J18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | N02 | sing | 1.46Å | 1.47Å | |
| F03 | C09 | sing | 1.40Å | 1.32Å | |
| C04 | C05 | sing | 1.56Å | 1.50Å | |
| C04 | C03 | sing | 1.52Å | 1.55Å | |
| C10 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| O02 | S01 | doub | 1.42Å | 1.53Å | |
| C08 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.42Å | |
| C07 | S01 | sing | 1.76Å | 1.86Å | |
| N02 | S01 | sing | 1.66Å | 1.59Å | |
| N02 | C14 | sing | 1.45Å | 1.50Å | |
| F01 | C09 | sing | 1.40Å | 1.37Å | |
| C09 | F02 | sing | 1.40Å | 1.33Å | |
| C03 | N01 | sing | 1.42Å | 1.50Å | |
| S01 | O03 | doub | 1.42Å | 1.54Å | |
| N01 | C02 | sing | 1.43Å | 1.46Å | |
| N01 | C15 | sing | 1.49Å | 1.50Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | O01 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.56Å | 1.58Å | |
| C02 | C16 | sing | 1.56Å | 1.54Å | |
| C15 | C16 | sing | 1.52Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.42Å | |
| C17 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.41Å | |
| C23 | C22 | sing | 1.51Å | 1.40Å | |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.40Å | |
| C24 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H3A | sing | 1.08Å | 1.08Å | |
| C28 | H3B | sing | 1.08Å | 1.08Å | |
| C29 | H3C | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H05 | sing | 1.09Å | 1.10Å | |
| C03 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H07 | sing | 1.09Å | 1.10Å | |
| C04 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H09 | sing | 1.09Å | 1.10Å | |
| C05 | H08 | sing | 1.09Å | 1.10Å | |
| C06 | H1B | sing | 1.09Å | 1.10Å | |
| C06 | H1A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O01 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 120.1° | 119.9° |
| C11 | C12 | C13 | 119.4° | 120.0° |
| C12 | C11 | H11 | 119.9° | 120.0° |
| C11 | C12 | H12 | 120.3° | 119.9° |
| C11 | C10 | C08 | 121.5° | 120.0° |
| C10 | C11 | H11 | 119.9° | 120.0° |
| C11 | C10 | H10 | 119.3° | 120.0° |
| C12 | C13 | C07 | 121.8° | 120.0° |
| C13 | C12 | H12 | 120.3° | 120.0° |
| C12 | C13 | H13 | 119.1° | 120.0° |
| C05 | C06 | N02 | 113.4° | 113.5° |
| C06 | C05 | C04 | 103.1° | 110.9° |
| C06 | C05 | H09 | 111.0° | 109.2° |
| C06 | C05 | H08 | 111.0° | 109.1° |
| C05 | C06 | H1B | 108.5° | 108.7° |
| C05 | C06 | H1A | 108.5° | 108.6° |
| C06 | N02 | S01 | 115.2° | 115.2° |
| C06 | N02 | C14 | 113.2° | 129.5° |
| N02 | C06 | H1B | 108.4° | 108.7° |
| N02 | C06 | H1A | 108.5° | 108.7° |
| F03 | C09 | C08 | 110.3° | 109.5° |
| F03 | C09 | F01 | 108.2° | 109.4° |
| F03 | C09 | F02 | 109.3° | 109.5° |
| C05 | C04 | C03 | 109.6° | 108.9° |
| C05 | C04 | H07 | 109.4° | 109.5° |
