Obsolete: KTB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C28 | sing | 1.43Å | 1.39Å | |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| C36 | O37 | sing | 1.43Å | 1.40Å | |
| C36 | C34 | sing | 1.53Å | 1.56Å | |
| C27 | N26 | sing | 1.35Å | 1.38Å | |
| C27 | O30 | doub | 1.21Å | 1.23Å | |
| N26 | C25 | sing | 1.47Å | 1.47Å | |
| O35 | C34 | sing | 1.43Å | 1.39Å | |
| C32 | C34 | sing | 1.53Å | 1.58Å | |
| C32 | C31 | sing | 1.53Å | 1.58Å | |
| C32 | O33 | sing | 1.43Å | 1.39Å | |
| C31 | C25 | sing | 1.53Å | 1.56Å | |
| C31 | O38 | sing | 1.43Å | 1.41Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | O24 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| O21 | C19 | doub | 1.21Å | 1.23Å | |
| O38 | C18 | sing | 1.43Å | 1.44Å | |
| C19 | O20 | sing | 1.34Å | 1.24Å | |
| C19 | C18 | sing | 1.51Å | 1.63Å | |
| O06 | C05 | sing | 1.43Å | 1.39Å | |
| C05 | C04 | sing | 1.53Å | 1.57Å | |
| C18 | C22 | sing | 1.53Å | 1.56Å | |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| O40 | C39 | sing | 1.43Å | 1.40Å | |
| O17 | C16 | sing | 1.43Å | 1.39Å | |
| O03 | C04 | sing | 1.43Å | 1.42Å | |
| O03 | C02 | sing | 1.43Å | 1.42Å | |
| C04 | C07 | sing | 1.53Å | 1.58Å | |
| C16 | C39 | sing | 1.53Å | 1.56Å | |
| C16 | C14 | sing | 1.53Å | 1.56Å | |
| C39 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | O08 | sing | 1.43Å | 1.42Å | |
| C09 | O10 | sing | 1.43Å | 1.40Å | |
| C07 | O08 | sing | 1.43Å | 1.41Å | |
| C07 | C41 | sing | 1.53Å | 1.55Å | |
| O01 | C02 | sing | 1.43Å | 1.39Å | |
| C14 | C11 | sing | 1.53Å | 1.57Å | |
| C14 | O15 | sing | 1.43Å | 1.39Å | |
| C02 | C43 | sing | 1.53Å | 1.55Å | |
| C11 | O10 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C43 | C41 | sing | 1.53Å | 1.54Å | |
| C43 | O44 | sing | 1.43Å | 1.39Å | |
| C41 | O42 | sing | 1.43Å | 1.39Å | |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.09Å | 1.10Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| O01 | H27 | sing | 0.97Å | 0.95Å | |
| O06 | H28 | sing | 0.97Å | 0.95Å | |
| O13 | H29 | sing | 0.97Å | 0.95Å | |
| O15 | H30 | sing | 0.97Å | 0.95Å | |
| O20 | H31 | sing | 0.97Å | 0.95Å | |
| O24 | H32 | sing | 0.97Å | 0.95Å | |
| O29 | H33 | sing | 0.97Å | 0.95Å | |
| O33 | H34 | sing | 0.97Å | 0.95Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| O37 | H36 | sing | 0.97Å | 0.95Å | |
| O40 | H37 | sing | 0.97Å | 0.95Å | |
| O42 | H38 | sing | 0.97Å | 0.95Å | |
| O44 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C28 | C27 | 105.0° | 109.5° |
| O29 | C28 | H16 | 110.6° | 109.5° |
| O29 | C28 | H17 | 110.6° | 109.5° |
| C28 | O29 | H33 | 109.5° | 114.0° |
| C28 | C27 | N26 | 120.0° | 120.0° |
| C28 | C27 | O30 | 118.0° | 120.0° |
| C27 | C28 | H16 | 110.6° | 109.5° |
| C27 | C28 | H17 | 110.6° | 109.5° |
| O37 | C36 | C34 | 107.1° | 109.5° |
