X7L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.55Å | 1.52Å | |
| C25 | C21 | sing | 1.54Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | O03 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | sing | 1.55Å | 1.53Å | |
| C26 | C27 | doub | 1.37Å | 1.40Å | Aromatic |
| C26 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C19 | O03 | sing | 1.36Å | 1.36Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | N04 | sing | 1.35Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| N04 | C15 | doub | 1.29Å | 1.31Å | Aromatic |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | S02 | sing | 1.76Å | 1.71Å | Aromatic |
| C15 | N03 | sing | 1.38Å | 1.43Å | |
| C15 | S02 | sing | 1.76Å | 1.70Å | Aromatic |
| N03 | S01 | sing | 1.66Å | 1.66Å | |
| O02 | S01 | doub | 1.42Å | 1.45Å | |
| S01 | O01 | doub | 1.42Å | 1.45Å | |
| S01 | C12 | sing | 1.76Å | 1.75Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | F01 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | N02 | sing | 1.40Å | 1.39Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C08 | N02 | sing | 1.47Å | 1.48Å | |
| C08 | C03 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | N01 | sing | 1.47Å | 1.53Å | |
| C01 | N01 | sing | 1.47Å | 1.50Å | |
| N01 | C02 | sing | 1.47Å | 1.50Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| N02 | H35 | sing | 0.97Å | 1.00Å | |
| N03 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C21 | 103.8° | 104.1° |
| C25 | C24 | C23 | 106.1° | 102.8° |
| C25 | C24 | H28 | 110.3° | 110.8° |
| C25 | C24 | H29 | 110.3° | 110.9° |
| C24 | C25 | H30 | 110.9° | 110.5° |
| C24 | C25 | H31 | 110.9° | 110.5° |
| C25 | C21 | C20 | 113.2° | 110.0° |
| C25 | C21 | C22 | 103.0° | 106.6° |
| C25 | C21 | H23 | 108.8° | 110.1° |
| C21 | C25 | H30 | 110.8° | 110.4° |
| C21 | C25 | H31 | 110.9° | 110.5° |
| C21 | C20 | O03 | 107.0° | 109.5° |
| C20 | C21 | C22 | 114.2° | 110.0° |
| C21 | C20 | H21 | 110.1° | 109.4° |
| C21 | C20 | H22 | 110.1° | 109.5° |
| C20 | C21 | H23 | 108.8° | 110.0° |
| C20 | O03 | C19 | 117.8° | 117.0° |
| O03 | C20 | H21 | 110.1° | 109.5° |
| O03 | C20 | H22 | 110.1° | 109.4° |
| C24 | C23 | C22 | 106.5° | 104.2° |
| C24 | C23 | H26 | 110.2° | 110.5° |
| C24 | C23 | H27 | 110.2° | 110.6° |
| C23 | C24 | H28 | 110.3° | 110.8° |
| C23 | C24 | H29 | 110.3° | 110.7° |
| C27 | C26 | C19 | 120.4° | 120.5° |