| C05 | C04 | H06 | 109.4° | 109.6° |
| C04 | C05 | H09 | 111.0° | 109.2° |
| C04 | C05 | H08 | 111.0° | 109.2° |
| C04 | C03 | N01 | 120.7° | 107.4° |
| C04 | C03 | H05 | 106.6° | 109.8° |
| C04 | C03 | H04 | 106.6° | 109.9° |
| C03 | C04 | H07 | 109.5° | 109.5° |
| C03 | C04 | H06 | 109.4° | 109.5° |
| C10 | C08 | C07 | 118.3° | 120.0° |
| C10 | C08 | C09 | 117.7° | 120.0° |
| C08 | C10 | H10 | 119.2° | 120.0° |
| C13 | C07 | C08 | 119.0° | 120.0° |
| C13 | C07 | S01 | 113.9° | 120.0° |
| C07 | C13 | H13 | 119.1° | 120.0° |
| O02 | S01 | C07 | 112.8° | 106.4° |
| O02 | S01 | N02 | 109.3° | 106.4° |
| O02 | S01 | O03 | 110.8° | 123.2° |
| C07 | C08 | C09 | 124.0° | 120.0° |
| C08 | C07 | S01 | 127.1° | 120.0° |
| C08 | C09 | F01 | 110.0° | 109.5° |
| C08 | C09 | F02 | 110.5° | 109.5° |
| C07 | S01 | N02 | 100.8° | 107.2° |
| C07 | S01 | O03 | 111.7° | 106.4° |
| S01 | N02 | C14 | 115.5° | 115.3° |
| N02 | S01 | O03 | 111.1° | 106.4° |
| N02 | C14 | C15 | 121.4° | 104.6° |
| N02 | C14 | H14 | 106.4° | 110.4° |
| N02 | C14 | H31 | 106.4° | 110.6° |
| F01 | C09 | F02 | 108.5° | 109.5° |
| C03 | N01 | C02 | 109.8° | 128.3° |
| C03 | N01 | C15 | 116.5° | 113.9° |
| N01 | C03 | H05 | 106.6° | 109.9° |
| N01 | C03 | H04 | 106.6° | 109.9° |
| C02 | N01 | C15 | 88.4° | 90.6° |
| N01 | C02 | C01 | 111.1° | 114.4° |
| N01 | C02 | C16 | 86.2° | 82.4° |
| N01 | C02 | H03 | 115.1° | 114.4° |
| N01 | C15 | C14 | 117.0° | 100.1° |
| N01 | C15 | C16 | 85.3° | 81.8° |
| N01 | C15 | H15 | 114.9° | 119.2° |
| C02 | C01 | O01 | 110.4° | 109.5° |
| C01 | C02 | C16 | 113.9° | 114.4° |
| C02 | C01 | H01 | 109.3° | 109.5° |
| C02 | C01 | H02 | 109.3° | 109.5° |
| C01 | C02 | H03 | 114.0° | 113.4° |
| O01 | C01 | H01 | 109.3° | 109.4° |
| O01 | C01 | H02 | 109.3° | 109.5° |
| C01 | O01 | H32 | 109.5° | 114.0° |
| C14 | C15 | C16 | 108.2° | 118.4° |
| C15 | C14 | H14 | 106.4° | 110.4° |
| C15 | C14 | H31 | 106.4° | 110.4° |
| C14 | C15 | H15 | 113.6° | 115.4° |
| C02 | C16 | C15 | 84.8° | 85.0° |
| C02 | C16 | C17 | 112.8° | 114.0° |
| C16 | C02 | H03 | 113.8° | 114.4° |
| C02 | C16 | H16 | 112.4° | 113.9° |
| C15 | C16 | C17 | 116.5° | 114.0° |
| C16 | C15 | H15 | 114.5° | 116.4° |
| C15 | C16 | H16 | 112.6° | 113.9° |
| C16 | C17 | C30 | 121.5° | 119.9° |
| C16 | C17 | C18 | 121.0° | 119.8° |
| C17 | C16 | H16 | 114.3° | 113.2° |
| C30 | C17 | C18 | 117.6° | 120.3° |
| C17 | C30 | C29 | 119.5° | 120.1° |
| C17 | C30 | H30 | 120.3° | 120.0° |
| C17 | C18 | C19 | 122.8° | 120.1° |
| C17 | C18 | H18 | 118.6° | 120.0° |
| C30 | C29 | C20 | 122.6° | 119.9° |
| C30 | C29 | H3C | 118.7° | 120.0° |
| C29 | C30 | H30 | 120.2° | 120.0° |
