JB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C22 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C22 | C20 | sing | 1.53Å | 1.59Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | O03 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C17 | sing | 1.53Å | 1.59Å | |
| C17 | C16 | sing | 1.55Å | 1.58Å | |
| C17 | C13 | sing | 1.52Å | 1.58Å | |
| C16 | C15 | sing | 1.55Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.55Å | 1.56Å | |
| C14 | C08 | sing | 1.50Å | 1.58Å | |
| C13 | C18 | sing | 1.53Å | 1.59Å | |
| C13 | C12 | sing | 1.51Å | 1.57Å | |
| C12 | C11 | sing | 1.54Å | 1.57Å | |
| C11 | C09 | sing | 1.53Å | 1.56Å | |
| C09 | C08 | sing | 1.52Å | 1.56Å | |
| C08 | C07 | doub | 1.33Å | 1.41Å | |
| C07 | C06 | sing | 1.47Å | 1.42Å | |
| C06 | C05 | doub | 1.35Å | 1.44Å | |
| C05 | C04 | sing | 1.52Å | 1.57Å | |
| C05 | C10 | sing | 1.48Å | 1.44Å | |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| C03 | O02 | sing | 1.43Å | 1.43Å | |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C01 | sing | 1.53Å | 1.57Å | |
| C01 | O01 | sing | 1.43Å | 1.43Å | |
| C01 | C10 | sing | 1.52Å | 1.57Å | |
| C10 | C19 | doub | 1.33Å | 1.41Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| O03 | HO03 | sing | 0.97Å | 0.95Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| O02 | HO02 | sing | 0.97Å | 0.95Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| O01 | HO01 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H19A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 111.2° | 109.4° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H31A | 109.5° | 109.5° |
| C30 | C31 | H31B | 109.5° | 109.5° |
| C31 | C30 | H30 | 108.9° | 109.5° |
| C31 | C30 | H30A | 108.5° | 109.5° |
| C30 | C29 | C28 | 111.5° | 109.5° |
| C29 | C30 | H30 | 108.9° | 109.5° |
| C29 | C30 | H30A | 108.5° | 109.5° |
| C30 | C29 | H29 | 108.8° | 109.5° |
| C30 | C29 | H29A | 108.3° | 109.5° |
| C29 | C28 | C22 | 114.8° | 109.5° |
| C28 | C29 | H29 | 108.8° | 109.5° |
| C28 | C29 | H29A | 108.3° | 109.5° |
| C29 | C28 | H28 | 107.7° | 109.5° |
| C29 | C28 | H28A | 106.5° | 109.5° |
| C28 | C22 | C23 | 112.2° | 109.4° |
| C28 | C22 | C20 | 114.9° | 109.5° |
| C22 | C28 | H28 | 107.7° | 109.5° |
| C22 | C28 | H28A | 106.5° | 109.5° |
| C28 | C22 | H22 | 103.5° | 109.5° |
| C23 | C22 | C20 | 109.5° | 109.5° |
| C22 | C23 | C24 | 122.9° | 109.4° |
| C23 | C22 | H22 | 109.7° | 109.5° |
| C22 | C23 | H23 | 105.2° | 109.5° |
| C22 | C23 | H23A | 102.1° | 109.5° |
| C22 | C20 | C21 | 115.3° | 109.5° |
| C22 | C20 | C17 | 107.3° | 109.4° |
| C20 | C22 | H22 | 106.6° | 109.5° |
| C22 | C20 | H20 | 108.4° | 109.5° |
| C23 | C24 | O03 | 112.8° | 109.5° |
| C24 | C23 | H23 | 105.2° | 109.5° |