| C26 | C27 | C16 | 119.6° | 120.6° |
| C27 | C26 | H32 | 119.8° | 119.7° |
| C26 | C27 | H33 | 120.2° | 119.7° |
| C26 | C19 | O03 | 127.1° | 120.0° |
| C26 | C19 | C18 | 120.7° | 119.9° |
| C19 | C26 | H32 | 119.8° | 119.8° |
| C27 | C16 | N04 | 126.1° | 128.7° |
| C27 | C16 | C17 | 119.0° | 118.5° |
| C16 | C27 | H33 | 120.2° | 119.7° |
| C21 | C22 | C23 | 103.2° | 106.6° |
| C22 | C21 | H23 | 108.7° | 110.1° |
| C21 | C22 | H24 | 111.0° | 110.0° |
| C21 | C22 | H25 | 111.0° | 110.1° |
| O03 | C19 | C18 | 112.3° | 120.1° |
| C19 | C18 | C17 | 118.7° | 120.1° |
| C19 | C18 | H20 | 120.6° | 119.9° |
| N04 | C16 | C17 | 114.9° | 112.9° |
| C16 | N04 | C15 | 109.8° | 117.8° |
| C16 | C17 | C18 | 121.7° | 120.5° |
| C16 | C17 | S02 | 109.2° | 108.4° |
| N04 | C15 | N03 | 115.5° | 124.8° |
| N04 | C15 | S02 | 116.3° | 110.4° |
| C23 | C22 | H24 | 111.0° | 110.0° |
| C23 | C22 | H25 | 111.0° | 110.1° |
| C22 | C23 | H26 | 110.2° | 110.5° |
| C22 | C23 | H27 | 110.2° | 110.5° |
| C18 | C17 | S02 | 129.1° | 131.1° |
| C17 | C18 | H20 | 120.7° | 120.0° |
| C17 | S02 | C15 | 89.9° | 90.4° |
| N03 | C15 | S02 | 128.2° | 124.8° |
| C15 | N03 | S01 | 124.6° | 120.0° |
| C15 | N03 | H36 | 105.6° | 120.0° |
| N03 | S01 | O02 | 107.1° | 106.4° |
| N03 | S01 | O01 | 108.3° | 106.4° |
| N03 | S01 | C12 | 105.4° | 107.2° |
| S01 | N03 | H36 | 105.6° | 120.0° |
| O02 | S01 | O01 | 118.0° | 123.2° |
| O02 | S01 | C12 | 107.1° | 106.4° |
| O01 | S01 | C12 | 110.2° | 106.4° |
| S01 | C12 | C11 | 120.1° | 119.9° |
| S01 | C12 | C13 | 120.3° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.1° |
| C11 | C12 | C13 | 119.6° | 120.1° |
| C12 | C11 | H2 | 120.1° | 119.9° |
| C11 | C10 | C09 | 121.6° | 120.0° |
| C10 | C11 | H2 | 120.1° | 120.0° |
| C11 | C10 | H3 | 119.2° | 120.0° |
| C12 | C13 | F01 | 121.4° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C10 | C09 | C14 | 117.0° | 119.9° |
| C10 | C09 | N02 | 124.2° | 120.0° |
| C09 | C10 | H3 | 119.2° | 120.0° |
| F01 | C13 | C14 | 118.4° | 120.0° |
| C13 | C14 | C09 | 121.8° | 119.9° |
| C13 | C14 | H1 | 119.1° | 120.1° |
| C14 | C09 | N02 | 118.8° | 120.1° |
| C09 | C14 | H1 | 119.1° | 120.1° |
| C09 | N02 | C08 | 126.7° | 120.0° |
| C09 | N02 | H35 | 105.0° | 120.0° |
| C06 | C07 | C08 | 113.7° | 109.5° |
| C07 | C06 | C05 | 113.4° | 109.5° |
| C07 | C06 | H15 | 108.4° | 109.5° |
| C07 | C06 | H16 | 108.5° | 109.5° |