| C18 | C19 | C20 | 119.8° | 119.9° |
| C19 | C18 | H18 | 118.6° | 119.9° |
| C18 | C19 | H19 | 120.1° | 120.1° |
| C29 | C20 | C19 | 117.8° | 119.8° |
| C29 | C20 | C21 | 120.6° | 120.2° |
| C20 | C29 | H3C | 118.7° | 120.1° |
| C19 | C20 | C21 | 121.6° | 120.1° |
| C20 | C19 | H19 | 120.1° | 120.1° |
| C20 | C21 | C22 | 122.8° | 120.1° |
| C20 | C21 | C28 | 117.9° | 120.1° |
| C23 | C22 | C21 | 121.5° | 120.1° |
| C23 | C22 | C24 | 119.0° | 120.0° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.4° | 109.5° |
| C22 | C23 | H23 | 109.4° | 109.4° |
| C22 | C21 | C28 | 119.2° | 119.8° |
| C21 | C22 | C24 | 119.4° | 119.9° |
| C21 | C28 | C27 | 121.0° | 119.9° |
| C21 | C28 | H3B | 119.5° | 120.1° |
| C22 | C24 | C25 | 123.3° | 119.9° |
| C22 | C24 | C26 | 120.1° | 120.1° |
| C28 | C27 | C26 | 119.7° | 120.1° |
| C28 | C27 | H3A | 120.2° | 119.9° |
| C27 | C28 | H3B | 119.5° | 120.1° |
| C25 | C24 | C26 | 116.6° | 119.9° |
| C24 | C25 | H26 | 109.5° | 109.4° |
| C24 | C25 | H27 | 109.4° | 109.5° |
| C24 | C25 | H28 | 109.5° | 109.5° |
| C24 | C26 | C27 | 120.6° | 120.3° |
| C24 | C26 | H29 | 119.7° | 119.9° |
| C27 | C26 | H29 | 119.7° | 119.8° |
| C26 | C27 | H3A | 120.1° | 120.0° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H23 | 109.5° | 109.5° |
| H25 | C23 | H23 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.4° | 109.4° |
| H26 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H01 | C01 | H02 | 109.4° | 109.4° |
| H05 | C03 | H04 | 109.5° | 109.8° |
| H07 | C04 | H06 | 109.4° | 109.7° |
| H09 | C05 | H08 | 109.5° | 109.2° |
| H1B | C06 | H1A | 109.5° | 108.5° |
| H14 | C14 | H31 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H11 | 180.0° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | C08 | 0.2° | 0.0° |
| C11 | C12 | C13 | C07 | 0.2° | 0.0° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C08 | H10 | 180.0° | 180.0° |
| C11 | C10 | C08 | C07 | 0.1° | 0.0° |
| C11 | C10 | C08 | C09 | 179.9° | 179.9° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C12 | C13 | C07 | H13 | 180.0° | 179.9° |
| C12 | C13 | C07 | C08 | 0.2° | 0.1° |
| C12 | C13 | C07 | S01 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 179.8° | 179.7° |
| C05 | C06 | N02 | H1B | 120.6° | 121.0° |
| C05 | C06 | N02 | H1A | 120.6° | 121.0° |
| C06 | C05 | C04 | H09 | 119.0° | 120.3° |
| C06 | C05 | C04 | H08 | 119.0° | 120.3° |
| C06 | C05 | C04 | C03 | 79.9° | 62.0° |
| C05 | C06 | N02 | S01 | 63.9° | 143.7° |
| C05 | C06 | N02 | C14 | 72.2° | 36.3° |
| C06 | C05 | C04 | H07 | 40.1° | 178.2° |
| C06 | C05 | C04 | H06 | 160.0° | 57.8° |
| C06 | C05 | H09 | H08 | 123.0° | 119.2° |
| C05 | C06 | H1B | H1A | 118.2° | 118.0° |