| O37 | C36 | H21 | 110.1° | 109.5° |
| O37 | C36 | H22 | 110.1° | 109.5° |
| C36 | O37 | H36 | 109.5° | 114.0° |
| C36 | C34 | O35 | 106.7° | 109.5° |
| C36 | C34 | C32 | 112.9° | 109.5° |
| C36 | C34 | H20 | 109.4° | 109.4° |
| C34 | C36 | H21 | 110.0° | 109.5° |
| C34 | C36 | H22 | 110.1° | 109.4° |
| N26 | C27 | O30 | 122.0° | 120.0° |
| C27 | N26 | C25 | 122.9° | 120.0° |
| C27 | N26 | H26 | 118.6° | 120.0° |
| N26 | C25 | C31 | 113.2° | 109.6° |
| N26 | C25 | C23 | 113.1° | 109.5° |
| N26 | C25 | H15 | 108.6° | 109.5° |
| C25 | N26 | H26 | 118.6° | 120.0° |
| O35 | C34 | C32 | 106.8° | 109.5° |
| O35 | C34 | H20 | 111.9° | 109.5° |
| C34 | O35 | H35 | 109.5° | 114.0° |
| C34 | C32 | C31 | 114.0° | 109.5° |
| C34 | C32 | O33 | 108.0° | 109.4° |
| C34 | C32 | H19 | 107.7° | 109.5° |
| C32 | C34 | H20 | 109.2° | 109.5° |
| C31 | C32 | O33 | 109.3° | 109.5° |
| C32 | C31 | C25 | 110.4° | 109.5° |
| C32 | C31 | O38 | 107.9° | 109.5° |
| C32 | C31 | H18 | 109.2° | 109.4° |
| C31 | C32 | H19 | 107.7° | 109.5° |
| O33 | C32 | H19 | 110.2° | 109.4° |
| C32 | O33 | H34 | 109.5° | 114.0° |
| C25 | C31 | O38 | 108.0° | 109.4° |
| C31 | C25 | C23 | 106.4° | 109.2° |
| C31 | C25 | H15 | 107.5° | 109.5° |
| C25 | C31 | H18 | 109.5° | 109.4° |
| C31 | O38 | C18 | 116.3° | 114.1° |
| O38 | C31 | H18 | 111.8° | 109.5° |
| C25 | C23 | O24 | 107.2° | 109.5° |
| C25 | C23 | C22 | 111.3° | 109.0° |
| C25 | C23 | H14 | 109.7° | 109.6° |
| C23 | C25 | H15 | 107.8° | 109.5° |
| O24 | C23 | C22 | 107.5° | 109.5° |
| O24 | C23 | H14 | 111.7° | 109.6° |
| C23 | O24 | H32 | 109.5° | 114.0° |
| C23 | C22 | C18 | 110.7° | 109.1° |
| C23 | C22 | H12 | 109.2° | 109.5° |
| C23 | C22 | H13 | 109.2° | 109.6° |
| C22 | C23 | H14 | 109.5° | 109.6° |
| O21 | C19 | O20 | 128.4° | 120.0° |
| O21 | C19 | C18 | 116.2° | 120.0° |
| O38 | C18 | C19 | 113.9° | 109.5° |
| O38 | C18 | C22 | 110.9° | 109.4° |
| O38 | C18 | O17 | 106.1° | 109.5° |
| O20 | C19 | C18 | 115.4° | 120.0° |
| C19 | O20 | H31 | 109.5° | 117.0° |
| C19 | C18 | C22 | 108.2° | 109.5° |
| C19 | C18 | O17 | 101.0° | 109.5° |
| O06 | C05 | C04 | 111.8° | 109.5° |
| O06 | C05 | H3 | 108.9° | 109.5° |
| O06 | C05 | H4 | 108.9° | 109.5° |
| C05 | O06 | H28 | 109.5° | 114.0° |
| C05 | C04 | O03 | 107.4° | 109.5° |
| C05 | C04 | C07 | 115.9° | 109.5° |
| C05 | C04 | H2 | 107.3° | 109.5° |
| C04 | C05 | H3 | 108.9° | 109.4° |
| C04 | C05 | H4 | 108.9° | 109.5° |
| C22 | C18 | O17 | 116.6° | 109.5° |
| C18 | C22 | H12 | 109.1° | 109.5° |
| C18 | C22 | H13 | 109.2° | 109.5° |
| C18 | O17 | C16 | 123.0° | 114.0° |
| O40 | C39 | C16 | 106.9° | 109.5° |
| O40 | C39 | C09 | 106.3° | 109.5° |
| O40 | C39 | H23 | 111.7° | 109.5° |
| C39 | O40 | H37 | 109.5° | 114.0° |
| O17 | C16 | C39 | 113.3° | 109.6° |
