1° |
| N03 | C10 | C11 | 111.6° | 109.4° |
| N03 | C10 | H1 | 109.3° | 107.7° |
| C10 | N03 | H54 | 119.6° | 117.4° |
| C09 | C10 | C11 | 111.3° | 113.9° |
| C09 | C10 | H1 | 108.4° | 106.5° |
| C10 | C09 | H31 | 109.0° | 109.2° |
| C10 | C09 | H32 | 109.1° | 109.6° |
| C10 | C11 | C12 | 116.5° | 120.3° |
| C11 | C10 | H1 | 108.3° | 106.9° |
| C10 | C11 | H2 | 107.7° | 107.4° |
| C10 | C11 | H3 | 107.7° | 108.0° |
| C16 | C17 | C12 | 120.1° | 121.0° |
| C17 | C16 | C15 | 120.0° | 120.2° |
| C17 | C16 | H7 | 120.0° | 119.8° |
| C16 | C17 | H8 | 119.9° | 119.6° |
| C17 | C12 | C11 | 120.1° | 120.7° |
| C17 | C12 | C13 | 119.5° | 117.9° |
| C12 | C17 | H8 | 119.9° | 119.4° |
| C16 | C15 | C14 | 120.1° | 119.9° |
| C16 | C15 | H6 | 119.9° | 120.0° |
| C15 | C16 | H7 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.3° | 121.4° |
| C12 | C11 | H2 | 107.7° | 107.8° |
| C12 | C11 | H3 | 107.7° | 107.4° |
| C12 | C13 | C14 | 120.5° | 120.8° |
| C12 | C13 | H4 | 119.7° | 119.5° |
| C15 | C14 | C13 | 119.7° | 120.3° |
| C15 | C14 | H5 | 120.1° | 119.9° |
| C14 | C15 | H6 | 119.9° | 120.1° |
| C14 | C13 | H4 | 119.7° | 119.8° |
| C13 | C14 | H5 | 120.2° | 119.8° |
| H2 | C11 | H3 | 109.5° | 104.8° |
| H9 | C20 | H10 | 109.5° | 109.2° |
| H9 | C20 | H11 | 109.4° | 108.8° |
| H10 | C20 | H11 | 109.5° | 109.1° |
| H12 | C21 | H13 | 109.5° | 109.2° |
| H12 | C21 | H14 | 109.4° | 108.8° |
| H13 | C21 | H14 | 109.5° | 109.3° |
| H15 | C22 | H16 | 109.5° | 109.2° |
| H15 | C22 | H17 | 109.5° | 108.8° |
| H16 | C22 | H17 | 109.5° | 109.2° |
| H25 | C05 | H26 | 109.5° | 107.2° |
| H27 | C07 | H28 | 109.4° | 105.5° |
| H29 | C08 | H30 | 109.5° | 107.1° |
| H31 | C09 | H32 | 109.5° | 107.5° |
| H44 | C45 | H45 | 109.5° | 108.9° |
| H44 | C45 | H46 | 109.5° | 109.4° |
| H45 | C45 | H46 | 109.4° | 109.5° |
| H50 | C50 | H51 | 109.5° | 108.9° |
| H50 | C50 | H52 | 109.5° | 109.6° |
| H51 | C50 | H52 | 109.4° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C35 | C38 | H37 | 180.0° | 178.5° |
| C35 | C37 | C36 | H39 | 180.0° | 180.0° |
| C37 | C35 | C38 | N06 | 0.1° | 6.2° |
| C35 | C37 | C36 | C29 | 0.0° | 0.2° |
| C35 | C37 | C36 | H38 | 180.0° | 179.4° |
| C37 | C35 | C38 | H40 | 179.9° | 177.2° |
| C38 | C35 | C37 | C36 | 0.1° | 1.8° |
| C35 | C38 | N06 | H40 | 180.0° | 171.1° |
| C35 | C38 | N06 | C29 | 0.0° | 8.0° |
| C35 | C38 | N06 | RU01 | 179.8° | 161.5° |
| C38 | C35 | C37 | H39 | 179.8° | 178.2° |
| C37 | C36 | C29 | H38 | 180.0° | 179.6° |
| C37 | C36 | C29 | N06 | 0.2° | 1.8° |
| C37 | C36 | C29 | C27 | 179.8° | 177.9° |
| C36 | C37 | C35 | H37 | 179.9° | 179.6° |
| C50 | C48 | C46 | N08 | 180.0° | 179.1° |
| C50 | C48 | C46 | C49 | 179.8° | 179.9° |
| C50 | C48 | N08 | C44 | 179.6° | 179.4° |