| C24 | C23 | H23A | 102.1° | 109.4° |
| C23 | C24 | H24 | 108.4° | 109.5° |
| C23 | C24 | H24A | 107.6° | 109.4° |
| O03 | C24 | H24 | 108.4° | 109.5° |
| O03 | C24 | H24A | 107.6° | 109.5° |
| C24 | O03 | HO03 | 109.5° | 114.0° |
| C21 | C20 | C17 | 113.3° | 109.5° |
| C21 | C20 | H20 | 101.7° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.5° | 109.5° |
| C20 | C21 | H21B | 109.5° | 109.5° |
| C20 | C17 | C16 | 110.7° | 110.4° |
| C20 | C17 | C13 | 122.5° | 110.3° |
| C17 | C20 | H20 | 110.6° | 109.4° |
| C20 | C17 | H17 | 97.0° | 110.3° |
| C16 | C17 | C13 | 102.4° | 105.0° |
| C17 | C16 | C15 | 108.0° | 106.4° |
| C16 | C17 | H17 | 119.1° | 110.3° |
| C17 | C16 | H16 | 110.0° | 110.1° |
| C17 | C16 | H16A | 110.2° | 110.1° |
| C17 | C13 | C14 | 93.2° | 103.2° |
| C17 | C13 | C18 | 112.1° | 109.3° |
| C17 | C13 | C12 | 115.5° | 118.3° |
| C13 | C17 | H17 | 106.2° | 110.4° |
| C16 | C15 | C14 | 99.2° | 102.7° |
| C15 | C16 | H16 | 109.9° | 110.1° |
| C15 | C16 | H16A | 110.3° | 110.1° |
| C16 | C15 | H15 | 113.1° | 110.8° |
| C16 | C15 | H15A | 115.1° | 110.8° |
| C15 | C14 | C13 | 106.0° | 101.2° |
| C15 | C14 | C08 | 115.4° | 116.7° |
| C14 | C15 | H15 | 113.0° | 110.7° |
| C14 | C15 | H15A | 115.2° | 110.8° |
| C15 | C14 | H14 | 107.9° | 110.7° |
| C13 | C14 | C08 | 109.7° | 105.6° |
| C14 | C13 | C18 | 119.3° | 109.2° |
| C14 | C13 | C12 | 106.8° | 107.6° |
| C13 | C14 | H14 | 113.9° | 110.9° |
| C14 | C08 | C09 | 115.2° | 115.2° |
| C14 | C08 | C07 | 123.5° | 122.4° |
| C08 | C14 | H14 | 104.2° | 111.1° |
| C18 | C13 | C12 | 109.4° | 108.8° |
| C13 | C18 | H18 | 109.5° | 109.5° |
| C13 | C18 | H18A | 109.5° | 109.5° |
| C13 | C18 | H18B | 109.5° | 109.4° |
| C13 | C12 | C11 | 114.5° | 107.6° |
| C13 | C12 | H12 | 107.9° | 109.9° |
| C13 | C12 | H12A | 106.7° | 109.8° |
| C12 | C11 | C09 | 113.2° | 111.8° |
| C11 | C12 | H12 | 107.8° | 109.8° |
| C11 | C12 | H12A | 106.7° | 109.8° |
| C12 | C11 | H11 | 108.3° | 109.0° |
| C12 | C11 | H11A | 107.4° | 109.0° |
| C11 | C09 | C08 | 113.5° | 110.7° |
| C09 | C11 | H11 | 108.2° | 109.0° |
| C09 | C11 | H11A | 107.4° | 109.0° |
| C11 | C09 | H09 | 108.2° | 109.2° |
| C11 | C09 | H09A | 107.3° | 109.3° |
| C09 | C08 | C07 | 121.3° | 122.4° |
| C08 | C09 | H09 | 108.2° | 109.2° |
| C08 | C09 | H09A | 107.2° | 109.2° |
| C08 | C07 | C06 | 126.8° | 120.0° |
| C08 | C07 | H07 | 116.6° | 120.0° |
| C07 | C06 | C05 | 126.5° | 120.0° |
| C06 | C07 | H07 | 116.6° | 120.0° |
| C07 | C06 | H06 | 116.7° | 120.0° |
| C06 | C05 | C04 | 119.6° | 121.6° |
| C06 | C05 | C10 | 125.4° | 121.6° |
| C05 | C06 | H06 | 116.8° | 120.0° |
| C04 | C05 | C10 | 115.0° | 116.8° |
| C05 | C04 | C03 | 112.8° | 108.4° |
| C05 | C04 | H04 | 108.4° | 109.7° |