| O17 | C16 | C14 | 111.2° | 109.5° |
| O17 | C16 | H11 | 109.5° | 109.6° |
| C04 | O03 | C02 | 116.4° | 114.1° |
| O03 | C04 | C07 | 109.6° | 109.4° |
| O03 | C04 | H2 | 109.2° | 109.5° |
| O03 | C02 | O01 | 106.0° | 109.4° |
| O03 | C02 | C43 | 108.1° | 109.4° |
| O03 | C02 | H1 | 112.9° | 109.5° |
| C04 | C07 | O08 | 111.1° | 109.5° |
| C04 | C07 | C41 | 109.5° | 109.2° |
| C07 | C04 | H2 | 107.3° | 109.5° |
| C04 | C07 | H5 | 108.4° | 109.5° |
| C39 | C16 | C14 | 107.9° | 109.1° |
| C16 | C39 | C09 | 113.1° | 109.2° |
| C39 | C16 | H11 | 107.4° | 109.5° |
| C16 | C39 | H23 | 109.4° | 109.5° |
| C16 | C14 | C11 | 112.7° | 109.1° |
| C16 | C14 | O15 | 106.9° | 109.5° |
| C16 | C14 | H10 | 107.9° | 109.6° |
| C14 | C16 | H11 | 107.3° | 109.6° |
| C39 | C09 | O08 | 111.2° | 109.5° |
| C39 | C09 | O10 | 109.9° | 109.4° |
| C39 | C09 | H6 | 106.6° | 109.5° |
| C09 | C39 | H23 | 109.4° | 109.5° |
| O08 | C09 | O10 | 112.1° | 109.5° |
| C09 | O08 | C07 | 115.4° | 114.0° |
| O08 | C09 | H6 | 108.3° | 109.4° |
| C09 | O10 | C11 | 118.2° | 114.1° |
| O10 | C09 | H6 | 108.5° | 109.5° |
| O08 | C07 | C41 | 108.5° | 109.6° |
| O08 | C07 | H5 | 110.6° | 109.5° |
| C07 | C41 | C43 | 110.6° | 109.1° |
| C07 | C41 | O42 | 105.4° | 109.5° |
| C41 | C07 | H5 | 108.8° | 109.6° |
| C07 | C41 | H24 | 109.7° | 109.5° |
| O01 | C02 | C43 | 105.3° | 109.5° |
| O01 | C02 | H1 | 113.4° | 109.5° |
| C02 | O01 | H27 | 109.5° | 114.0° |
| C11 | C14 | O15 | 111.1° | 109.5° |
| C14 | C11 | O10 | 112.9° | 109.4° |
| C14 | C11 | C12 | 111.8° | 109.5° |
| C14 | C11 | H7 | 105.8° | 109.5° |
| C11 | C14 | H10 | 107.9° | 109.5° |
| O15 | C14 | H10 | 110.3° | 109.5° |
| C14 | O15 | H30 | 109.5° | 114.0° |
| C02 | C43 | C41 | 107.9° | 109.1° |
| C02 | C43 | O44 | 110.2° | 109.6° |
| C43 | C02 | H1 | 110.8° | 109.5° |
| C02 | C43 | H25 | 109.9° | 109.5° |
| O10 | C11 | C12 | 112.0° | 109.5° |
| O10 | C11 | H7 | 107.7° | 109.5° |
| C11 | C12 | O13 | 110.4° | 109.5° |
| C12 | C11 | H7 | 106.1° | 109.5° |
| C11 | C12 | H8 | 109.2° | 109.5° |
| C11 | C12 | H9 | 109.2° | 109.5° |
| C41 | C43 | O44 | 106.1° | 109.5° |
| C43 | C41 | O42 | 109.2° | 109.6° |
| C43 | C41 | H24 | 109.9° | 109.6° |
| C41 | C43 | H25 | 110.2° | 109.5° |
| O44 | C43 | H25 | 112.3° | 109.6° |
| C43 | O44 | H39 | 109.5° | 114.0° |
| O42 | C41 | H24 | 112.1° | 109.6° |
| C41 | O42 | H38 | 109.5° | 113.9° |
| O13 | C12 | H8 | 109.2° | 109.5° |
| O13 | C12 | H9 | 109.3° | 109.5° |
| C12 | O13 | H29 | 109.5° | 114.0° |
| H3 | C05 | H4 | 109.4° | 109.5° |
| H8 | C12 | H9 | 109.4° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H21 | C36 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C28 | C27 | H16 | 119.3° | 120.0° |
| O29 | C28 | C27 | H17 | 119.3° | 120.0° |
| O29 | C28 | C27 | N26 | 18.9° | 180.0° |