| C50 | C48 | N08 | RU01 | 1.0° | 5.3° |
| C50 | C48 | C46 | H47 | 0.2° | 2.8° |
| C48 | C50 | H50 | H51 | 120.0° | 120.1° |
| C48 | C50 | H50 | H52 | 120.0° | 121.0° |
| C48 | C50 | H51 | H52 | 120.0° | 120.3° |
| C38 | N06 | C29 | C36 | 0.2° | 5.7° |
| C38 | N06 | C29 | RU01 | 179.7° | 172.8° |
| C38 | N06 | RU01 | N08 | 13.6° | 32.7° |
| C38 | N06 | C29 | C27 | 179.9° | 174.1° |
| C38 | N06 | RU01 | N01 | 100.0° | 69.5° |
| C38 | N06 | RU01 | N04 | 179.9° | 165.0° |
| C38 | N06 | RU01 | N07 | 90.5° | 54.4° |
| C38 | N06 | RU01 | N05 | 179.7° | 123.2° |
| N06 | C38 | C35 | H37 | 179.9° | 175.3° |
| C48 | C46 | C49 | H47 | 180.0° | 177.3° |
| C48 | C46 | C49 | C47 | 0.1° | 1.6° |
| C46 | C48 | N08 | C44 | 0.4° | 1.4° |
| C46 | C48 | N08 | RU01 | 179.0° | 175.6° |
| C48 | C46 | C49 | H49 | 179.9° | 179.0° |
| C46 | C48 | C50 | H50 | 180.0° | 179.9° |
| C46 | C48 | C50 | H51 | 60.0° | 60.4° |
| C46 | C48 | C50 | H52 | 60.0° | 59.2° |
| C49 | C46 | C48 | N08 | 0.2° | 1.0° |
| C46 | C49 | C47 | H49 | 180.0° | 179.4° |
| C46 | C49 | C47 | C44 | 0.2° | 3.9° |
| C46 | C49 | C47 | H48 | 179.8° | 179.9° |
| C48 | N08 | RU01 | N06 | 62.1° | 119.3° |
| C48 | N08 | C44 | RU01 | 179.6° | 174.8° |
| C48 | N08 | RU01 | N01 | 31.5° | 79.0° |
| C48 | N08 | C44 | C47 | 0.2° | 0.9° |
| C48 | N08 | C44 | C40 | 179.7° | 172.9° |
| C48 | N08 | RU01 | N04 | 60.3° | 25.9° |
| C48 | N08 | RU01 | N07 | 179.9° | 154.7° |
| C48 | N08 | RU01 | N05 | 108.6° | 71.9° |
| N08 | C48 | C46 | H47 | 179.8° | 176.3° |
| N08 | C48 | C50 | H50 | 0.0° | 0.8° |
| N08 | C48 | C50 | H51 | 120.0° | 120.5° |
| N08 | C48 | C50 | H52 | 120.0° | 119.9° |
| C36 | C29 | N06 | C27 | 179.7° | 179.7° |
| C36 | C29 | N06 | RU01 | 179.9° | 167.2° |
| C36 | C29 | C27 | C26 | 0.3° | 7.0° |
| C36 | C29 | C27 | N04 | 179.9° | 169.3° |
| C29 | C36 | C37 | H39 | 180.0° | 179.8° |
| C01 | C02 | C03 | H23 | 180.0° | 178.5° |
| C02 | C01 | N01 | H22 | 180.0° | 174.3° |
| C01 | C02 | C03 | C04 | 0.2° | 2.0° |
| C02 | C01 | N01 | C23 | 0.8° | 7.5° |
| C02 | C01 | N01 | RU01 | 180.0° | 127.4° |
| C01 | C02 | C03 | H24 | 179.8° | 178.8° |
| C03 | C02 | C01 | N01 | 0.3° | 5.1° |
| C02 | C03 | C04 | H24 | 180.0° | 179.2° |
| C02 | C03 | C04 | C23 | 1.1° | 2.1° |
| C02 | C03 | C04 | C05 | 179.8° | 179.2° |
| C03 | C02 | C01 | H22 | 179.7° | 179.5° |
| C49 | C47 | C44 | N08 | 0.1° | 3.6° |
| C49 | C47 | C44 | H48 | 180.0° | 176.3° |
| C49 | C47 | C44 | C40 | 180.0° | 174.6° |
| C47 | C49 | C46 | H47 | 179.9° | 179.0° |
| C29 | N06 | RU01 | N08 | 166.1° | 137.7° |
| C29 | N06 | RU01 | N01 | 79.7° | 100.8° |
| C29 | N06 | RU01 | N04 | 0.2° | 24.7° |
| C29 | N06 | RU01 | N07 | 89.8° | 135.2° |
| C29 | N06 | RU01 | N05 | 0.6° | 66.5° |
| N06 | C29 | C27 | C26 | 179.9° | 173.2° |