| C05 | C04 | H04A | 107.6° | 109.7° |
| C05 | C10 | C01 | 116.5° | 116.5° |
| C05 | C10 | C19 | 125.4° | 121.7° |
| C04 | C03 | O02 | 109.1° | 109.4° |
| C04 | C03 | C02 | 111.1° | 109.8° |
| C03 | C04 | H04 | 108.4° | 109.7° |
| C03 | C04 | H04A | 107.6° | 109.8° |
| C04 | C03 | H03 | 108.7° | 109.4° |
| O02 | C03 | C02 | 109.8° | 109.4° |
| O02 | C03 | H03 | 110.1° | 109.4° |
| C03 | O02 | HO02 | 109.5° | 114.0° |
| C03 | C02 | C01 | 112.2° | 109.7° |
| C02 | C03 | H03 | 108.0° | 109.4° |
| C03 | C02 | H02 | 108.6° | 109.4° |
| C03 | C02 | H02A | 107.9° | 109.5° |
| C02 | C01 | O01 | 108.9° | 109.7° |
| C02 | C01 | C10 | 110.6° | 108.3° |
| C01 | C02 | H02 | 108.6° | 109.4° |
| C01 | C02 | H02A | 107.9° | 109.4° |
| C02 | C01 | H01 | 109.5° | 109.6° |
| O01 | C01 | C10 | 110.6° | 109.9° |
| O01 | C01 | H01 | 109.5° | 109.7° |
| C01 | O01 | HO01 | 109.5° | 114.0° |
| C01 | C10 | C19 | 118.1° | 121.8° |
| C10 | C01 | H01 | 107.7° | 109.6° |
| C10 | C19 | H19 | 106.0° | 120.0° |
| C10 | C19 | H19A | 127.0° | 120.0° |
| H31 | C31 | H31A | 109.5° | 109.5° |
| H31 | C31 | H31B | 109.5° | 109.4° |
| H31A | C31 | H31B | 109.5° | 109.4° |
| H30 | C30 | H30A | 110.8° | 109.5° |
| H29 | C29 | H29A | 111.1° | 109.4° |
| H28 | C28 | H28A | 113.7° | 109.4° |
| H23 | C23 | H23A | 120.8° | 109.5° |
| H24 | C24 | H24A | 112.1° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.4° |
| H16 | C16 | H16A | 108.4° | 110.1° |
| H15 | C15 | H15A | 101.9° | 110.8° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H12 | C12 | H12A | 113.4° | 109.9° |
| H11 | C11 | H11A | 112.4° | 109.0° |
| H09 | C09 | H09A | 112.6° | 109.2° |
| H04 | C04 | H04A | 112.1° | 109.7° |
| H02 | C02 | H02A | 111.6° | 109.4° |
| H19 | C19 | H19A | 127.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H30 | 120.0° | 120.0° |
| C31 | C30 | C29 | H30A | 119.3° | 120.0° |
| C31 | C30 | C29 | C28 | 145.3° | 180.0° |
| C30 | C31 | H31 | H31A | 120.0° | 120.0° |
| C30 | C31 | H31 | H31B | 120.0° | 120.0° |
| C30 | C31 | H31A | H31B | 120.0° | 120.0° |
| C31 | C30 | H30 | H30A | 119.3° | 120.0° |
| C31 | C30 | C29 | H29 | 25.3° | 60.0° |
| C31 | C30 | C29 | H29A | 95.6° | 60.0° |
| C30 | C29 | C28 | H29 | 120.0° | 120.1° |
| C30 | C29 | C28 | H29A | 119.1° | 120.0° |
| C30 | C29 | C28 | C22 | 84.1° | 180.0° |
| C29 | C30 | C31 | H31 | 102.7° | 60.0° |
| C29 | C30 | C31 | H31A | 137.3° | 60.0° |
| C29 | C30 | C31 | H31B | 17.3° | 180.0° |
| C29 | C30 | H30 | H30A | 119.3° | 120.0° |
| C30 | C29 | H29 | H29A | 119.2° | 120.0° |
| C30 | C29 | C28 | H28 | 155.8° | 60.0° |
| C30 | C29 | C28 | H28A | 33.5° | 60.0° |
| C29 | C28 | C22 | H28 | 120.0° | 120.0° |
| C29 | C28 | C22 | H28A | 117.6° | 120.0° |
| C29 | C28 | C22 | C23 | 60.8° | 65.0° |