| C06 | C07 | H17 | 108.4° | 109.5° |
| C06 | C07 | H18 | 108.4° | 109.5° |
| C07 | C08 | N02 | 109.5° | 109.5° |
| C07 | C08 | C03 | 111.3° | 109.5° |
| C08 | C07 | H17 | 108.4° | 109.5° |
| C08 | C07 | H18 | 108.4° | 109.5° |
| C07 | C08 | H19 | 108.1° | 109.5° |
| C06 | C05 | C04 | 112.3° | 109.5° |
| C06 | C05 | H13 | 108.8° | 109.5° |
| C06 | C05 | H14 | 108.8° | 109.5° |
| C05 | C06 | H15 | 108.5° | 109.4° |
| C05 | C06 | H16 | 108.5° | 109.4° |
| N02 | C08 | C03 | 111.2° | 109.5° |
| N02 | C08 | H19 | 108.8° | 109.4° |
| C08 | N02 | H35 | 105.0° | 120.0° |
| C08 | C03 | C04 | 113.7° | 109.5° |
| C08 | C03 | N01 | 110.8° | 109.5° |
| C08 | C03 | H10 | 106.9° | 109.5° |
| C03 | C08 | H19 | 107.8° | 109.5° |
| C05 | C04 | C03 | 113.2° | 109.5° |
| C05 | C04 | H11 | 108.6° | 109.4° |
| C05 | C04 | H12 | 108.5° | 109.5° |
| C04 | C05 | H13 | 108.8° | 109.5° |
| C04 | C05 | H14 | 108.8° | 109.4° |
| C04 | C03 | N01 | 110.7° | 109.4° |
| C04 | C03 | H10 | 107.2° | 109.5° |
| C03 | C04 | H11 | 108.5° | 109.5° |
| C03 | C04 | H12 | 108.6° | 109.5° |
| C03 | N01 | C01 | 116.6° | 111.0° |
| C03 | N01 | C02 | 113.1° | 111.0° |
| N01 | C03 | H10 | 107.3° | 109.5° |
| C01 | N01 | C02 | 111.4° | 111.0° |
| N01 | C01 | H4 | 109.5° | 109.4° |
| N01 | C01 | H5 | 109.5° | 109.5° |
| N01 | C01 | H6 | 109.5° | 109.5° |
| N01 | C02 | H7 | 109.5° | 109.5° |
| N01 | C02 | H8 | 109.5° | 109.5° |
| N01 | C02 | H9 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.4° | 109.5° |
| H7 | C02 | H9 | 109.5° | 109.4° |
| H8 | C02 | H9 | 109.5° | 109.4° |
| H11 | C04 | H12 | 109.4° | 109.5° |
| H13 | C05 | H14 | 109.4° | 109.5° |
| H15 | C06 | H16 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.4° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H24 | C22 | H25 | 109.5° | 110.0° |
| H26 | C23 | H27 | 109.5° | 110.5° |
| H28 | C24 | H29 | 109.5° | 110.6° |
| H30 | C25 | H31 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C21 | H30 | 119.1° | 118.7° |
| C24 | C25 | C21 | H31 | 119.1° | 118.7° |
| C24 | C25 | C21 | C20 | 163.8° | 142.9° |
| C25 | C24 | C23 | H28 | 119.5° | 118.4° |
| C25 | C24 | C23 | H29 | 119.5° | 118.5° |
| C24 | C25 | C21 | C22 | 40.0° | 23.6° |
| C25 | C24 | C23 | C22 | 0.0° | 38.0° |
| C24 | C25 | C21 | H23 | 75.2° | 95.8° |
| C25 | C24 | C23 | H26 | 119.6° | 156.6° |
| C25 | C24 | C23 | H27 | 119.5° | 80.8° |
| C25 | C24 | H28 | H29 | 121.5° | 123.4° |