| N06 | C29 | C27 | N04 | 0.5° | 10.4° |
| N06 | C29 | C36 | H38 | 179.8° | 178.6° |
| C29 | N06 | C38 | H40 | 180.0° | 179.1° |
| N06 | RU01 | N01 | C01 | 11.7° | 169.3° |
| N06 | RU01 | N08 | C44 | 118.5° | 66.2° |
| N06 | RU01 | N08 | N01 | 93.6° | 40.4° |
| N06 | RU01 | N08 | N04 | 122.4° | 145.2° |
| N06 | RU01 | N08 | N07 | 117.8° | 85.9° |
| N06 | RU01 | N08 | N05 | 170.7° | 168.8° |
| RU01 | N06 | C29 | C27 | 0.4° | 13.1° |
| N06 | RU01 | N01 | C23 | 169.1° | 32.1° |
| N06 | RU01 | N01 | N04 | 60.8° | 65.1° |
| N06 | RU01 | N01 | N07 | 162.4° | 77.9° |
| N06 | RU01 | N01 | N05 | 135.4° | 172.5° |
| N06 | RU01 | N04 | N07 | 112.1° | 81.9° |
| N06 | RU01 | N04 | N05 | 179.7° | 162.1° |
| N06 | RU01 | N07 | N05 | 132.9° | 154.6° |
| N06 | RU01 | N04 | C27 | 0.1° | 34.1° |
| N06 | RU01 | N04 | C28 | 179.9° | 176.9° |
| N06 | RU01 | N07 | C40 | 129.2° | 98.2° |
| N06 | RU01 | N07 | C41 | 51.5° | 35.3° |
| N06 | RU01 | N05 | C33 | 179.6° | 116.5° |
| N06 | RU01 | N05 | C30 | 0.5° | 38.7° |
| RU01 | N06 | C38 | H40 | 0.2° | 9.6° |
| C01 | N01 | RU01 | N08 | 137.8° | 19.4° |
| C01 | N01 | C23 | RU01 | 179.2° | 145.7° |
| C01 | N01 | C23 | C04 | 2.1° | 7.8° |
| C01 | N01 | RU01 | N04 | 49.1° | 125.6° |
| C01 | N01 | RU01 | N07 | 150.7° | 91.4° |
| C01 | N01 | RU01 | N05 | 123.6° | 18.3° |
| C01 | N01 | C23 | H18 | 177.9° | 177.1° |
| N01 | C01 | C02 | H23 | 179.7° | 176.4° |
| C03 | C04 | C23 | N01 | 2.2° | 5.5° |
| C03 | C04 | C23 | C05 | 178.6° | 177.0° |
| C03 | C04 | C05 | N02 | 135.8° | 57.6° |
| C03 | C04 | C23 | H18 | 177.7° | 179.4° |
| C04 | C03 | C02 | H23 | 179.8° | 179.5° |
| C03 | C04 | C05 | H25 | 15.5° | 179.7° |
| C03 | C04 | C05 | H26 | 104.0° | 63.3° |
| C44 | N08 | RU01 | N01 | 147.9° | 106.5° |
| N08 | C44 | C47 | C40 | 179.9° | 171.0° |
| C44 | N08 | RU01 | N04 | 119.1° | 148.6° |
| C44 | N08 | RU01 | N07 | 0.7° | 19.8° |
| C44 | N08 | RU01 | N05 | 70.8° | 102.6° |
| N08 | C44 | C40 | N07 | 0.3° | 31.5° |
| N08 | C44 | C40 | C43 | 179.8° | 140.6° |
| N08 | C44 | C47 | H48 | 180.0° | 179.8° |
| N08 | RU01 | N01 | C23 | 43.0° | 117.7° |
| N08 | RU01 | N01 | N04 | 173.1° | 145.0° |
| N08 | RU01 | N01 | N07 | 71.5° | 72.0° |
| N08 | RU01 | N01 | N05 | 98.5° | 37.7° |
| RU01 | N08 | C44 | C47 | 179.3° | 173.9° |
| RU01 | N08 | C44 | C40 | 0.7° | 1.9° |
| N08 | RU01 | N04 | N07 | 118.1° | 124.4° |
| N08 | RU01 | N04 | N05 | 50.5° | 44.2° |
| N08 | RU01 | N07 | N05 | 98.5° | 74.3° |
| N08 | RU01 | N04 | C27 | 129.9° | 119.6° |
| N08 | RU01 | N04 | C28 | 50.3° | 29.4° |
| N08 | RU01 | N07 | C40 | 0.6° | 32.9° |
| N08 | RU01 | N07 | C41 | 179.9° | 166.4° |
| N08 | RU01 | N05 | C33 | 11.1° | 44.8° |
| N08 | RU01 | N05 | C30 | 168.7° | 160.0° |
| C29 | C27 | N04 | RU01 | 0.4° | 37.7° |
| C29 | C27 | C26 | N04 | 179.6° | 176.0° |