| C29 | C28 | C22 | C20 | 173.3° | 175.0° |
| C28 | C29 | C30 | H30 | 94.7° | 60.0° |
| C28 | C29 | C30 | H30A | 26.0° | 60.0° |
| C28 | C29 | H29 | H29A | 119.1° | 120.0° |
| C29 | C28 | H28 | H28A | 117.8° | 120.0° |
| C29 | C28 | C22 | H22 | 57.5° | 55.0° |
| C28 | C22 | C23 | C20 | 128.9° | 120.0° |
| C28 | C22 | C23 | H22 | 114.4° | 120.0° |
| C28 | C22 | C20 | H22 | 114.0° | 120.0° |
| C28 | C22 | C23 | C24 | 69.6° | 174.6° |
| C28 | C22 | C20 | C21 | 22.4° | 57.8° |
| C28 | C22 | C20 | C17 | 104.9° | 62.2° |
| C22 | C28 | C29 | H29 | 35.9° | 59.9° |
| C22 | C28 | C29 | H29A | 156.7° | 60.0° |
| C22 | C28 | H28 | H28A | 117.8° | 120.0° |
| C28 | C22 | C23 | H23 | 170.4° | 54.6° |
| C28 | C22 | C23 | H23A | 43.5° | 65.5° |
| C28 | C22 | C20 | H20 | 135.6° | 177.8° |
| C23 | C22 | C20 | H22 | 118.6° | 120.1° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 113.1° | 120.0° |
| C22 | C23 | C24 | O03 | 167.5° | 175.9° |
| C23 | C22 | C20 | C21 | 105.0° | 62.1° |
| C23 | C22 | C20 | C17 | 127.7° | 177.9° |
| C23 | C22 | C28 | H28 | 59.3° | 55.0° |
| C23 | C22 | C28 | H28A | 178.4° | 175.0° |
| C22 | C23 | H23 | H23A | 114.5° | 120.1° |
| C22 | C23 | C24 | H24 | 72.5° | 55.9° |
| C22 | C23 | C24 | H24A | 49.0° | 64.1° |
| C23 | C22 | C20 | H20 | 8.2° | 57.9° |
| C20 | C22 | C23 | C24 | 59.2° | 65.5° |
| C22 | C20 | C21 | C17 | 124.2° | 120.0° |
| C22 | C20 | C21 | H20 | 117.1° | 120.0° |
| C22 | C20 | C17 | H20 | 118.1° | 120.0° |
| C22 | C20 | C17 | C16 | 42.9° | 57.1° |
| C22 | C20 | C17 | C13 | 163.8° | 172.7° |
| C20 | C22 | C28 | H28 | 66.7° | 64.9° |
| C20 | C22 | C28 | H28A | 55.7° | 55.0° |
| C20 | C22 | C23 | H23 | 60.8° | 174.6° |
| C20 | C22 | C23 | H23A | 172.4° | 54.5° |
| C22 | C20 | C21 | H21 | 53.3° | 60.0° |
| C22 | C20 | C21 | H21A | 173.3° | 180.0° |
| C22 | C20 | C21 | H21B | 66.7° | 60.0° |
| C22 | C20 | C17 | H17 | 81.8° | 65.1° |
| C23 | C24 | O03 | H24 | 120.0° | 120.0° |
| C23 | C24 | O03 | H24A | 118.6° | 119.9° |
| C24 | C23 | C22 | H22 | 175.9° | 54.6° |
| C24 | C23 | H23 | H23A | 114.4° | 119.9° |
| C23 | C24 | H24 | H24A | 118.7° | 119.9° |
| C23 | C24 | O03 | HO03 | 67.7° | 180.0° |
| O03 | C24 | C23 | H23 | 47.5° | 64.1° |
| O03 | C24 | C23 | H23A | 79.3° | 55.9° |
| O03 | C24 | H24 | H24A | 118.6° | 120.0° |
| C21 | C20 | C17 | H20 | 113.5° | 120.0° |
| C21 | C20 | C17 | C16 | 171.3° | 177.1° |
| C21 | C20 | C17 | C13 | 67.7° | 67.2° |
| C21 | C20 | C22 | H22 | 136.4° | 177.8° |
| C20 | C21 | H21 | H21A | 120.0° | 120.1° |
| C20 | C21 | H21 | H21B | 120.0° | 120.0° |
| C20 | C21 | H21A | H21B | 120.0° | 120.0° |
| C21 | C20 | C17 | H17 | 46.6° | 55.0° |
| C20 | C17 | C16 | C13 | 132.2° | 118.9° |
| C20 | C17 | C16 | H17 | 111.1° | 122.1° |