| O29 | C28 | C27 | O30 | 161.0° | 0.0° |
| O29 | C28 | H16 | H17 | 122.1° | 120.0° |
| C28 | C27 | N26 | O30 | 179.9° | 180.0° |
| C28 | C27 | N26 | C25 | 179.8° | 180.0° |
| C27 | C28 | H16 | H17 | 122.0° | 120.0° |
| C28 | C27 | N26 | H26 | 0.3° | 0.0° |
| C27 | C28 | O29 | H33 | 180.0° | 180.0° |
| O37 | C36 | C34 | H21 | 119.6° | 120.0° |
| O37 | C36 | C34 | H22 | 119.6° | 120.0° |
| O37 | C36 | C34 | O35 | 64.1° | 65.0° |
| O37 | C36 | C34 | C32 | 178.9° | 175.0° |
| O37 | C36 | C34 | H20 | 57.1° | 55.1° |
| O37 | C36 | H21 | H22 | 121.1° | 120.0° |
| C36 | C34 | O35 | C32 | 121.0° | 120.0° |
| C36 | C34 | O35 | H20 | 119.6° | 120.0° |
| C36 | C34 | C32 | H20 | 121.9° | 120.0° |
| C36 | C34 | C32 | C31 | 150.8° | 177.8° |
| C36 | C34 | C32 | O33 | 87.5° | 62.2° |
| C36 | C34 | C32 | H19 | 31.4° | 57.8° |
| C34 | C36 | H21 | H22 | 121.1° | 119.9° |
| C36 | C34 | O35 | H35 | 180.0° | 60.0° |
| C34 | C36 | O37 | H36 | 180.0° | 180.0° |
| C27 | N26 | C25 | H26 | 180.0° | 180.0° |
| C27 | N26 | C25 | C31 | 129.3° | 155.3° |
| C27 | N26 | C25 | C23 | 109.6° | 85.0° |
| C27 | N26 | C25 | H15 | 10.0° | 35.1° |
| N26 | C27 | C28 | H16 | 138.2° | 60.0° |
| N26 | C27 | C28 | H17 | 100.4° | 60.0° |
| O30 | C27 | N26 | C25 | 0.1° | 0.0° |
| O30 | C27 | C28 | H16 | 41.7° | 120.0° |
| O30 | C27 | C28 | H17 | 79.7° | 120.0° |
| O30 | C27 | N26 | H26 | 179.8° | 180.0° |
| N26 | C25 | C31 | C32 | 54.4° | 62.4° |
| N26 | C25 | C31 | C23 | 124.9° | 120.0° |
| N26 | C25 | C31 | H15 | 119.9° | 120.1° |
| N26 | C25 | C31 | O38 | 172.2° | 177.5° |
| N26 | C25 | C23 | H15 | 120.1° | 120.1° |
| N26 | C25 | C23 | O24 | 59.5° | 63.2° |
| N26 | C25 | C23 | C22 | 176.8° | 177.0° |
| N26 | C25 | C23 | H14 | 61.9° | 57.0° |
| N26 | C25 | C31 | H18 | 65.9° | 57.6° |
| O35 | C34 | C32 | H20 | 121.1° | 120.0° |
| O35 | C34 | C32 | C31 | 33.8° | 57.8° |
| O35 | C34 | C32 | O33 | 155.5° | 177.8° |
| O35 | C34 | C32 | H19 | 85.6° | 62.2° |
| O35 | C34 | C36 | H21 | 55.5° | 175.0° |
| O35 | C34 | C36 | H22 | 176.2° | 55.0° |
| C34 | C32 | C31 | O33 | 121.0° | 120.0° |
| C34 | C32 | C31 | H19 | 119.4° | 120.0° |
| C34 | C32 | O33 | H19 | 117.3° | 120.0° |
| C34 | C32 | C31 | C25 | 176.3° | 177.1° |
| C34 | C32 | C31 | O38 | 58.5° | 57.1° |
| C34 | C32 | C31 | H18 | 63.2° | 62.9° |
| C32 | C34 | C36 | H21 | 61.5° | 55.0° |
| C32 | C34 | C36 | H22 | 59.2° | 65.0° |
| C34 | C32 | O33 | H34 | 180.0° | 60.0° |
| C32 | C34 | O35 | H35 | 59.0° | 60.0° |
| C31 | C32 | O33 | H19 | 118.1° | 120.0° |
| C32 | C31 | C25 | O38 | 117.8° | 120.1° |
| C32 | C31 | C25 | H18 | 120.3° | 120.0° |
| C32 | C31 | O38 | H18 | 120.1° | 120.0° |
| C32 | C31 | C25 | C23 | 179.3° | 177.6° |
| C32 | C31 | O38 | C18 | 175.9° | 178.8° |
| C32 | C31 | C25 | H15 | 65.5° | 57.7° |
| C31 | C32 | C34 | H20 | 87.3° | 62.2° |