| C29 | C27 | C26 | C24 | 179.9° | 177.8° |
| C29 | C27 | N04 | C28 | 179.8° | 175.0° |
| C29 | C27 | C26 | H21 | 0.1° | 4.1° |
| C27 | C29 | C36 | H38 | 0.2° | 1.7° |
| N01 | C23 | C04 | H18 | 180.0° | 175.1° |
| N01 | C23 | C04 | C05 | 179.1° | 177.5° |
| C23 | N01 | RU01 | N04 | 130.1° | 97.3° |
| C23 | N01 | RU01 | N07 | 28.5° | 45.7° |
| C23 | N01 | RU01 | N05 | 55.6° | 155.4° |
| C23 | N01 | C01 | H22 | 179.2° | 178.2° |
| RU01 | N01 | C23 | C04 | 178.7° | 137.9° |
| N01 | RU01 | N04 | N07 | 146.8° | 147.3° |
| N01 | RU01 | N04 | N05 | 79.2° | 132.5° |
| N01 | RU01 | N07 | N05 | 27.8° | 133.3° |
| N01 | RU01 | N04 | C27 | 101.2° | 31.3° |
| N01 | RU01 | N04 | C28 | 79.0° | 117.7° |
| N01 | RU01 | N07 | C40 | 70.1° | 26.0° |
| N01 | RU01 | N07 | C41 | 109.3° | 107.5° |
| N01 | RU01 | N05 | C33 | 92.3° | 79.7° |
| N01 | RU01 | N05 | C30 | 87.5° | 125.2° |
| RU01 | N01 | C23 | H18 | 1.3° | 37.2° |
| RU01 | N01 | C01 | H22 | 0.0° | 46.9° |
| C23 | C04 | C05 | N02 | 42.9° | 125.5° |
| C23 | C04 | C03 | H24 | 178.9° | 178.7° |
| C23 | C04 | C05 | H25 | 163.1° | 2.8° |
| C23 | C04 | C05 | H26 | 77.3° | 113.6° |
| C04 | C05 | N02 | H25 | 120.2° | 123.0° |
| C04 | C05 | N02 | H26 | 120.2° | 121.0° |
| C04 | C05 | N02 | C06 | 139.4° | 97.4° |
| C05 | C04 | C23 | H18 | 0.9° | 2.3° |
| C05 | C04 | C03 | H24 | 0.3° | 1.6° |
| C04 | C05 | H25 | H26 | 119.3° | 117.0° |
| C04 | C05 | N02 | H53 | 40.6° | 82.0° |
| C47 | C44 | C40 | N07 | 179.7° | 140.1° |
| C47 | C44 | C40 | C43 | 0.3° | 47.8° |
| C44 | C47 | C49 | H49 | 179.8° | 176.8° |
| C44 | C40 | N07 | RU01 | 0.3° | 38.2° |
| C44 | C40 | N07 | C43 | 179.4° | 172.0° |
| C44 | C40 | N07 | C41 | 179.8° | 179.4° |
| C44 | C40 | C43 | C39 | 179.9° | 178.1° |
| C44 | C40 | C43 | H43 | 0.1° | 4.6° |
| C40 | C44 | C47 | H48 | 0.1° | 9.2° |
| C20 | C19 | C22 | C21 | 119.7° | 124.6° |
| C20 | C19 | C22 | O03 | 118.0° | 119.4° |
| C20 | C19 | C21 | O03 | 120.9° | 126.1° |
| C20 | C19 | O03 | C18 | 152.9° | 62.9° |
| C19 | C20 | H9 | H10 | 120.0° | 120.7° |
| C19 | C20 | H9 | H11 | 120.0° | 120.2° |
| C19 | C20 | H10 | H11 | 120.0° | 120.6° |
| C20 | C19 | C21 | H12 | 180.0° | 58.2° |
| C20 | C19 | C21 | H13 | 60.0° | 62.0° |
| C20 | C19 | C21 | H14 | 60.0° | 177.7° |
| C20 | C19 | C22 | H15 | 180.0° | 178.6° |
| C20 | C19 | C22 | H16 | 60.0° | 61.1° |
| C20 | C19 | C22 | H17 | 60.0° | 59.1° |
| N04 | RU01 | N07 | N05 | 68.8° | 80.5° |
| RU01 | N04 | C27 | C26 | 180.0° | 145.9° |
| RU01 | N04 | C27 | C28 | 179.8° | 147.3° |
| N04 | RU01 | N07 | C40 | 166.7° | 172.3° |
| N04 | RU01 | N07 | C41 | 12.6° | 38.8° |
| N04 | RU01 | N05 | C33 | 180.0° | 157.1° |
| N04 | RU01 | N05 | C30 | 0.1° | 2.0° |
| RU01 | N04 | C28 | C30 | 0.2° | 29.2° |