| C20 | C17 | C13 | H17 | 109.6° | 122.1° |
| C20 | C17 | C16 | C15 | 154.1° | 122.8° |
| C20 | C17 | C13 | C14 | 169.0° | 149.1° |
| C20 | C17 | C13 | C18 | 45.5° | 33.0° |
| C20 | C17 | C13 | C12 | 80.7° | 92.2° |
| C17 | C20 | C22 | H22 | 9.1° | 57.8° |
| C17 | C20 | C21 | H21 | 70.9° | 60.0° |
| C17 | C20 | C21 | H21A | 49.1° | 60.0° |
| C17 | C20 | C21 | H21B | 169.1° | 180.0° |
| C20 | C17 | C16 | H16 | 85.9° | 117.9° |
| C20 | C17 | C16 | H16A | 33.6° | 3.6° |
| C16 | C17 | C13 | H17 | 125.6° | 118.9° |
| C17 | C16 | C15 | H16 | 120.0° | 119.2° |
| C17 | C16 | C15 | H16A | 120.5° | 119.2° |
| C17 | C16 | C15 | C14 | 12.0° | 24.2° |
| C16 | C17 | C13 | C14 | 44.3° | 30.2° |
| C16 | C17 | C13 | C18 | 79.2° | 85.9° |
| C16 | C17 | C13 | C12 | 154.6° | 148.9° |
| C16 | C17 | C20 | H20 | 75.2° | 62.8° |
| C17 | C16 | H16 | H16A | 120.6° | 121.5° |
| C17 | C16 | C15 | H15 | 131.9° | 142.5° |
| C17 | C16 | C15 | H15A | 111.5° | 94.2° |
| C13 | C17 | C16 | C15 | 21.9° | 4.0° |
| C17 | C13 | C14 | C15 | 56.1° | 45.6° |
| C17 | C13 | C14 | C18 | 117.6° | 116.2° |
| C17 | C13 | C14 | C12 | 117.8° | 125.9° |
| C17 | C13 | C14 | C08 | 178.7° | 167.6° |
| C17 | C13 | C18 | C12 | 129.4° | 130.6° |
| C17 | C13 | C12 | C11 | 162.4° | 175.6° |
| C13 | C17 | C20 | H20 | 45.7° | 52.8° |
| C13 | C17 | C16 | H16 | 141.9° | 123.2° |
| C13 | C17 | C16 | H16A | 98.7° | 115.3° |
| C17 | C13 | C14 | H14 | 62.4° | 72.0° |
| C17 | C13 | C18 | H18 | 79.7° | 68.7° |
| C17 | C13 | C18 | H18A | 160.2° | 171.3° |
| C17 | C13 | C18 | H18B | 40.2° | 51.3° |
| C17 | C13 | C12 | H12 | 77.5° | 56.1° |
| C17 | C13 | C12 | H12A | 44.7° | 64.9° |
| C16 | C15 | C14 | H15 | 120.0° | 118.3° |
| C16 | C15 | C14 | H15A | 123.4° | 118.3° |
| C16 | C15 | C14 | C13 | 43.6° | 42.3° |
| C16 | C15 | C14 | C08 | 165.3° | 156.2° |
| C15 | C16 | C17 | H17 | 94.8° | 115.0° |
| C15 | C16 | H16 | H16A | 120.6° | 121.6° |
| C16 | C15 | H15 | H15A | 124.2° | 123.3° |
| C16 | C15 | C14 | H14 | 78.7° | 75.4° |
| C15 | C14 | C13 | C08 | 125.2° | 122.1° |
| C15 | C14 | C13 | H14 | 118.5° | 117.5° |
| C15 | C14 | C08 | H14 | 118.1° | 128.2° |
| C15 | C14 | C13 | C18 | 61.5° | 70.6° |
| C15 | C14 | C13 | C12 | 173.9° | 171.5° |
| C15 | C14 | C08 | C09 | 175.1° | 169.7° |
| C15 | C14 | C08 | C07 | 3.7° | 10.4° |
| C14 | C15 | C16 | H16 | 108.1° | 95.0° |
| C14 | C15 | C16 | H16A | 132.5° | 143.4° |
| C14 | C15 | H15 | H15A | 124.2° | 123.4° |
| C13 | C14 | C08 | H14 | 122.2° | 120.3° |
| C14 | C13 | C18 | C12 | 123.3° | 117.2° |
| C14 | C13 | C12 | C11 | 60.5° | 68.0° |
| C13 | C14 | C08 | C09 | 55.4° | 58.2° |
| C13 | C14 | C08 | C07 | 123.4° | 121.9° |
| C14 | C13 | C17 | H17 | 81.3° | 88.7° |
| C13 | C14 | C15 | H15 | 163.6° | 160.6° |