| N02 | C06 | C05 | C04 | 141.9° | 98.9° |
| C06 | N02 | S01 | O02 | 5.8° | 177.8° |
| C06 | N02 | S01 | C07 | 124.7° | 64.3° |
| C06 | N02 | S01 | C14 | 135.0° | 180.0° |
| C06 | N02 | S01 | O03 | 116.8° | 49.3° |
| C06 | N02 | C14 | C15 | 19.4° | 70.6° |
| N02 | C06 | C05 | H09 | 99.2° | 21.5° |
| N02 | C06 | C05 | H08 | 22.9° | 140.8° |
| N02 | C06 | H1B | H1A | 118.2° | 118.1° |
| C06 | N02 | C14 | H14 | 141.1° | 170.6° |
| C06 | N02 | C14 | H31 | 102.3° | 48.2° |
| F03 | C09 | C08 | C10 | 113.0° | 121.5° |
| F03 | C09 | C08 | C07 | 66.8° | 58.6° |
| F03 | C09 | C08 | F01 | 119.2° | 120.0° |
| F03 | C09 | C08 | F02 | 121.0° | 120.0° |
| F03 | C09 | F01 | F02 | 118.5° | 120.0° |
| C05 | C04 | C03 | H07 | 120.0° | 119.8° |
| C05 | C04 | C03 | H06 | 120.0° | 119.9° |
| C05 | C04 | C03 | N01 | 40.5° | 59.5° |
| C05 | C04 | C03 | H05 | 162.1° | 179.0° |
| C05 | C04 | C03 | H04 | 81.1° | 60.1° |
| C05 | C04 | H07 | H06 | 119.9° | 120.4° |
| C04 | C05 | H09 | H08 | 123.0° | 119.3° |
| C04 | C05 | C06 | H1B | 97.6° | 140.1° |
| C04 | C05 | C06 | H1A | 21.3° | 22.2° |
| C04 | C03 | N01 | H05 | 121.6° | 119.5° |
| C04 | C03 | N01 | H04 | 121.6° | 119.6° |
| C04 | C03 | N01 | C02 | 169.8° | 112.2° |
| C04 | C03 | N01 | C15 | 71.4° | 136.5° |
| C04 | C03 | H05 | H04 | 114.9° | 121.0° |
| C03 | C04 | H07 | H06 | 119.9° | 120.3° |
| C03 | C04 | C05 | H09 | 161.1° | 58.3° |
| C03 | C04 | C05 | H08 | 39.0° | 177.7° |
| C10 | C08 | C07 | C13 | 0.1° | 0.1° |
| C10 | C08 | C07 | C09 | 179.8° | 179.9° |
| C10 | C08 | C07 | S01 | 180.0° | 179.9° |
| C10 | C08 | C09 | F01 | 6.2° | 118.6° |
| C10 | C08 | C09 | F02 | 126.0° | 1.5° |
| C08 | C10 | C11 | H11 | 179.8° | 179.7° |
| C13 | C07 | S01 | O02 | 126.2° | 132.2° |
| C13 | C07 | C08 | S01 | 179.9° | 180.0° |
| C13 | C07 | C08 | C09 | 179.9° | 180.0° |
| C13 | C07 | S01 | N02 | 9.8° | 114.2° |
| C13 | C07 | S01 | O03 | 108.2° | 0.7° |
| C07 | C13 | C12 | H12 | 179.8° | 180.0° |
| O02 | S01 | C07 | C08 | 53.9° | 47.8° |
| O02 | S01 | C07 | N02 | 116.4° | 113.5° |
| O02 | S01 | C07 | O03 | 125.6° | 132.9° |
| O02 | S01 | N02 | O03 | 122.6° | 132.9° |
| O02 | S01 | N02 | C14 | 140.8° | 2.3° |
| C08 | C07 | S01 | N02 | 170.3° | 65.8° |
| C07 | C08 | C09 | F01 | 173.9° | 61.3° |
| C07 | C08 | C09 | F02 | 54.2° | 178.6° |
| C08 | C07 | S01 | O03 | 71.6° | 179.3° |
| C07 | C08 | C10 | H10 | 179.9° | 180.0° |
| C08 | C07 | C13 | H13 | 179.8° | 180.0° |
| C09 | C08 | C07 | S01 | 0.2° | 0.0° |
| C08 | C09 | F01 | F02 | 121.0° | 120.0° |
| C09 | C08 | C10 | H10 | 0.0° | 0.1° |
| C07 | S01 | N02 | O03 | 118.5° | 113.6° |
| C07 | S01 | N02 | C14 | 100.3° | 115.8° |
| S01 | C07 | C13 | H13 | 0.0° | 0.0° |