| RU01 | N04 | C28 | C25 | 179.6° | 143.5° |
| N07 | RU01 | N04 | C27 | 112.0° | 116.0° |
| N07 | RU01 | N04 | C28 | 67.8° | 95.0° |
| RU01 | N07 | C40 | C41 | 179.4° | 142.4° |
| RU01 | N07 | C40 | C43 | 179.0° | 133.9° |
| N07 | RU01 | N05 | C33 | 72.5° | 46.8° |
| N07 | RU01 | N05 | C30 | 107.6° | 108.3° |
| RU01 | N07 | C41 | C45 | 1.2° | 59.4° |
| RU01 | N07 | C41 | C42 | 179.8° | 118.2° |
| N05 | RU01 | N04 | C27 | 179.6° | 163.8° |
| N05 | RU01 | N04 | C28 | 0.2° | 14.7° |
| N05 | RU01 | N07 | C40 | 97.9° | 107.3° |
| N05 | RU01 | N07 | C41 | 81.4° | 119.3° |
| RU01 | N05 | C33 | C30 | 179.8° | 152.6° |
| RU01 | N05 | C30 | C28 | 0.1° | 16.9° |
| RU01 | N05 | C33 | C31 | 179.6° | 149.8° |
| RU01 | N05 | C30 | C32 | 180.0° | 156.0° |
| RU01 | N05 | C33 | H35 | 0.4° | 30.0° |
| C05 | N02 | C06 | O01 | 0.6° | 9.4° |
| C05 | N02 | C06 | H53 | 180.0° | 179.4° |
| C05 | N02 | C06 | C07 | 178.3° | 167.1° |
| N02 | C05 | H25 | H26 | 119.3° | 116.6° |
| C27 | C26 | C24 | H21 | 180.0° | 178.1° |
| C26 | C27 | N04 | C28 | 0.2° | 1.5° |
| C27 | C26 | C24 | C25 | 0.0° | 1.4° |
| C27 | C26 | C24 | H19 | 180.0° | 178.6° |
| N04 | C27 | C26 | C24 | 0.3° | 1.8° |
| C27 | N04 | C28 | C30 | 179.6° | 177.9° |
| C27 | N04 | C28 | C25 | 0.2° | 5.1° |
| N04 | C27 | C26 | H21 | 179.7° | 179.8° |
| C22 | C19 | C21 | O03 | 120.1° | 109.5° |
| C22 | C19 | O03 | C18 | 89.6° | 179.0° |
| C22 | C19 | C20 | H9 | 180.0° | 59.8° |
| C22 | C19 | C20 | H10 | 60.0° | 60.4° |
| C22 | C19 | C20 | H11 | 60.0° | 179.4° |
| C22 | C19 | C21 | H12 | 61.0° | 177.5° |
| C22 | C19 | C21 | H13 | 59.0° | 62.3° |
| C22 | C19 | C21 | H14 | 179.0° | 58.0° |
| C19 | C22 | H15 | H16 | 120.0° | 120.8° |
| C19 | C22 | H15 | H17 | 120.0° | 120.1° |
| C19 | C22 | H16 | H17 | 120.0° | 120.5° |
| C26 | C24 | C25 | H19 | 180.0° | 180.0° |
| C26 | C24 | C25 | C28 | 0.4° | 2.1° |
| C26 | C24 | C25 | H20 | 179.6° | 179.6° |
| O01 | C06 | N02 | C07 | 178.9° | 176.6° |
| O01 | C06 | C07 | C08 | 18.1° | 99.1° |
| O01 | C06 | C07 | H27 | 102.9° | 23.7° |
| O01 | C06 | C07 | H28 | 139.2° | 138.2° |
| O01 | C06 | N02 | H53 | 179.4° | 170.0° |
| N04 | C28 | C30 | N05 | 0.1° | 32.0° |
| N04 | C28 | C25 | C24 | 0.5° | 5.4° |
| N04 | C28 | C30 | C25 | 179.3° | 172.7° |
| N04 | C28 | C30 | C32 | 179.9° | 140.8° |
| N04 | C28 | C25 | H20 | 179.5° | 177.0° |
| N07 | C40 | C43 | C39 | 0.5° | 6.6° |
| C40 | N07 | C41 | C45 | 179.6° | 175.9° |
| C40 | N07 | C41 | C42 | 0.5° | 6.4° |
| N07 | C40 | C43 | H43 | 179.5° | 176.1° |
| C43 | C40 | N07 | C41 | 0.4° | 8.5° |
| C40 | C43 | C39 | H43 | 180.0° | 177.4° |
| C40 | C43 | C39 | C42 | 0.3° | 2.3° |
| C40 | C43 | C39 | H41 | 179.7° | 177.7° |
| C21 | C19 | O03 | C18 | 31.8° | 62.5° |
| C21 | C19 | C20 | H9 | 59.9° | 176.1° |
