UT3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C36 | sing | 1.52Å | 1.52Å | |
| O42 | C33 | doub | 1.19Å | 1.19Å | |
| C36 | C38 | doub | 1.31Å | 1.31Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.54Å | 1.54Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| C33 | C31 | sing | 1.54Å | 1.54Å | |
| C34 | C35 | sing | 1.54Å | 1.54Å | |
| C22 | C15 | sing | 1.53Å | 1.53Å | |
| C35 | O41 | doub | 1.20Å | 1.20Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C20 | sing | 1.56Å | 1.56Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C29 | sing | 1.54Å | 1.54Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C15 | C13 | sing | 1.51Å | 1.51Å | |
| C18 | C20 | sing | 1.55Å | 1.55Å | |
| C18 | C16 | sing | 1.55Å | 1.55Å | |
| C20 | O21 | sing | 1.41Å | 1.41Å | |
| C16 | O17 | sing | 1.41Å | 1.41Å | |
| C13 | O14 | sing | 1.40Å | 1.40Å | |
| C13 | C11 | sing | 1.51Å | 1.51Å | |
| C29 | O30 | sing | 1.41Å | 1.41Å | |
| C29 | C28 | sing | 1.54Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O27 | C26 | sing | 1.41Å | 1.41Å | |
| C11 | C09 | sing | 1.52Å | 1.52Å | |
| C28 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| C28 | C43 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | O10 | sing | 1.40Å | 1.40Å | |
| C09 | C08 | sing | 1.52Å | 1.52Å | |
| C43 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.20Å | 1.20Å | |
| C25 | N24 | sing | 1.45Å | 1.45Å | |
| C25 | C46 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | N24 | sing | 1.45Å | 1.45Å | |
| C02 | C03 | sing | 1.52Å | 1.52Å | |
| C08 | C07 | sing | 1.52Å | 1.52Å | |
| C08 | C23 | sing | 1.52Å | 1.52Å | |
| C44 | C46 | sing | 1.39Å | 1.39Å | Aromatic |
| C44 | O45 | sing | 1.41Å | 1.41Å | |
| C06 | C07 | doub | 1.31Å | 1.31Å | |
| C06 | C05 | sing | 1.52Å | 1.52Å | |
| C03 | C05 | doub | 1.31Å | 1.31Å | |
| C03 | C04 | sing | 1.52Å | 1.52Å | |
| C04 | H1 | sing | 1.10Å | 1.10Å | |
| C04 | H2 | sing | 1.10Å | 1.10Å | |
| C04 | H3 | sing | 1.10Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.10Å | 1.10Å | |
| C09 | H8 | sing | 1.10Å | 1.10Å | |
| C11 | H9 | sing | 1.10Å | 1.10Å | |
| C12 | H10 | sing | 1.10Å | 1.10Å | |
| C12 | H11 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C15 | H14 | sing | 1.10Å | 1.10Å | |
| C16 | H15 | sing | 1.10Å | 1.10Å | |
| C18 | H16 | sing | 1.10Å | 1.10Å | |
| C19 | H17 | sing | 1.10Å | 1.10Å | |
| C19 | H18 | sing | 1.10Å | 1.10Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| C20 | H20 | sing | 1.10Å | 1.10Å | |