| C24 | C25 | H30 | H31 | 122.6° | 122.7° |
| C25 | C21 | C20 | C22 | 117.4° | 117.2° |
| C25 | C21 | C20 | H23 | 121.0° | 121.4° |
| C25 | C21 | C20 | O03 | 160.7° | 67.8° |
| C21 | C25 | C24 | C23 | 24.6° | 38.0° |
| C25 | C21 | C22 | H23 | 115.3° | 119.4° |
| C25 | C21 | C22 | C23 | 39.8° | 0.0° |
| C25 | C21 | C20 | H21 | 79.7° | 52.2° |
| C25 | C21 | C20 | H22 | 41.1° | 172.2° |
| C25 | C21 | C22 | H24 | 158.8° | 119.3° |
| C25 | C21 | C22 | H25 | 79.2° | 119.3° |
| C21 | C25 | C24 | H28 | 144.1° | 80.4° |
| C21 | C25 | C24 | H29 | 94.9° | 156.3° |
| C21 | C25 | H30 | H31 | 122.6° | 122.6° |
| C21 | C20 | O03 | H21 | 119.6° | 120.0° |
| C21 | C20 | O03 | H22 | 119.6° | 120.0° |
| C20 | C21 | C22 | H23 | 121.6° | 121.3° |
| C21 | C20 | O03 | C19 | 167.5° | 180.0° |
| C20 | C21 | C22 | C23 | 162.9° | 119.3° |
| C21 | C20 | H21 | H22 | 121.1° | 120.0° |
| C20 | C21 | C22 | H24 | 78.1° | 121.4° |
| C20 | C21 | C22 | H25 | 43.9° | 0.1° |
| C20 | C21 | C25 | H30 | 77.1° | 24.2° |
| C20 | C21 | C25 | H31 | 44.7° | 98.4° |
| C20 | O03 | C19 | C26 | 8.5° | 0.0° |
| O03 | C20 | C21 | C22 | 43.3° | 175.0° |
| C20 | O03 | C19 | C18 | 170.8° | 180.0° |
| O03 | C20 | H21 | H22 | 121.1° | 120.0° |
| O03 | C20 | C21 | H23 | 78.3° | 53.6° |
| C24 | C23 | C22 | C21 | 24.5° | 23.6° |
| C24 | C23 | C22 | H26 | 119.6° | 118.6° |
| C24 | C23 | C22 | H27 | 119.5° | 118.8° |
| C24 | C23 | C22 | H24 | 143.5° | 95.7° |
| C24 | C23 | C22 | H25 | 94.5° | 142.9° |
| C24 | C23 | H26 | H27 | 121.3° | 122.7° |
| C23 | C24 | H28 | H29 | 121.6° | 123.2° |
| C23 | C24 | C25 | H30 | 143.7° | 80.7° |
| C23 | C24 | C25 | H31 | 94.5° | 156.6° |
| C27 | C26 | C19 | H32 | 180.0° | 180.0° |
| C26 | C27 | C16 | H33 | 180.0° | 180.0° |
| C27 | C26 | C19 | O03 | 179.7° | 180.0° |
| C27 | C26 | C19 | C18 | 0.5° | 0.0° |
| C26 | C27 | C16 | N04 | 179.9° | 180.0° |
| C26 | C27 | C16 | C17 | 0.2° | 0.0° |
| C19 | C26 | C27 | C16 | 0.5° | 0.0° |
| C26 | C19 | O03 | C18 | 179.3° | 180.0° |
| C26 | C19 | C18 | C17 | 0.3° | 0.0° |
| C26 | C19 | C18 | H20 | 179.7° | 180.0° |
| C19 | C26 | C27 | H33 | 179.6° | 180.0° |
| C27 | C16 | N04 | C17 | 179.9° | 180.0° |
| C27 | C16 | N04 | C15 | 179.7° | 180.0° |
| C27 | C16 | C17 | C18 | 0.0° | 0.0° |
| C27 | C16 | C17 | S02 | 179.9° | 179.9° |
| C16 | C27 | C26 | H32 | 179.5° | 180.0° |
| C21 | C22 | C23 | H24 | 119.0° | 119.3° |