| C21 | C19 | C20 | H10 | 60.2° | 63.7° |
| C21 | C19 | C20 | H11 | 179.8° | 56.5° |
| C19 | C21 | H12 | H13 | 120.0° | 120.7° |
| C19 | C21 | H12 | H14 | 120.0° | 120.0° |
| C19 | C21 | H13 | H14 | 120.0° | 120.5° |
| C21 | C19 | C22 | H15 | 60.3° | 56.7° |
| C21 | C19 | C22 | H16 | 179.7° | 63.5° |
| C21 | C19 | C22 | H17 | 59.7° | 176.2° |
| C19 | O03 | C18 | N03 | 72.4° | 174.6° |
| C19 | O03 | C18 | O02 | 107.1° | 6.3° |
| O03 | C19 | C20 | H9 | 62.7° | 51.5° |
| O03 | C19 | C20 | H10 | 177.3° | 171.7° |
| O03 | C19 | C20 | H11 | 57.3° | 68.1° |
| O03 | C19 | C21 | H12 | 59.1° | 68.0° |
| O03 | C19 | C21 | H13 | 179.1° | 171.8° |
| O03 | C19 | C21 | H14 | 60.9° | 51.5° |
| O03 | C19 | C22 | H15 | 62.0° | 59.3° |
| O03 | C19 | C22 | H16 | 58.0° | 179.5° |
| O03 | C19 | C22 | H17 | 178.0° | 60.2° |
| N07 | C41 | C45 | C42 | 179.1° | 177.7° |
| N07 | C41 | C42 | C39 | 1.4° | 2.4° |
| N07 | C41 | C42 | H42 | 178.7° | 177.7° |
| N07 | C41 | C45 | H44 | 180.0° | 147.8° |
| N07 | C41 | C45 | H45 | 60.0° | 28.2° |
| N07 | C41 | C45 | H46 | 60.0° | 92.0° |
| N02 | C06 | C07 | C08 | 163.0° | 84.3° |
| C06 | N02 | C05 | H25 | 100.4° | 25.6° |
| C06 | N02 | C05 | H26 | 19.1° | 141.6° |
| N02 | C06 | C07 | H27 | 76.0° | 153.0° |
| N02 | C06 | C07 | H28 | 41.9° | 38.5° |
| C43 | C39 | C42 | C41 | 1.2° | 0.4° |
| C43 | C39 | C42 | H41 | 180.0° | 180.0° |
| C43 | C39 | C42 | H42 | 178.8° | 179.8° |
| C06 | C07 | C08 | H27 | 121.0° | 122.8° |
| C06 | C07 | C08 | H28 | 121.1° | 122.8° |
| C06 | C07 | C08 | S01 | 70.9° | 30.5° |
| C06 | C07 | H27 | H28 | 116.8° | 116.6° |
| C06 | C07 | C08 | H29 | 48.5° | 152.7° |
| C06 | C07 | C08 | H30 | 169.8° | 91.7° |
| C07 | C06 | N02 | H53 | 1.7° | 13.4° |
| C33 | N05 | C30 | C28 | 179.9° | 177.9° |
| N05 | C33 | C31 | H35 | 180.0° | 179.8° |
| C33 | N05 | C30 | C32 | 0.1° | 5.1° |
| N05 | C33 | C31 | C34 | 0.4° | 0.4° |
| N05 | C33 | C31 | H33 | 179.5° | 179.7° |
| N05 | C30 | C28 | C32 | 180.0° | 172.8° |
| N05 | C30 | C28 | C25 | 179.4° | 140.7° |
| C30 | N05 | C33 | C31 | 0.2° | 2.8° |
| N05 | C30 | C32 | C34 | 0.2° | 5.0° |
| N05 | C30 | C32 | H34 | 179.8° | 177.6° |
| C30 | N05 | C33 | H35 | 179.7° | 177.4° |
| C24 | C25 | C28 | C30 | 179.7° | 177.8° |
| C24 | C25 | C28 | H20 | 180.0° | 177.6° |
| C25 | C24 | C26 | H21 | 180.0° | 179.4° |
| C28 | C30 | C32 | C34 | 179.8° | 177.4° |
| C30 | C28 | C25 | H20 | 0.3° | 4.7° |
| C28 | C30 | C32 | H34 | 0.2° | 5.2° |
| C25 | C28 | C30 | C32 | 0.6° | 46.5° |
| C28 | C25 | C24 | H19 | 179.6° | 177.9° |
| C45 | C41 | C42 | C39 | 179.5° | 180.0° |
| C45 | C41 | C42 | H42 | 0.5° | 0.1° |
| C41 | C45 | H44 | H45 | 120.0° | 120.1° |
| C41 | C45 | H44 | H46 | 120.0° | 120.3° |
| C41 | C45 | H45 | H46 | 120.0° | 120.4° |
| C41 | C42 | C39 | H42 | 180.0° | 179.9° |