| C13 | C14 | C15 | H15A | 79.8° | 76.0° |
| C14 | C13 | C18 | H18 | 173.0° | 179.0° |
| C14 | C13 | C18 | H18A | 53.0° | 59.0° |
| C14 | C13 | C18 | H18B | 67.0° | 61.0° |
| C14 | C13 | C12 | H12 | 179.5° | 172.4° |
| C14 | C13 | C12 | H12A | 57.3° | 51.5° |
| C08 | C14 | C13 | C18 | 63.8° | 51.4° |
| C08 | C14 | C13 | C12 | 60.9° | 66.5° |
| C14 | C08 | C09 | C11 | 43.6° | 50.2° |
| C14 | C08 | C09 | C07 | 178.8° | 180.0° |
| C14 | C08 | C07 | C06 | 178.7° | 180.0° |
| C08 | C14 | C15 | H15 | 74.7° | 85.5° |
| C08 | C14 | C15 | H15A | 41.8° | 37.9° |
| C14 | C08 | C09 | H09 | 163.6° | 170.5° |
| C14 | C08 | C09 | H09A | 74.7° | 70.1° |
| C14 | C08 | C07 | H07 | 1.4° | 0.0° |
| C18 | C13 | C12 | C11 | 70.0° | 50.2° |
| C18 | C13 | C17 | H17 | 155.2° | 155.2° |
| C18 | C13 | C14 | H14 | 180.0° | 171.9° |
| C13 | C18 | H18 | H18A | 120.0° | 120.0° |
| C13 | C18 | H18 | H18B | 120.0° | 120.0° |
| C13 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C13 | C12 | H12 | 50.0° | 69.4° |
| C18 | C13 | C12 | H12A | 172.2° | 169.6° |
| C13 | C12 | C11 | H12 | 120.0° | 119.6° |
| C13 | C12 | C11 | H12A | 117.8° | 119.5° |
| C13 | C12 | C11 | C09 | 50.0° | 59.1° |
| C12 | C13 | C17 | H17 | 29.0° | 30.0° |
| C12 | C13 | C14 | H14 | 55.4° | 53.9° |
| C12 | C13 | C18 | H18 | 49.7° | 61.9° |
| C12 | C13 | C18 | H18A | 70.3° | 58.1° |
| C12 | C13 | C18 | H18B | 169.7° | 178.1° |
| C13 | C12 | H12 | H12A | 117.9° | 120.9° |
| C13 | C12 | C11 | H11 | 70.0° | 61.6° |
| C13 | C12 | C11 | H11A | 168.4° | 179.6° |
| C12 | C11 | C09 | H11 | 120.0° | 120.6° |
| C12 | C11 | C09 | H11A | 118.4° | 120.6° |
| C12 | C11 | C09 | C08 | 39.5° | 48.6° |
| C11 | C12 | H12 | H12A | 118.0° | 120.9° |
| C12 | C11 | H11 | H11A | 118.5° | 118.9° |
| C12 | C11 | C09 | H09 | 159.5° | 168.9° |
| C12 | C11 | C09 | H09A | 78.7° | 71.7° |
| C11 | C09 | C08 | H09 | 120.0° | 120.3° |
| C11 | C09 | C08 | H09A | 118.3° | 120.3° |
| C11 | C09 | C08 | C07 | 135.2° | 129.8° |
| C09 | C11 | C12 | H12 | 170.0° | 178.6° |
| C09 | C11 | C12 | H12A | 67.8° | 60.4° |
| C09 | C11 | H11 | H11A | 118.5° | 118.8° |
| C11 | C09 | H09 | H09A | 118.4° | 119.5° |
| C09 | C08 | C07 | C06 | 0.0° | 0.0° |
| C09 | C08 | C14 | H14 | 66.8° | 62.1° |
| C08 | C09 | C11 | H11 | 80.5° | 72.0° |
| C08 | C09 | C11 | H11A | 157.9° | 169.2° |
| C08 | C09 | H09 | H09A | 118.4° | 119.4° |
| C09 | C08 | C07 | H07 | 179.9° | 179.9° |
| C08 | C07 | C06 | H07 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 142.2° | 180.0° |
| C07 | C08 | C14 | H14 | 114.4° | 117.8° |
| C07 | C08 | C09 | H09 | 15.2° | 9.5° |
| C07 | C08 | C09 | H09A | 106.5° | 109.9° |
| C08 | C07 | C06 | H06 | 37.8° | 0.0° |
| C07 | C06 | C05 | H06 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 179.6° | 180.0° |