| C21 | C22 | C23 | H25 | 119.0° | 119.3° |
| C22 | C21 | C20 | H21 | 162.9° | 65.0° |
| C22 | C21 | C20 | H22 | 76.3° | 55.0° |
| C21 | C22 | H24 | H25 | 122.9° | 121.4° |
| C21 | C22 | C23 | H26 | 144.1° | 142.2° |
| C21 | C22 | C23 | H27 | 95.0° | 95.2° |
| C22 | C21 | C25 | H30 | 159.1° | 95.0° |
| C22 | C21 | C25 | H31 | 79.1° | 142.3° |
| O03 | C19 | C18 | C17 | 179.6° | 180.0° |
| O03 | C19 | C18 | H20 | 0.4° | 0.0° |
| C19 | O03 | C20 | H21 | 47.8° | 60.0° |
| C19 | O03 | C20 | H22 | 72.9° | 60.1° |
| O03 | C19 | C26 | H32 | 0.3° | 0.0° |
| C19 | C18 | C17 | C16 | 0.0° | 0.0° |
| C19 | C18 | C17 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | S02 | 179.9° | 179.9° |
| C18 | C19 | C26 | H32 | 179.5° | 180.0° |
| N04 | C16 | C17 | C18 | 179.9° | 180.0° |
| N04 | C16 | C17 | S02 | 0.0° | 0.1° |
| C16 | N04 | C15 | N03 | 179.9° | 180.0° |
| C16 | N04 | C15 | S02 | 0.6° | 0.2° |
| N04 | C16 | C27 | H33 | 0.1° | 0.0° |
| C17 | C16 | N04 | C15 | 0.4° | 0.1° |
| C16 | C17 | C18 | S02 | 179.9° | 179.9° |
| C16 | C17 | S02 | C15 | 0.3° | 0.2° |
| C16 | C17 | C18 | H20 | 180.0° | 180.0° |
| C17 | C16 | C27 | H33 | 179.8° | 180.0° |
| N04 | C15 | S02 | C17 | 0.5° | 0.2° |
| N04 | C15 | N03 | S02 | 179.2° | 179.8° |
| N04 | C15 | N03 | S01 | 179.5° | 5.4° |
| N04 | C15 | N03 | H36 | 57.5° | 174.7° |
| C23 | C22 | C21 | H23 | 75.5° | 119.4° |
| C23 | C22 | H24 | H25 | 122.9° | 121.5° |
| C22 | C23 | H26 | H27 | 121.4° | 122.5° |
| C22 | C23 | C24 | H28 | 119.5° | 80.4° |
| C22 | C23 | C24 | H29 | 119.5° | 156.4° |
| C18 | C17 | S02 | C15 | 179.8° | 179.9° |
| C17 | S02 | C15 | N03 | 179.7° | 180.0° |
| S02 | C17 | C18 | H20 | 0.1° | 0.1° |
| C15 | N03 | S01 | H36 | 122.1° | 179.9° |
| C15 | N03 | S01 | O02 | 172.5° | 177.7° |
| C15 | N03 | S01 | O01 | 44.3° | 49.3° |
| C15 | N03 | S01 | C12 | 73.7° | 64.2° |
| S02 | C15 | N03 | S01 | 1.3° | 174.4° |
| S02 | C15 | N03 | H36 | 123.3° | 5.6° |
| N03 | S01 | O02 | O01 | 122.3° | 123.0° |
| N03 | S01 | O02 | C12 | 112.6° | 114.1° |
| N03 | S01 | O01 | C12 | 114.8° | 114.1° |
| N03 | S01 | C12 | C11 | 67.8° | 115.5° |
| N03 | S01 | C12 | C13 | 113.1° | 64.7° |
| O02 | S01 | O01 | C12 | 123.5° | 123.0° |
| O02 | S01 | C12 | C11 | 45.9° | 131.0° |
| O02 | S01 | C12 | C13 | 133.2° | 48.8° |
| O02 | S01 | N03 | H36 | 50.4° | 2.4° |
| O01 | S01 | C12 | C11 | 175.6° | 1.9° |
| O01 | S01 | C12 | C13 | 3.5° | 178.3° |