| C41 | C42 | C39 | H41 | 178.8° | 179.7° |
| C42 | C41 | C45 | H44 | 0.9° | 34.5° |
| C42 | C41 | C45 | H45 | 119.1° | 154.1° |
| C42 | C41 | C45 | H46 | 120.9° | 85.7° |
| O03 | C18 | N03 | O02 | 179.5° | 179.1° |
| O03 | C18 | N03 | C10 | 131.2° | 171.4° |
| O03 | C18 | N03 | H54 | 48.8° | 7.5° |
| C33 | C31 | C34 | H33 | 180.0° | 180.0° |
| C33 | C31 | C34 | C32 | 0.3° | 0.2° |
| C33 | C31 | C34 | H36 | 179.7° | 180.0° |
| C30 | C32 | C34 | C31 | 0.0° | 2.4° |
| C30 | C32 | C34 | H34 | 180.0° | 177.4° |
| C30 | C32 | C34 | H36 | 180.0° | 177.8° |
| C42 | C39 | C43 | H43 | 179.7° | 179.7° |
| C07 | C08 | S01 | H29 | 119.4° | 122.2° |
| C07 | C08 | S01 | H30 | 119.3° | 122.3° |
| C07 | C08 | S01 | C09 | 81.5° | 91.0° |
| C08 | C07 | H27 | H28 | 116.8° | 116.5° |
| C07 | C08 | H29 | H30 | 121.9° | 116.3° |
| C08 | S01 | C09 | C10 | 142.0° | 137.1° |
| S01 | C08 | C07 | H27 | 168.1° | 92.2° |
| S01 | C08 | C07 | H28 | 50.2° | 153.3° |
| S01 | C08 | H29 | H30 | 121.9° | 116.1° |
| C08 | S01 | C09 | H31 | 97.7° | 100.8° |
| C08 | S01 | C09 | H32 | 21.7° | 14.9° |
| C18 | N03 | C10 | H54 | 180.0° | 178.9° |
| C18 | N03 | C10 | C09 | 164.5° | 146.8° |
| C18 | N03 | C10 | C11 | 73.0° | 85.9° |
| C18 | N03 | C10 | H1 | 46.9° | 30.0° |
| O02 | C18 | N03 | C10 | 49.3° | 9.5° |
| O02 | C18 | N03 | H54 | 130.7° | 171.6° |
| S01 | C09 | C10 | N03 | 33.3° | 72.5° |
| S01 | C09 | C10 | H31 | 120.3° | 121.4° |
| S01 | C09 | C10 | H32 | 120.3° | 121.1° |
| S01 | C09 | C10 | C11 | 156.0° | 162.6° |
| S01 | C09 | C10 | H1 | 84.9° | 45.0° |
| C09 | S01 | C08 | H29 | 159.1° | 31.2° |
| C09 | S01 | C08 | H30 | 37.8° | 146.8° |
| S01 | C09 | H31 | H32 | 119.2° | 115.8° |
| C31 | C34 | C32 | H36 | 180.0° | 179.9° |
| C31 | C34 | C32 | H34 | 180.0° | 179.8° |
| C34 | C31 | C33 | H35 | 179.5° | 179.8° |
| C32 | C34 | C31 | H33 | 179.7° | 179.9° |
| N03 | C10 | C09 | C11 | 122.7° | 124.9° |
| N03 | C10 | C09 | H1 | 118.3° | 117.5° |
| N03 | C10 | C11 | H1 | 120.4° | 116.3° |
| N03 | C10 | C11 | C12 | 59.6° | 104.5° |
| N03 | C10 | C11 | H2 | 61.4° | 131.8° |
| N03 | C10 | C11 | H3 | 179.4° | 19.2° |
| N03 | C10 | C09 | H31 | 153.6° | 48.9° |
| N03 | C10 | C09 | H32 | 86.9° | 166.4° |
| C09 | C10 | C11 | H1 | 119.1° | 117.3° |
| C09 | C10 | C11 | C12 | 60.8° | 21.8° |
| C09 | C10 | C11 | H2 | 178.2° | 101.9° |
| C09 | C10 | C11 | H3 | 60.2° | 145.5° |
| C10 | C09 | H31 | H32 | 119.2° | 118.8° |
| C09 | C10 | N03 | H54 | 15.5° | 34.3° |
| C10 | C11 | C12 | C17 | 90.0° | 101.7° |
| C10 | C11 | C12 | H2 | 121.0° | 123.5° |
| C10 | C11 | C12 | H3 | 121.0° | 124.0° |
| C10 | C11 | C12 | C13 | 90.8° | 80.4° |
| C10 | C11 | H2 | H3 | 116.8° | 114.7° |
| C11 | C10 | C09 | H31 | 83.7° | 76.0° |
| C11 | C10 | C09 | H32 | 35.8° | 41.5° |