| C31 | C32 | O33 | H34 | 55.4° | 60.0° |
| O33 | C32 | C31 | C25 | 55.4° | 57.1° |
| O33 | C32 | C31 | O38 | 62.5° | 62.9° |
| O33 | C32 | C31 | H18 | 175.8° | 177.1° |
| O33 | C32 | C34 | H20 | 34.4° | 57.8° |
| C25 | C31 | O38 | H18 | 120.5° | 120.0° |
| C31 | C25 | C23 | H15 | 115.0° | 119.9° |
| C31 | C25 | C23 | O24 | 175.6° | 176.8° |
| C31 | C25 | C23 | C22 | 58.3° | 57.0° |
| C25 | C31 | O38 | C18 | 64.8° | 61.1° |
| C31 | C25 | C23 | H14 | 63.0° | 63.0° |
| C25 | C31 | C32 | H19 | 64.3° | 62.9° |
| C31 | C25 | N26 | H26 | 50.7° | 24.7° |
| O38 | C31 | C25 | C23 | 63.0° | 57.6° |
| C31 | O38 | C18 | C19 | 66.2° | 58.8° |
| C31 | O38 | C18 | C22 | 56.1° | 61.1° |
| C31 | O38 | C18 | O17 | 176.4° | 178.9° |
| O38 | C31 | C25 | H15 | 52.2° | 62.4° |
| O38 | C31 | C32 | H19 | 177.8° | 177.1° |
| C25 | C23 | O24 | C22 | 119.8° | 119.5° |
| C25 | C23 | O24 | H14 | 120.1° | 120.3° |
| C25 | C23 | C22 | H14 | 121.4° | 120.0° |
| C25 | C23 | C22 | C18 | 51.1° | 57.0° |
| C25 | C23 | C22 | H12 | 171.2° | 62.9° |
| C25 | C23 | C22 | H13 | 69.1° | 176.9° |
| C23 | C25 | C31 | H18 | 59.0° | 62.4° |
| C23 | C25 | N26 | H26 | 70.4° | 95.0° |
| C25 | C23 | O24 | H32 | 180.0° | 179.6° |
| O24 | C23 | C22 | H14 | 121.5° | 120.2° |
| O24 | C23 | C22 | C18 | 168.1° | 176.8° |
| O24 | C23 | C22 | H12 | 71.7° | 56.9° |
| O24 | C23 | C22 | H13 | 47.9° | 63.3° |
| O24 | C23 | C25 | H15 | 60.5° | 56.9° |
| C23 | C22 | C18 | O38 | 46.4° | 57.6° |
| C23 | C22 | C18 | C19 | 79.2° | 62.4° |
| C23 | C22 | C18 | H12 | 120.2° | 119.9° |
| C23 | C22 | C18 | H13 | 120.2° | 120.0° |
| C23 | C22 | C18 | O17 | 167.9° | 177.6° |
| C23 | C22 | H12 | H13 | 119.4° | 120.2° |
| C22 | C23 | C25 | H15 | 56.7° | 62.9° |
| C22 | C23 | O24 | H32 | 60.2° | 60.0° |
| O21 | C19 | C18 | O38 | 19.9° | 115.0° |
| O21 | C19 | O20 | C18 | 179.9° | 179.9° |
| O21 | C19 | C18 | C22 | 143.7° | 125.0° |
| O21 | C19 | C18 | O17 | 93.3° | 5.0° |
| O21 | C19 | O20 | H31 | 0.0° | 0.1° |
| O38 | C18 | C19 | O20 | 160.1° | 64.9° |
| O38 | C18 | C19 | C22 | 123.8° | 119.9° |
| O38 | C18 | C19 | O17 | 113.3° | 120.1° |
| O38 | C18 | C22 | O17 | 121.5° | 120.0° |
| O38 | C18 | O17 | C16 | 49.6° | 54.4° |
| O38 | C18 | C22 | H12 | 166.6° | 62.3° |
| O38 | C18 | C22 | H13 | 73.8° | 177.6° |
| C18 | O38 | C31 | H18 | 55.7° | 58.8° |
| O20 | C19 | C18 | C22 | 36.3° | 55.0° |
| O20 | C19 | C18 | O17 | 86.6° | 175.1° |
| C19 | C18 | C22 | O17 | 112.9° | 120.0° |
| C19 | C18 | O17 | C16 | 69.5° | 174.5° |
| C19 | C18 | C22 | H12 | 41.1° | 177.7° |
| C19 | C18 | C22 | H13 | 160.7° | 57.6° |
| C18 | C19 | O20 | H31 | 179.9° | 180.0° |
| O06 | C05 | C04 | H3 | 120.4° | 119.9° |
| O06 | C05 | C04 | H4 | 120.4° | 120.1° |
| O06 | C05 | C04 | O03 | 116.4° | 65.1° |
| O06 | C05 | C04 | C07 | 6.6° | 175.0° |