| O01 | S01 | N03 | H36 | 77.8° | 130.6° |
| S01 | C12 | C11 | C13 | 179.1° | 179.8° |
| S01 | C12 | C11 | C10 | 179.9° | 179.9° |
| S01 | C12 | C13 | F01 | 0.9° | 0.2° |
| S01 | C12 | C13 | C14 | 180.0° | 179.8° |
| S01 | C12 | C11 | H2 | 0.1° | 0.2° |
| C12 | S01 | N03 | H36 | 164.3° | 115.9° |
| C12 | C11 | C10 | H2 | 180.0° | 179.7° |
| C12 | C11 | C10 | C09 | 0.4° | 0.3° |
| C11 | C12 | C13 | F01 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.9° | 0.0° |
| C12 | C11 | C10 | H3 | 179.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.3° |
| C11 | C10 | C09 | H3 | 180.0° | 179.7° |
| C11 | C10 | C09 | C14 | 0.0° | 0.0° |
| C11 | C10 | C09 | N02 | 179.8° | 180.0° |
| C12 | C13 | F01 | C14 | 179.1° | 180.0° |
| C12 | C13 | C14 | C09 | 0.6° | 0.2° |
| C12 | C13 | C14 | H1 | 179.4° | 180.0° |
| C13 | C12 | C11 | H2 | 179.2° | 180.0° |
| C10 | C09 | C14 | C13 | 0.1° | 0.3° |
| C10 | C09 | C14 | N02 | 179.8° | 180.0° |
| C10 | C09 | N02 | C08 | 21.7° | 180.0° |
| C10 | C09 | C14 | H1 | 179.8° | 180.0° |
| C09 | C10 | C11 | H2 | 179.6° | 180.0° |
| C10 | C09 | N02 | H35 | 144.0° | 0.0° |
| F01 | C13 | C14 | C09 | 179.7° | 179.8° |
| F01 | C13 | C14 | H1 | 0.2° | 0.0° |
| C13 | C14 | C09 | H1 | 180.0° | 179.8° |
| C13 | C14 | C09 | N02 | 179.7° | 179.8° |
| C14 | C09 | N02 | C08 | 158.5° | 0.0° |
| C14 | C09 | C10 | H3 | 180.0° | 179.7° |
| C14 | C09 | N02 | H35 | 36.2° | 180.0° |
| C09 | N02 | C08 | C07 | 79.8° | 85.0° |
| C09 | N02 | C08 | H35 | 122.3° | 180.0° |
| C09 | N02 | C08 | C03 | 156.8° | 155.0° |
| N02 | C09 | C14 | H1 | 0.4° | 0.0° |
| N02 | C09 | C10 | H3 | 0.2° | 0.3° |
| C09 | N02 | C08 | H19 | 38.2° | 35.0° |
| C06 | C07 | C08 | H17 | 120.6° | 120.1° |
| C06 | C07 | C08 | H18 | 120.6° | 120.0° |
| C07 | C06 | C05 | H15 | 120.6° | 120.0° |
| C07 | C06 | C05 | H16 | 120.6° | 120.0° |
| C06 | C07 | C08 | N02 | 153.1° | 180.0° |
| C06 | C07 | C08 | C03 | 29.7° | 60.0° |
| C07 | C06 | C05 | C04 | 59.7° | 60.0° |
| C07 | C06 | C05 | H13 | 60.7° | 60.0° |
| C07 | C06 | C05 | H14 | 179.9° | 180.0° |
| C07 | C06 | H15 | H16 | 118.2° | 120.1° |
| C06 | C07 | H17 | H18 | 118.1° | 120.0° |
| C06 | C07 | C08 | H19 | 88.5° | 60.0° |
| C08 | C07 | C06 | C05 | 26.4° | 60.0° |
| C07 | C08 | N02 | C03 | 123.4° | 120.0° |
| C07 | C08 | N02 | H19 | 118.0° | 120.0° |
| C07 | C08 | C03 | H19 | 118.4° | 120.0° |