| S01 | N02 | C14 | C15 | 116.5° | 109.3° |
| S01 | N02 | C06 | H1B | 56.7° | 22.7° |
| S01 | N02 | C06 | H1A | 175.6° | 95.3° |
| S01 | N02 | C14 | H14 | 5.2° | 9.4° |
| S01 | N02 | C14 | H31 | 121.9° | 131.9° |
| C14 | N02 | S01 | O03 | 18.2° | 130.7° |
| N02 | C14 | C15 | N01 | 55.9° | 48.4° |
| N02 | C14 | C15 | H14 | 121.7° | 118.8° |
| N02 | C14 | C15 | H31 | 121.6° | 118.9° |
| N02 | C14 | C15 | C16 | 149.9° | 37.6° |
| C14 | N02 | C06 | H1B | 167.2° | 157.4° |
| C14 | N02 | C06 | H1A | 48.4° | 84.7° |
| N02 | C14 | H14 | H31 | 114.6° | 122.6° |
| N02 | C14 | C15 | H15 | 81.7° | 177.7° |
| C03 | N01 | C02 | C15 | 117.7° | 121.6° |
| C03 | N01 | C02 | C01 | 98.9° | 91.5° |
| C03 | N01 | C15 | C14 | 111.0° | 75.0° |
| C03 | N01 | C02 | C16 | 146.9° | 155.1° |
| C03 | N01 | C15 | C16 | 140.9° | 167.4° |
| C03 | N01 | C02 | H03 | 32.5° | 41.7° |
| N01 | C03 | H05 | H04 | 114.9° | 121.0° |
| N01 | C03 | C04 | H07 | 79.5° | 179.2° |
| N01 | C03 | C04 | H06 | 160.6° | 60.4° |
| C03 | N01 | C15 | H15 | 26.1° | 51.8° |
| N01 | C02 | C01 | C16 | 95.3° | 92.7° |
| N01 | C02 | C01 | H03 | 132.0° | 133.7° |
| N01 | C02 | C01 | O01 | 137.4° | 88.8° |
| C02 | N01 | C15 | C14 | 137.7° | 152.0° |
| N01 | C02 | C16 | H03 | 115.8° | 113.4° |
| C02 | N01 | C15 | C16 | 29.6° | 34.4° |
| N01 | C02 | C16 | C17 | 145.5° | 147.0° |
| N01 | C02 | C01 | H01 | 17.2° | 151.2° |
| N01 | C02 | C01 | H02 | 102.5° | 31.3° |
| C02 | N01 | C03 | H05 | 68.6° | 7.3° |
| C02 | N01 | C03 | H04 | 48.2° | 128.2° |
| C02 | N01 | C15 | H15 | 85.3° | 81.2° |
| N01 | C02 | C16 | H16 | 83.5° | 81.1° |
| C15 | N01 | C02 | C01 | 143.4° | 146.9° |
| N01 | C15 | C14 | C16 | 94.1° | 86.1° |
| N01 | C15 | C14 | H15 | 137.6° | 129.3° |
| N01 | C15 | C16 | H15 | 115.3° | 118.6° |
| N01 | C15 | C16 | C17 | 141.1° | 145.6° |
| C15 | N01 | C02 | H03 | 85.2° | 79.9° |
| C15 | N01 | C03 | H05 | 167.1° | 104.1° |
| C15 | N01 | C03 | H04 | 50.2° | 16.9° |
| N01 | C15 | C14 | H14 | 177.5° | 167.2° |
| N01 | C15 | C14 | H31 | 65.8° | 70.5° |
| N01 | C15 | C16 | H16 | 84.1° | 82.4° |
| C02 | C01 | O01 | H01 | 120.1° | 120.0° |
| C02 | C01 | O01 | H02 | 120.1° | 120.0° |
| C01 | C02 | C16 | H03 | 132.8° | 133.2° |
| C01 | C02 | C16 | C15 | 140.3° | 146.3° |
| C01 | C02 | C16 | C17 | 103.1° | 99.6° |
| C02 | C01 | H01 | H02 | 119.6° | 120.0° |
| C01 | C02 | C16 | H16 | 28.0° | 32.3° |
| C02 | C01 | O01 | H32 | 180.0° | 180.0° |
| O01 | C01 | C02 | C16 | 42.1° | 178.6° |
| O01 | C01 | H01 | H02 | 119.6° | 120.0° |
| O01 | C01 | C02 | H03 | 90.7° | 44.9° |
| C14 | C15 | C16 | C02 | 145.0° | 128.6° |
| C14 | C15 | C16 | H15 | 127.8° | 144.3° |
| C14 | C15 | C16 | C17 | 102.0° | 117.3° |