| O06 | C05 | C04 | H2 | 126.3° | 54.9° |
| O06 | C05 | H3 | H4 | 118.9° | 120.1° |
| C05 | C04 | O03 | C07 | 126.7° | 120.0° |
| C05 | C04 | O03 | H2 | 116.0° | 120.0° |
| C05 | C04 | O03 | C02 | 174.2° | 178.8° |
| C05 | C04 | C07 | H2 | 119.8° | 120.1° |
| C05 | C04 | C07 | O08 | 67.2° | 62.5° |
| C05 | C04 | C07 | C41 | 173.0° | 177.6° |
| C04 | C05 | H3 | H4 | 118.9° | 120.0° |
| C05 | C04 | C07 | H5 | 54.5° | 57.5° |
| C04 | C05 | O06 | H28 | 180.0° | 180.0° |
| C22 | C18 | O17 | C16 | 173.5° | 65.5° |
| C18 | C22 | H12 | H13 | 119.4° | 120.1° |
| C18 | C22 | C23 | H14 | 70.4° | 63.0° |
| C18 | O17 | C16 | C39 | 102.8° | 143.4° |
| C18 | O17 | C16 | C14 | 135.5° | 97.1° |
| C18 | O17 | C16 | H11 | 17.1° | 23.2° |
| O17 | C18 | C22 | H12 | 71.9° | 57.7° |
| O17 | C18 | C22 | H13 | 47.7° | 62.4° |
| O40 | C39 | C16 | O17 | 68.0° | 63.2° |
| O40 | C39 | C16 | C09 | 116.6° | 119.9° |
| O40 | C39 | C16 | H23 | 121.1° | 120.2° |
| O40 | C39 | C16 | C14 | 168.4° | 176.9° |
| O40 | C39 | C09 | H23 | 120.7° | 120.1° |
| O40 | C39 | C09 | O08 | 62.9° | 62.5° |
| O40 | C39 | C09 | O10 | 172.4° | 177.5° |
| O40 | C39 | C09 | H6 | 55.0° | 57.6° |
| O40 | C39 | C16 | H11 | 53.1° | 57.0° |
| O17 | C16 | C39 | C14 | 123.6° | 119.9° |
| O17 | C16 | C39 | H11 | 121.0° | 120.2° |
| O17 | C16 | C14 | H11 | 119.7° | 120.3° |
| O17 | C16 | C39 | C09 | 175.4° | 176.9° |
| O17 | C16 | C14 | C11 | 171.8° | 176.9° |
| O17 | C16 | C14 | O15 | 49.5° | 57.0° |
| O17 | C16 | C14 | H10 | 69.2° | 63.2° |
| O17 | C16 | C39 | H23 | 53.1° | 56.9° |
| O03 | C04 | C07 | H2 | 118.5° | 119.9° |
| O03 | C04 | C07 | O08 | 171.0° | 177.5° |
| O03 | C04 | C07 | C41 | 51.3° | 57.6° |
| C04 | O03 | C02 | O01 | 176.2° | 178.8° |
| C04 | O03 | C02 | C43 | 63.8° | 61.2° |
| C04 | O03 | C02 | H1 | 59.1° | 58.8° |
| O03 | C04 | C05 | H3 | 123.3° | 174.9° |
| O03 | C04 | C05 | H4 | 4.0° | 55.0° |
| O03 | C04 | C07 | H5 | 67.2° | 62.4° |
| C02 | O03 | C04 | C07 | 59.1° | 61.2° |
| O03 | C02 | O01 | C43 | 114.4° | 119.9° |
| O03 | C02 | O01 | H1 | 124.3° | 120.0° |
| O03 | C02 | C43 | H1 | 124.1° | 120.0° |
| O03 | C02 | C43 | C41 | 60.2° | 57.6° |
| O03 | C02 | C43 | O44 | 175.6° | 177.6° |
| C02 | O03 | C04 | H2 | 58.1° | 58.8° |
| O03 | C02 | C43 | H25 | 60.0° | 62.2° |
| O03 | C02 | O01 | H27 | 180.0° | 60.0° |
| C04 | C07 | O08 | C09 | 127.6° | 150.0° |
| C04 | C07 | O08 | C41 | 120.3° | 119.7° |
| C04 | C07 | O08 | H5 | 120.4° | 120.0° |
| C04 | C07 | C41 | H5 | 118.3° | 119.9° |
| C04 | C07 | C41 | C43 | 53.7° | 57.0° |
| C04 | C07 | C41 | O42 | 171.5° | 176.9° |
| C07 | C04 | C05 | H3 | 113.8° | 55.0° |
| C07 | C04 | C05 | H4 | 126.9° | 64.9° |
| C04 | C07 | C41 | H24 | 67.6° | 63.0° |
| C39 | C16 | C14 | H11 | 115.4° | 119.9° |
| C16 | C39 | C09 | H23 | 122.3° | 119.9° |
| C16 | C39 | C09 | O08 | 179.9° | 177.6° |