| C07 | C06 | C05 | C10 | 0.4° | 0.3° |
| C06 | C05 | C04 | C10 | 179.3° | 179.7° |
| C06 | C05 | C04 | C03 | 132.0° | 133.4° |
| C06 | C05 | C10 | C01 | 132.2° | 136.8° |
| C06 | C05 | C10 | C19 | 50.3° | 43.1° |
| C05 | C06 | C07 | H07 | 37.8° | 0.0° |
| C06 | C05 | C04 | H04 | 108.0° | 13.7° |
| C06 | C05 | C04 | H04A | 13.4° | 106.8° |
| C05 | C04 | C03 | H04 | 120.0° | 119.7° |
| C05 | C04 | C03 | H04A | 118.5° | 119.8° |
| C05 | C04 | C03 | O02 | 71.2° | 177.8° |
| C05 | C04 | C03 | C02 | 50.0° | 57.8° |
| C04 | C05 | C10 | C01 | 47.1° | 43.5° |
| C04 | C05 | C10 | C19 | 130.4° | 136.6° |
| C04 | C05 | C06 | H06 | 0.4° | 0.0° |
| C05 | C04 | H04 | H04A | 118.6° | 120.5° |
| C05 | C04 | C03 | H03 | 168.8° | 62.3° |
| C10 | C05 | C04 | C03 | 47.4° | 46.9° |
| C05 | C10 | C01 | C02 | 49.1° | 47.0° |
| C05 | C10 | C01 | O01 | 169.8° | 72.9° |
| C05 | C10 | C01 | C19 | 177.7° | 179.9° |
| C10 | C05 | C06 | H06 | 179.6° | 179.7° |
| C10 | C05 | C04 | H04 | 72.6° | 166.6° |
| C10 | C05 | C04 | H04A | 165.9° | 72.9° |
| C05 | C10 | C01 | H01 | 70.5° | 166.5° |
| C05 | C10 | C19 | H19 | 1.4° | 0.1° |
| C05 | C10 | C19 | H19A | 178.6° | 180.0° |
| C04 | C03 | O02 | C02 | 122.0° | 120.3° |
| C04 | C03 | O02 | H03 | 119.2° | 119.9° |
| C04 | C03 | C02 | H03 | 119.2° | 120.1° |
| C04 | C03 | C02 | C01 | 53.8° | 66.3° |
| C03 | C04 | H04 | H04A | 118.6° | 120.6° |
| C04 | C03 | O02 | HO02 | 178.2° | 60.1° |
| C04 | C03 | C02 | H02 | 66.2° | 173.7° |
| C04 | C03 | C02 | H02A | 172.6° | 53.8° |
| O02 | C03 | C02 | H03 | 120.1° | 119.9° |
| O02 | C03 | C02 | C01 | 67.0° | 173.7° |
| O02 | C03 | C04 | H04 | 168.8° | 62.5° |
| O02 | C03 | C04 | H04A | 47.4° | 58.0° |
| O02 | C03 | C02 | H02 | 173.0° | 53.6° |
| O02 | C03 | C02 | H02A | 51.9° | 66.2° |
| C03 | C02 | C01 | H02 | 120.0° | 120.0° |
| C03 | C02 | C01 | H02A | 118.8° | 120.2° |
| C03 | C02 | C01 | O01 | 173.3° | 62.0° |
| C03 | C02 | C01 | C10 | 51.5° | 57.9° |
| C02 | C03 | C04 | H04 | 70.0° | 177.5° |
| C02 | C03 | C04 | H04A | 168.5° | 62.0° |
| C02 | C03 | O02 | HO02 | 59.8° | 179.7° |
| C03 | C02 | H02 | H02A | 118.9° | 119.9° |
| C03 | C02 | C01 | H01 | 67.0° | 177.5° |
| C02 | C01 | O01 | C10 | 121.7° | 119.0° |
| C02 | C01 | O01 | H01 | 119.7° | 120.5° |
| C02 | C01 | C10 | H01 | 119.6° | 119.6° |
| C02 | C01 | C10 | C19 | 128.6° | 133.1° |
| C01 | C02 | C03 | H03 | 173.0° | 53.8° |
| C01 | C02 | H02 | H02A | 118.9° | 119.8° |
| C02 | C01 | O01 | HO01 | 11.6° | 180.0° |
| O01 | C01 | C10 | H01 | 119.7° | 120.6° |
| O01 | C01 | C10 | C19 | 7.9° | 107.0° |
| O01 | C01 | C02 | H02 | 53.3° | 58.0° |
| O01 | C01 | C02 | H02A | 67.9° | 177.8° |
| C10 | C01 | C02 | H02 | 68.5° | 178.0° |
| C10 | C01 | C02 | H02A | 170.4° | 62.2° |