| C15 | C14 | H14 | H31 | 114.6° | 122.3° |
| C14 | C15 | C16 | H16 | 32.9° | 14.7° |
| C02 | C16 | C15 | C17 | 113.0° | 114.1° |
| C02 | C16 | C15 | H16 | 112.1° | 114.0° |
| C02 | C16 | C17 | H16 | 130.1° | 132.3° |
| C02 | C16 | C17 | C30 | 139.1° | 142.2° |
| C02 | C16 | C17 | C18 | 39.8° | 38.1° |
| C16 | C02 | C01 | H01 | 78.1° | 58.6° |
| C16 | C02 | C01 | H02 | 162.2° | 61.4° |
| C02 | C16 | C15 | H15 | 87.2° | 87.1° |
| C15 | C16 | C17 | H16 | 134.1° | 132.3° |
| C15 | C16 | C17 | C30 | 125.1° | 122.4° |
| C15 | C16 | C17 | C18 | 56.0° | 57.3° |
| C15 | C16 | C02 | H03 | 86.9° | 80.5° |
| C16 | C15 | C14 | H14 | 88.4° | 81.1° |
| C16 | C15 | C14 | H31 | 28.3° | 156.5° |
| C16 | C17 | C30 | C18 | 179.0° | 179.7° |
| C16 | C17 | C30 | C29 | 179.3° | 180.0° |
| C16 | C17 | C18 | C19 | 179.3° | 180.0° |
| C17 | C16 | C02 | H03 | 29.7° | 33.5° |
| C17 | C16 | C15 | H15 | 25.8° | 27.0° |
| C16 | C17 | C18 | H18 | 0.7° | 0.0° |
| C16 | C17 | C30 | H30 | 0.7° | 0.3° |
| C17 | C30 | C29 | H30 | 180.0° | 179.7° |
| C30 | C17 | C18 | C19 | 0.4° | 0.3° |
| C17 | C30 | C29 | C20 | 0.4° | 0.1° |
| C17 | C30 | C29 | H3C | 179.6° | 180.0° |
| C30 | C17 | C16 | H16 | 9.1° | 9.9° |
| C30 | C17 | C18 | H18 | 179.6° | 179.7° |
| C18 | C17 | C30 | C29 | 0.3° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C18 | C17 | C16 | H16 | 169.9° | 170.4° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C18 | C17 | C30 | H30 | 179.7° | 180.0° |
| C30 | C29 | C20 | H3C | 180.0° | 180.0° |
| C30 | C29 | C20 | C19 | 0.4° | 0.2° |
| C30 | C29 | C20 | C21 | 179.1° | 180.0° |
| C18 | C19 | C20 | C29 | 0.5° | 0.3° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.1° | 180.0° |
| C29 | C20 | C19 | C21 | 179.5° | 179.7° |
| C29 | C20 | C21 | C22 | 104.6° | 130.0° |
| C29 | C20 | C21 | C28 | 74.1° | 50.3° |
| C29 | C20 | C19 | H19 | 179.5° | 179.7° |
| C20 | C29 | C30 | H30 | 179.7° | 179.7° |
| C19 | C20 | C21 | C22 | 74.9° | 50.3° |
| C19 | C20 | C21 | C28 | 106.4° | 129.4° |
| C19 | C20 | C29 | H3C | 179.6° | 179.7° |
| C20 | C19 | C18 | H18 | 179.6° | 180.0° |
| C20 | C21 | C22 | C23 | 1.0° | 0.0° |
| C20 | C21 | C22 | C28 | 178.7° | 179.7° |
| C20 | C21 | C22 | C24 | 178.9° | 180.0° |
| C20 | C21 | C28 | C27 | 179.3° | 179.7° |
| C20 | C21 | C28 | H3B | 0.7° | 0.0° |
| C21 | C20 | C29 | H3C | 0.9° | 0.0° |
| C21 | C20 | C19 | H19 | 0.9° | 0.0° |
| C23 | C22 | C21 | C24 | 179.9° | 180.0° |
| C23 | C22 | C21 | C28 | 179.7° | 179.7° |
| C23 | C22 | C24 | C25 | 0.5° | 0.1° |
| C23 | C22 | C24 | C26 | 179.9° | 180.0° |
| C22 | C23 | H24 | H25 | 120.0° | 120.0° |
| C22 | C23 | H24 | H23 | 120.0° | 120.0° |
| C22 | C23 | H25 | H23 | 119.9° | 119.9° |