| C16 | C39 | C09 | O10 | 55.4° | 57.6° |
| C39 | C16 | C14 | C11 | 46.9° | 57.0° |
| C39 | C16 | C14 | O15 | 75.4° | 62.9° |
| C16 | C39 | C09 | H6 | 62.0° | 62.4° |
| C39 | C16 | C14 | H10 | 166.0° | 176.9° |
| C16 | C39 | O40 | H37 | 180.0° | 180.0° |
| C14 | C16 | C39 | C09 | 51.8° | 57.0° |
| C16 | C14 | C11 | O15 | 120.0° | 119.9° |
| C16 | C14 | C11 | H10 | 119.1° | 120.0° |
| C16 | C14 | O15 | H10 | 117.1° | 120.2° |
| C16 | C14 | C11 | O10 | 47.1° | 57.6° |
| C16 | C14 | C11 | C12 | 174.6° | 177.6° |
| C16 | C14 | C11 | H7 | 70.4° | 62.3° |
| C14 | C16 | C39 | H23 | 70.5° | 62.9° |
| C16 | C14 | O15 | H30 | 180.0° | 179.6° |
| C39 | C09 | O08 | O10 | 123.4° | 120.0° |
| C39 | C09 | O08 | H6 | 116.8° | 120.1° |
| C39 | C09 | O10 | H6 | 116.2° | 120.0° |
| C39 | C09 | O08 | C07 | 156.3° | 175.1° |
| C39 | C09 | O10 | C11 | 56.2° | 61.1° |
| C09 | C39 | C16 | H11 | 63.6° | 62.9° |
| C09 | C39 | O40 | H37 | 58.9° | 60.3° |
| O08 | C09 | O10 | H6 | 119.6° | 120.0° |
| C09 | O08 | C07 | C41 | 112.0° | 90.3° |
| O08 | C09 | O10 | C11 | 179.7° | 178.8° |
| C09 | O08 | C07 | H5 | 7.2° | 30.0° |
| O08 | C09 | C39 | H23 | 57.9° | 57.7° |
| O10 | C09 | O08 | C07 | 80.3° | 64.9° |
| C09 | O10 | C11 | C14 | 52.9° | 61.2° |
| C09 | O10 | C11 | C12 | 179.8° | 178.9° |
| C09 | O10 | C11 | H7 | 63.5° | 58.8° |
| O10 | C09 | C39 | H23 | 66.8° | 62.3° |
| O08 | C07 | C41 | H5 | 120.4° | 120.2° |
| O08 | C07 | C41 | C43 | 175.0° | 176.9° |
| O08 | C07 | C41 | O42 | 67.1° | 63.2° |
| O08 | C07 | C04 | H2 | 52.5° | 57.6° |
| C07 | O08 | C09 | H6 | 39.5° | 55.0° |
| O08 | C07 | C41 | H24 | 53.7° | 56.9° |
| C07 | C41 | C43 | C02 | 58.1° | 57.0° |
| C07 | C41 | C43 | O42 | 115.5° | 119.9° |
| C07 | C41 | C43 | H24 | 121.2° | 119.9° |
| C07 | C41 | C43 | O44 | 176.2° | 176.9° |
| C07 | C41 | O42 | H24 | 119.2° | 120.2° |
| C41 | C07 | C04 | H2 | 67.2° | 62.3° |
| C07 | C41 | C43 | H25 | 61.9° | 62.9° |
| C07 | C41 | O42 | H38 | 180.0° | 180.0° |
| O01 | C02 | C43 | H1 | 122.9° | 120.1° |
| O01 | C02 | C43 | C41 | 173.1° | 177.6° |
| O01 | C02 | C43 | O44 | 71.4° | 62.5° |
| O01 | C02 | C43 | H25 | 52.9° | 57.7° |
| C11 | C14 | O15 | H10 | 119.5° | 120.1° |
| C14 | C11 | O10 | C12 | 127.3° | 119.9° |
| C14 | C11 | O10 | H7 | 116.5° | 120.0° |
| C14 | C11 | C12 | H7 | 114.9° | 120.1° |
| C14 | C11 | C12 | O13 | 52.4° | 175.1° |
| C14 | C11 | C12 | H8 | 67.7° | 55.1° |
| C14 | C11 | C12 | H9 | 172.6° | 64.9° |
| C11 | C14 | C16 | H11 | 68.5° | 62.9° |
| C11 | C14 | O15 | H30 | 56.6° | 59.9° |
| O15 | C14 | C11 | O10 | 72.9° | 62.3° |
| O15 | C14 | C11 | C12 | 54.5° | 57.6° |
| O15 | C14 | C11 | H7 | 169.6° | 177.7° |
| O15 | C14 | C16 | H11 | 169.2° | 177.2° |
| C02 | C43 | C41 | O44 | 118.1° | 119.9° |
| C02 | C43 | C41 | H25 | 120.0° | 119.9° |