| C22 | H21 | sing | 1.10Å | 1.10Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C22 | H23 | sing | 1.10Å | 1.10Å | |
| C23 | H24 | sing | 1.10Å | 1.10Å | |
| C23 | H25 | sing | 1.10Å | 1.10Å | |
| C23 | H26 | sing | 1.10Å | 1.10Å | |
| C29 | H27 | sing | 1.10Å | 1.10Å | |
| C31 | H28 | sing | 1.10Å | 1.10Å | |
| C32 | H29 | sing | 1.10Å | 1.10Å | |
| C32 | H30 | sing | 1.10Å | 1.10Å | |
| C32 | H31 | sing | 1.10Å | 1.10Å | |
| C34 | H32 | sing | 1.10Å | 1.10Å | |
| C34 | H33 | sing | 1.10Å | 1.10Å | |
| C37 | H34 | sing | 1.10Å | 1.10Å | |
| C37 | H35 | sing | 1.10Å | 1.10Å | |
| C37 | H36 | sing | 1.10Å | 1.10Å | |
| C38 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H38 | sing | 1.10Å | 1.10Å | |
| C40 | H39 | sing | 1.10Å | 1.10Å | |
| C40 | H40 | sing | 1.10Å | 1.10Å | |
| C40 | H41 | sing | 1.10Å | 1.10Å | |
| C43 | H42 | sing | 1.08Å | 1.08Å | |
| C46 | H43 | sing | 1.08Å | 1.08Å | |
| N24 | H44 | sing | 1.00Å | 1.00Å | |
| O10 | H45 | sing | 0.95Å | 0.95Å | |
| O14 | H46 | sing | 0.95Å | 0.95Å | |
| O17 | H47 | sing | 0.95Å | 0.95Å | |
| O21 | H48 | sing | 0.95Å | 0.95Å | |
| O27 | H49 | sing | 0.95Å | 0.95Å | |
| O30 | H50 | sing | 0.95Å | 0.95Å | |
| O45 | H51 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C38 | 116.9° | 116.9° |
| C37 | C36 | C35 | 119.5° | 119.5° |
| C36 | C37 | H34 | 109.5° | 109.5° |
| C36 | C37 | H35 | 109.5° | 109.5° |
| C36 | C37 | H36 | 109.5° | 109.5° |
| O42 | C33 | C34 | 119.3° | 119.3° |
| O42 | C33 | C31 | 120.6° | 120.6° |
| C38 | C36 | C35 | 123.6° | 123.6° |
| C36 | C38 | C39 | 123.9° | 123.9° |
| C36 | C38 | H37 | 118.1° | 118.1° |
| C36 | C35 | C34 | 117.9° | 117.9° |
| C36 | C35 | O41 | 123.0° | 123.0° |
| C38 | C39 | C40 | 108.5° | 108.5° |
| C38 | C39 | C20 | 110.7° | 110.7° |
| C39 | C38 | H37 | 118.0° | 118.0° |
| C38 | C39 | H38 | 106.5° | 106.5° |
| C19 | C18 | C20 | 115.7° | 115.7° |
| C19 | C18 | C16 | 115.5° | 115.5° |
| C19 | C18 | H16 | 104.2° | 104.2° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | C19 | H18 | 109.4° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C34 | C33 | C31 | 120.1° | 120.1° |
| C33 | C34 | C35 | 116.8° | 116.8° |
| C33 | C34 | H32 | 107.6° | 107.6° |
| C33 | C34 | H33 | 107.6° | 107.6° |
| C33 | C31 | C32 | 110.0° | 110.0° |
| C33 | C31 | C29 | 105.9° | 105.9° |
| C33 | C31 | H28 | 107.9° | 107.9° |
| C34 | C35 | O41 | 119.1° | 119.1° |
| C35 | C34 | H32 | 107.6° | 107.6° |
| C35 | C34 | H33 | 107.6° | 107.6° |
| C22 | C15 | C16 | 117.5° | 117.5° |
| C22 | C15 | C13 | 103.4° | 103.4° |
| C22 | C15 | H14 | 110.9° | 110.9° |
| C15 | C22 | H21 | 109.5° | 109.5° |