| C22 | C21 | C28 | C27 | 0.6° | 0.6° |
| C21 | C22 | C24 | C25 | 179.6° | 179.9° |
| C21 | C22 | C24 | C26 | 0.2° | 0.0° |
| C21 | C22 | C23 | H24 | 90.0° | 90.0° |
| C21 | C22 | C23 | H25 | 149.9° | 150.0° |
| C21 | C22 | C23 | H23 | 30.0° | 30.0° |
| C22 | C21 | C28 | H3B | 179.4° | 179.7° |
| C28 | C21 | C22 | C24 | 0.2° | 0.3° |
| C21 | C28 | C27 | H3B | 180.0° | 179.7° |
| C21 | C28 | C27 | C26 | 0.5° | 0.6° |
| C21 | C28 | C27 | H3A | 179.5° | 179.8° |
| C22 | C24 | C25 | C26 | 179.5° | 180.0° |
| C22 | C24 | C26 | C27 | 0.3° | 0.0° |
| C24 | C22 | C23 | H24 | 90.0° | 90.0° |
| C24 | C22 | C23 | H25 | 30.0° | 30.1° |
| C24 | C22 | C23 | H23 | 150.0° | 150.0° |
| C22 | C24 | C25 | H26 | 89.7° | 90.0° |
| C22 | C24 | C25 | H27 | 150.3° | 150.0° |
| C22 | C24 | C25 | H28 | 30.3° | 29.9° |
| C22 | C24 | C26 | H29 | 179.7° | 180.0° |
| C28 | C27 | C26 | C24 | 0.1° | 0.3° |
| C28 | C27 | C26 | H3A | 180.0° | 179.7° |
| C28 | C27 | C26 | H29 | 179.9° | 179.7° |
| C25 | C24 | C26 | C27 | 179.7° | 180.0° |
| C24 | C25 | H26 | H27 | 120.0° | 120.0° |
| C24 | C25 | H26 | H28 | 120.0° | 120.0° |
| C24 | C25 | H27 | H28 | 120.0° | 120.0° |
| C25 | C24 | C26 | H29 | 0.3° | 0.1° |
| C24 | C26 | C27 | H29 | 180.0° | 180.0° |
| C26 | C24 | C25 | H26 | 89.8° | 90.0° |
| C26 | C24 | C25 | H27 | 30.2° | 29.9° |
| C26 | C24 | C25 | H28 | 150.2° | 150.0° |
| C24 | C26 | C27 | H3A | 179.9° | 179.9° |
| C26 | C27 | C28 | H3B | 179.5° | 179.8° |
| H24 | C23 | H25 | H23 | 120.0° | 120.0° |
| H26 | C25 | H27 | H28 | 120.0° | 120.0° |
| H29 | C26 | C27 | H3A | 0.1° | 0.0° |
| H3A | C27 | C28 | H3B | 0.5° | 0.1° |
| H3C | C29 | C30 | H30 | 0.3° | 0.3° |
| H11 | C11 | C10 | H10 | 0.2° | 0.3° |
| H11 | C11 | C12 | H12 | 0.2° | 0.3° |
| H01 | C01 | C02 | H03 | 149.2° | 75.1° |
| H01 | C01 | O01 | H32 | 59.8° | 60.0° |
| H02 | C01 | C02 | H03 | 29.5° | 165.0° |
| H02 | C01 | O01 | H32 | 59.9° | 60.0° |
| H03 | C02 | C16 | H16 | 160.8° | 165.5° |
| H05 | C03 | C04 | H07 | 42.0° | 61.3° |
| H05 | C03 | C04 | H06 | 77.9° | 59.1° |
| H04 | C03 | C04 | H07 | 158.9° | 59.7° |
| H04 | C03 | C04 | H06 | 39.0° | 180.0° |
| H07 | C04 | C05 | H09 | 78.8° | 61.5° |
| H07 | C04 | C05 | H08 | 159.1° | 57.9° |
| H06 | C04 | C05 | H09 | 41.1° | 178.1° |
| H06 | C04 | C05 | H08 | 81.0° | 62.5° |
| H09 | C05 | C06 | H1B | 21.4° | 99.6° |
| H09 | C05 | C06 | H1A | 140.2° | 142.6° |
| H08 | C05 | C06 | H1B | 143.4° | 19.7° |
| H08 | C05 | C06 | H1A | 97.7° | 98.1° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| H14 | C14 | C15 | H15 | 39.9° | 63.5° |
| H31 | C14 | C15 | H15 | 156.6° | 58.8° |
| H15 | C15 | C16 | H16 | 160.7° | 158.9° |
| H18 | C18 | C19 | H19 | 0.5° | 0.0° |