| C11 | C10 | N03 | H54 | 107.0° | 93.0° |
| C16 | C17 | C12 | H8 | 180.0° | 179.0° |
| C17 | C16 | C15 | H7 | 180.0° | 179.9° |
| C16 | C17 | C12 | C11 | 179.7° | 179.5° |
| C16 | C17 | C12 | C13 | 0.6° | 1.4° |
| C17 | C16 | C15 | C14 | 0.1° | 0.1° |
| C17 | C16 | C15 | H6 | 179.9° | 179.8° |
| C12 | C17 | C16 | C15 | 0.2° | 0.8° |
| C17 | C12 | C11 | C13 | 179.1° | 178.0° |
| C17 | C12 | C13 | C14 | 0.6° | 1.4° |
| C17 | C12 | C11 | H2 | 30.9° | 21.9° |
| C17 | C12 | C11 | H3 | 148.9° | 134.4° |
| C17 | C12 | C13 | H4 | 179.4° | 179.5° |
| C12 | C17 | C16 | H7 | 179.8° | 179.3° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C16 | C15 | C14 | H5 | 180.0° | 180.0° |
| C15 | C16 | C17 | H8 | 179.8° | 179.8° |
| C11 | C12 | C13 | C14 | 179.8° | 179.5° |
| C12 | C11 | C10 | H1 | 180.0° | 139.2° |
| C12 | C11 | H2 | H3 | 116.8° | 114.3° |
| C11 | C12 | C13 | H4 | 0.3° | 1.5° |
| C11 | C12 | C17 | H8 | 0.3° | 1.5° |
| C12 | C13 | C14 | C15 | 0.3° | 0.8° |
| C12 | C13 | C14 | H4 | 180.0° | 179.0° |
| C13 | C12 | C11 | H2 | 148.2° | 156.1° |
| C13 | C12 | C11 | H3 | 30.2° | 43.6° |
| C12 | C13 | C14 | H5 | 179.7° | 179.4° |
| C13 | C12 | C17 | H8 | 179.4° | 179.6° |
| C15 | C14 | C13 | H5 | 180.0° | 179.8° |
| C15 | C14 | C13 | H4 | 179.7° | 179.8° |
| C14 | C15 | C16 | H7 | 179.9° | 180.0° |
| C13 | C14 | C15 | H6 | 180.0° | 179.8° |
| H1 | C10 | C11 | H2 | 59.1° | 15.5° |
| H1 | C10 | C11 | H3 | 59.0° | 97.1° |
| H1 | C10 | C09 | H31 | 35.3° | 166.4° |
| H1 | C10 | C09 | H32 | 154.8° | 76.1° |
| H1 | C10 | N03 | H54 | 133.2° | 151.2° |
| H4 | C13 | C14 | H5 | 0.3° | 0.3° |
| H5 | C14 | C15 | H6 | 0.0° | 0.0° |
| H6 | C15 | C16 | H7 | 0.1° | 0.0° |
| H7 | C16 | C17 | H8 | 0.2° | 0.3° |
| H9 | C20 | H10 | H11 | 120.0° | 118.9° |
| H12 | C21 | H13 | H14 | 120.0° | 119.0° |
| H15 | C22 | H16 | H17 | 120.0° | 118.8° |
| H19 | C24 | C25 | H20 | 0.4° | 0.4° |
| H19 | C24 | C26 | H21 | 0.1° | 0.6° |
| H22 | C01 | C02 | H23 | 0.4° | 2.0° |
| H23 | C02 | C03 | H24 | 0.2° | 0.3° |
| H25 | C05 | N02 | H53 | 79.6° | 155.0° |
| H26 | C05 | N02 | H53 | 160.9° | 38.9° |
| H27 | C07 | C08 | H29 | 72.5° | 29.9° |
| H27 | C07 | C08 | H30 | 48.8° | 145.6° |
| H28 | C07 | C08 | H29 | 169.6° | 84.5° |
| H28 | C07 | C08 | H30 | 69.2° | 31.1° |
| H33 | C31 | C33 | H35 | 0.5° | 0.1° |
| H33 | C31 | C34 | H36 | 0.3° | 0.0° |
| H34 | C32 | C34 | H36 | 0.0° | 0.4° |
| H37 | C35 | C37 | H39 | 0.1° | 0.3° |
| H37 | C35 | C38 | H40 | 0.1° | 4.2° |
| H38 | C36 | C37 | H39 | 0.0° | 0.6° |
| H41 | C39 | C42 | H42 | 1.2° | 0.2° |
| H41 | C39 | C43 | H43 | 0.3° | 0.4° |
| H44 | C45 | H45 | H46 | 120.0° | 119.5° |
| H47 | C46 | C49 | H49 | 0.1° | 1.7° |
| H48 | C47 | C49 | H49 | 0.2° | 0.5° |
| H50 | C50 | H51 | H52 | 120.0° | 119.4° |