| C10 | C01 | O01 | HO01 | 133.4° | 61.1° |
| C01 | C10 | C19 | H19 | 179.0° | 179.8° |
| C01 | C10 | C19 | H19A | 1.1° | 0.1° |
| C19 | C10 | C01 | H01 | 111.7° | 13.6° |
| C10 | C19 | H19 | H19A | 180.0° | 180.0° |
| H31 | C31 | H31A | H31B | 120.0° | 120.0° |
| H31 | C31 | C30 | H30 | 137.3° | 59.9° |
| H31 | C31 | C30 | H30A | 16.6° | 180.0° |
| H31A | C31 | C30 | H30 | 17.3° | 180.0° |
| H31A | C31 | C30 | H30A | 103.4° | 60.0° |
| H31B | C31 | C30 | H30 | 102.7° | 60.0° |
| H31B | C31 | C30 | H30A | 136.6° | 60.0° |
| H30 | C30 | C29 | H29 | 145.3° | 180.0° |
| H30 | C30 | C29 | H29A | 24.4° | 60.0° |
| H30A | C30 | C29 | H29 | 94.0° | 60.0° |
| H30A | C30 | C29 | H29A | 145.1° | 180.0° |
| H29 | C29 | C28 | H28 | 84.2° | 180.0° |
| H29 | C29 | C28 | H28A | 153.5° | 60.1° |
| H29A | C29 | C28 | H28 | 36.7° | 60.0° |
| H29A | C29 | C28 | H28A | 85.6° | 180.0° |
| H28 | C28 | C22 | H22 | 177.5° | 175.0° |
| H28A | C28 | C22 | H22 | 60.1° | 65.0° |
| H22 | C22 | C23 | H23 | 55.9° | 65.4° |
| H22 | C22 | C23 | H23A | 71.0° | 174.5° |
| H22 | C22 | C20 | H20 | 110.4° | 62.1° |
| H23 | C23 | C24 | H24 | 167.5° | 175.9° |
| H23 | C23 | C24 | H24A | 71.0° | 55.9° |
| H23A | C23 | C24 | H24 | 40.7° | 64.1° |
| H23A | C23 | C24 | H24A | 162.1° | 175.9° |
| H24 | C24 | O03 | HO03 | 172.3° | 60.0° |
| H24A | C24 | O03 | HO03 | 50.9° | 60.0° |
| H20 | C20 | C21 | H21 | 170.4° | 180.0° |
| H20 | C20 | C21 | H21A | 69.6° | 60.0° |
| H20 | C20 | C21 | H21B | 50.4° | 60.0° |
| H20 | C20 | C17 | H17 | 160.1° | 175.0° |
| H21 | C21 | H21A | H21B | 120.0° | 119.9° |
| H17 | C17 | C16 | H16 | 25.2° | 4.2° |
| H17 | C17 | C16 | H16A | 144.6° | 125.8° |
| H16 | C16 | C15 | H15 | 11.9° | 23.2° |
| H16 | C16 | C15 | H15A | 128.5° | 146.6° |
| H16A | C16 | C15 | H15 | 107.5° | 98.3° |
| H16A | C16 | C15 | H15A | 9.0° | 25.0° |
| H15 | C15 | C14 | H14 | 41.3° | 42.9° |
| H15A | C15 | C14 | H14 | 157.8° | 166.3° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H12 | C12 | C11 | H11 | 50.0° | 58.0° |
| H12 | C12 | C11 | H11A | 71.6° | 60.9° |
| H12A | C12 | C11 | H11 | 172.2° | 178.9° |
| H12A | C12 | C11 | H11A | 50.6° | 60.1° |
| H11 | C11 | C09 | H09 | 39.5° | 48.2° |
| H11 | C11 | C09 | H09A | 161.3° | 167.7° |
| H11A | C11 | C09 | H09 | 82.1° | 70.6° |
| H11A | C11 | C09 | H09A | 39.7° | 48.9° |
| H07 | C07 | C06 | H06 | 142.2° | 180.0° |
| H04 | C04 | C03 | H03 | 48.8° | 57.4° |
| H04A | C04 | C03 | H03 | 72.7° | 177.9° |
| H03 | C03 | O02 | HO02 | 58.9° | 59.8° |
| H03 | C03 | C02 | H02 | 53.0° | 66.2° |
| H03 | C03 | C02 | H02A | 68.2° | 173.9° |
| H02 | C02 | C01 | H01 | 173.0° | 62.5° |
| H02A | C02 | C01 | H01 | 51.8° | 57.3° |
| H01 | C01 | O01 | HO01 | 108.1° | 59.5° |