| C07 | C08 | C03 | C04 | 57.6° | 60.0° |
| C07 | C08 | C03 | N01 | 177.0° | 180.0° |
| C07 | C08 | C03 | H10 | 60.5° | 60.0° |
| C08 | C07 | C06 | H15 | 147.0° | 180.0° |
| C08 | C07 | C06 | H16 | 94.2° | 60.0° |
| C08 | C07 | H17 | H18 | 118.1° | 120.0° |
| C07 | C08 | N02 | H35 | 42.5° | 95.0° |
| C06 | C05 | C04 | H13 | 120.5° | 120.0° |
| C06 | C05 | C04 | H14 | 120.4° | 120.0° |
| C06 | C05 | C04 | C03 | 31.4° | 60.0° |
| C06 | C05 | C04 | H11 | 152.0° | 180.0° |
| C06 | C05 | C04 | H12 | 89.1° | 60.0° |
| C06 | C05 | H13 | H14 | 118.7° | 120.0° |
| C05 | C06 | H15 | H16 | 118.2° | 120.0° |
| C05 | C06 | C07 | H17 | 147.1° | 60.0° |
| C05 | C06 | C07 | H18 | 94.2° | 180.0° |
| N02 | C08 | C03 | H19 | 119.2° | 120.0° |
| N02 | C08 | C03 | C04 | 180.0° | 180.0° |
| N02 | C08 | C03 | N01 | 54.6° | 60.0° |
| N02 | C08 | C03 | H10 | 62.0° | 60.0° |
| N02 | C08 | C07 | H17 | 32.4° | 60.0° |
| N02 | C08 | C07 | H18 | 86.3° | 60.0° |
| C08 | C03 | C04 | C05 | 25.3° | 60.0° |
| C08 | C03 | C04 | N01 | 125.5° | 120.0° |
| C08 | C03 | C04 | H10 | 117.8° | 120.0° |
| C08 | C03 | N01 | H10 | 116.3° | 120.0° |
| C08 | C03 | N01 | C01 | 60.2° | 68.5° |
| C08 | C03 | N01 | C02 | 168.7° | 167.5° |
| C08 | C03 | C04 | H11 | 95.3° | 180.0° |
| C08 | C03 | C04 | H12 | 145.8° | 60.0° |
| C03 | C08 | C07 | H17 | 91.0° | 60.0° |
| C03 | C08 | C07 | H18 | 150.3° | 180.0° |
| C03 | C08 | N02 | H35 | 80.9° | 25.1° |
| C05 | C04 | C03 | H11 | 120.6° | 120.0° |
| C05 | C04 | C03 | H12 | 120.6° | 120.0° |
| C05 | C04 | C03 | N01 | 150.7° | 180.0° |
| C05 | C04 | C03 | H10 | 92.6° | 60.0° |
| C05 | C04 | H11 | H12 | 118.3° | 120.0° |
| C04 | C05 | H13 | H14 | 118.7° | 120.0° |
| C04 | C05 | C06 | H15 | 179.7° | 180.0° |
| C04 | C05 | C06 | H16 | 60.9° | 60.0° |
| C04 | C03 | N01 | H10 | 116.6° | 120.0° |
| C04 | C03 | N01 | C01 | 66.9° | 51.5° |
| C04 | C03 | N01 | C02 | 64.3° | 72.5° |
| C03 | C04 | H11 | H12 | 118.3° | 120.0° |
| C03 | C04 | C05 | H13 | 89.0° | 60.0° |
| C03 | C04 | C05 | H14 | 151.8° | 180.0° |
| C04 | C03 | C08 | H19 | 60.8° | 60.0° |
| C03 | N01 | C01 | C02 | 131.9° | 124.0° |
| C03 | N01 | C01 | H4 | 180.0° | 60.0° |
| C03 | N01 | C01 | H5 | 60.0° | 180.0° |
| C03 | N01 | C01 | H6 | 60.0° | 59.9° |
| C03 | N01 | C02 | H7 | 180.0° | 61.1° |
| C03 | N01 | C02 | H8 | 60.0° | 59.0° |
| C03 | N01 | C02 | H9 | 60.0° | 179.0° |
| N01 | C03 | C04 | H11 | 30.2° | 60.0° |