| C02 | C43 | O44 | H25 | 122.9° | 120.2° |
| C02 | C43 | C41 | O42 | 173.6° | 176.8° |
| C02 | C43 | C41 | H24 | 63.1° | 62.9° |
| C43 | C02 | O01 | H27 | 65.6° | 180.0° |
| C02 | C43 | O44 | H39 | 180.0° | 60.0° |
| O10 | C11 | C12 | H7 | 117.2° | 120.0° |
| O10 | C11 | C12 | O13 | 179.7° | 65.0° |
| C11 | O10 | C09 | H6 | 60.1° | 58.9° |
| O10 | C11 | C12 | H8 | 60.2° | 175.0° |
| O10 | C11 | C12 | H9 | 59.5° | 55.0° |
| O10 | C11 | C14 | H10 | 166.2° | 177.6° |
| C11 | C12 | O13 | H8 | 120.1° | 120.0° |
| C11 | C12 | O13 | H9 | 120.2° | 120.0° |
| C11 | C12 | H8 | H9 | 119.6° | 120.0° |
| C12 | C11 | C14 | H10 | 66.4° | 62.5° |
| C11 | C12 | O13 | H29 | 180.0° | 180.0° |
| C41 | C43 | O44 | H25 | 120.5° | 120.2° |
| C43 | C41 | O42 | H24 | 122.0° | 120.3° |
| C41 | C43 | C02 | H1 | 64.0° | 62.4° |
| C43 | C41 | C07 | H5 | 64.6° | 63.0° |
| C43 | C41 | O42 | H38 | 61.2° | 60.4° |
| C41 | C43 | O44 | H39 | 63.4° | 179.7° |
| O44 | C43 | C41 | O42 | 68.3° | 63.2° |
| O44 | C43 | C02 | H1 | 51.5° | 57.5° |
| O44 | C43 | C41 | H24 | 55.0° | 57.0° |
| O42 | C41 | C07 | H5 | 53.3° | 56.9° |
| O42 | C41 | C43 | H25 | 53.5° | 57.0° |
| O13 | C12 | C11 | H7 | 62.5° | 55.0° |
| O13 | C12 | H8 | H9 | 119.6° | 120.0° |
| H1 | C02 | C43 | H25 | 175.8° | 177.8° |
| H1 | C02 | O01 | H27 | 55.7° | 60.0° |
| H2 | C04 | C05 | H3 | 6.0° | 65.1° |
| H2 | C04 | C05 | H4 | 113.3° | 175.0° |
| H2 | C04 | C07 | H5 | 174.3° | 177.6° |
| H3 | C05 | O06 | H28 | 59.7° | 60.1° |
| H4 | C05 | O06 | H28 | 59.6° | 59.9° |
| H5 | C07 | C41 | H24 | 174.1° | 177.1° |
| H6 | C09 | C39 | H23 | 175.7° | 177.7° |
| H7 | C11 | C12 | H8 | 177.4° | 65.0° |
| H7 | C11 | C12 | H9 | 57.7° | 175.0° |
| H7 | C11 | C14 | H10 | 48.6° | 57.6° |
| H8 | C12 | O13 | H29 | 59.8° | 60.0° |
| H9 | C12 | O13 | H29 | 59.9° | 60.0° |
| H10 | C14 | C16 | H11 | 50.6° | 57.0° |
| H10 | C14 | O15 | H30 | 62.9° | 60.2° |
| H11 | C16 | C39 | H23 | 174.1° | 177.2° |
| H12 | C22 | C23 | H14 | 49.8° | 177.1° |
| H13 | C22 | C23 | H14 | 169.4° | 56.9° |
| H14 | C23 | C25 | H15 | 178.0° | 177.1° |
| H14 | C23 | O24 | H32 | 59.9° | 60.1° |
| H15 | C25 | C31 | H18 | 174.2° | 177.7° |
| H15 | C25 | N26 | H26 | 170.0° | 144.9° |
| H16 | C28 | O29 | H33 | 60.7° | 60.0° |
| H17 | C28 | O29 | H33 | 60.7° | 60.0° |
| H18 | C31 | C32 | H19 | 56.1° | 57.1° |
| H19 | C32 | C34 | H20 | 153.3° | 177.7° |
| H19 | C32 | O33 | H34 | 62.7° | 179.9° |
| H20 | C34 | C36 | H21 | 176.7° | 65.0° |
| H20 | C34 | C36 | H22 | 62.5° | 175.1° |
| H20 | C34 | O35 | H35 | 60.4° | 180.0° |
| H21 | C36 | O37 | H36 | 60.4° | 60.0° |
| H22 | C36 | O37 | H36 | 60.3° | 60.1° |
| H23 | C39 | O40 | H37 | 60.4° | 59.8° |
| H24 | C41 | C43 | H25 | 176.9° | 177.2° |
| H24 | C41 | O42 | H38 | 60.8° | 59.8° |
| H25 | C43 | O44 | H39 | 57.1° | 60.1° |