| N01 | C03 | C04 | H12 | 88.7° | 60.0° |
| N01 | C03 | C08 | H19 | 64.6° | 60.0° |
| N01 | C01 | H4 | H5 | 120.0° | 120.0° |
| N01 | C01 | H4 | H6 | 120.0° | 120.0° |
| N01 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | N01 | C02 | H7 | 46.3° | 63.0° |
| C01 | N01 | C02 | H8 | 73.7° | 177.0° |
| C01 | N01 | C02 | H9 | 166.3° | 57.0° |
| C01 | N01 | C03 | H10 | 176.5° | 171.5° |
| C02 | N01 | C01 | H4 | 48.1° | 64.0° |
| C02 | N01 | C01 | H5 | 168.1° | 56.0° |
| C02 | N01 | C01 | H6 | 71.9° | 176.0° |
| N01 | C02 | H7 | H8 | 120.0° | 120.0° |
| N01 | C02 | H7 | H9 | 120.0° | 120.0° |
| N01 | C02 | H8 | H9 | 120.0° | 120.1° |
| C02 | N01 | C03 | H10 | 52.4° | 47.5° |
| H2 | C11 | C10 | H3 | 0.4° | 0.3° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C02 | H8 | H9 | 120.0° | 119.9° |
| H10 | C03 | C04 | H11 | 146.9° | 60.0° |
| H10 | C03 | C04 | H12 | 28.0° | 180.0° |
| H10 | C03 | C08 | H19 | 178.8° | 180.0° |
| H11 | C04 | C05 | H13 | 31.5° | 60.0° |
| H11 | C04 | C05 | H14 | 87.6° | 60.1° |
| H12 | C04 | C05 | H13 | 150.4° | NaN° |
| H12 | C04 | C05 | H14 | 31.3° | 60.0° |
| H13 | C05 | C06 | H15 | 59.8° | 60.0° |
| H13 | C05 | C06 | H16 | 178.7° | 180.0° |
| H14 | C05 | C06 | H15 | 59.3° | 60.0° |
| H14 | C05 | C06 | H16 | 59.6° | 60.0° |
| H15 | C06 | C07 | H17 | 92.4° | 59.9° |
| H15 | C06 | C07 | H18 | 26.4° | 60.1° |
| H16 | C06 | C07 | H17 | 26.5° | 180.0° |
| H16 | C06 | C07 | H18 | 145.2° | 60.0° |
| H17 | C07 | C08 | H19 | 150.8° | 180.0° |
| H18 | C07 | C08 | H19 | 32.1° | 60.0° |
| H19 | C08 | N02 | H35 | 160.5° | 145.1° |
| H21 | C20 | C21 | H23 | 41.3° | 173.6° |
| H22 | C20 | C21 | H23 | 162.1° | 66.4° |
| H23 | C21 | C22 | H24 | 43.5° | 0.1° |
| H23 | C21 | C22 | H25 | 165.5° | 121.3° |
| H23 | C21 | C25 | H30 | 43.9° | 145.6° |
| H23 | C21 | C25 | H31 | 165.7° | 22.9° |
| H24 | C22 | C23 | H26 | 96.9° | 23.0° |
| H24 | C22 | C23 | H27 | 24.0° | 145.5° |
| H25 | C22 | C23 | H26 | 25.1° | 98.4° |
| H25 | C22 | C23 | H27 | 146.0° | 24.1° |
| H26 | C23 | C24 | H28 | 0.1° | 38.2° |
| H26 | C23 | C24 | H29 | 120.9° | 84.9° |
| H27 | C23 | C24 | H28 | 121.0° | 160.8° |
| H27 | C23 | C24 | H29 | 0.0° | 37.7° |
| H28 | C24 | C25 | H30 | 96.8° | 161.0° |
| H28 | C24 | C25 | H31 | 25.0° | 38.2° |
| H29 | C24 | C25 | H30 | 24.2° | 37.7° |
| H29 | C24 | C25 | H31 | 146.0° | 85.0° |
| H32 | C26 | C27 | H33 | 0.5° | 0.0° |