| C15 | C22 | H22 | 109.5° | 109.5° |
| C15 | C22 | H23 | 109.5° | 109.5° |
| C40 | C39 | C20 | 117.9° | 117.9° |
| C40 | C39 | H38 | 106.4° | 106.4° |
| C39 | C40 | H39 | 109.5° | 109.5° |
| C39 | C40 | H40 | 109.5° | 109.5° |
| C39 | C40 | H41 | 109.5° | 109.5° |
| C39 | C20 | C18 | 121.5° | 121.5° |
| C39 | C20 | O21 | 109.7° | 109.7° |
| C39 | C20 | H20 | 104.7° | 104.7° |
| C20 | C39 | H38 | 106.2° | 106.2° |
| C32 | C31 | C29 | 116.8° | 116.8° |
| C32 | C31 | H28 | 108.0° | 108.0° |
| C31 | C32 | H29 | 109.5° | 109.5° |
| C31 | C32 | H30 | 109.5° | 109.5° |
| C31 | C32 | H31 | 109.5° | 109.4° |
| C31 | C29 | O30 | 105.3° | 105.3° |
| C31 | C29 | C28 | 122.4° | 122.4° |
| C31 | C29 | H27 | 107.1° | 107.1° |
| C29 | C31 | H28 | 107.9° | 107.9° |
| C16 | C15 | C13 | 102.5° | 102.5° |
| C15 | C16 | C18 | 119.7° | 119.7° |
| C15 | C16 | O17 | 110.1° | 110.1° |
| C16 | C15 | H14 | 110.7° | 110.7° |
| C15 | C16 | H15 | 105.3° | 105.3° |
| C15 | C13 | O14 | 106.9° | 106.9° |
| C15 | C13 | C11 | 111.8° | 111.8° |
| C15 | C13 | H13 | 110.0° | 110.0° |
| C13 | C15 | H14 | 111.2° | 111.2° |
| C20 | C18 | C16 | 111.4° | 111.4° |
| C18 | C20 | O21 | 108.6° | 108.6° |
| C20 | C18 | H16 | 104.1° | 104.1° |
| C18 | C20 | H20 | 104.8° | 104.8° |
| C18 | C16 | O17 | 108.8° | 108.8° |
| C18 | C16 | H15 | 105.3° | 105.3° |
| C16 | C18 | H16 | 104.2° | 104.2° |
| O21 | C20 | H20 | 106.4° | 106.4° |
| C20 | O21 | H48 | 109.5° | 109.5° |
| O17 | C16 | H15 | 106.8° | 106.8° |
| C16 | O17 | H47 | 109.5° | 109.5° |
| O14 | C13 | C11 | 106.6° | 106.6° |
| O14 | C13 | H13 | 111.6° | 111.6° |
| C13 | O14 | H46 | 109.5° | 109.5° |
| C13 | C11 | C12 | 107.7° | 107.7° |
| C13 | C11 | C09 | 103.8° | 103.8° |
| C13 | C11 | H9 | 111.4° | 111.4° |
| C11 | C13 | H13 | 109.9° | 109.9° |
| O30 | C29 | C28 | 105.6° | 105.6° |
| O30 | C29 | H27 | 108.7° | 108.7° |
| C29 | O30 | H50 | 109.5° | 109.5° |
| C29 | C28 | C26 | 128.5° | 128.5° |
| C29 | C28 | C43 | 112.2° | 112.2° |
| C28 | C29 | H27 | 107.2° | 107.2° |
| C12 | C11 | C09 | 111.3° | 111.3° |
| C12 | C11 | H9 | 111.2° | 111.2° |
| C11 | C12 | H10 | 109.5° | 109.5° |
| C11 | C12 | H11 | 109.5° | 109.5° |
| C11 | C12 | H12 | 109.4° | 109.4° |
| O27 | C26 | C28 | 123.7° | 123.7° |
| O27 | C26 | C25 | 117.9° | 117.9° |
| C26 | O27 | H49 | 109.5° | 109.5° |
| C11 | C09 | O10 | 108.0° | 108.0° |
| C11 | C09 | C08 | 112.7° | 112.7° |
| C11 | C09 | H8 | 108.4° | 108.4° |
| C09 | C11 | H9 | 111.2° | 111.2° |
| C26 | C28 | C43 | 119.2° | 119.2° |
| C28 | C26 | C25 | 118.4° | 118.4° |
| C28 | C43 | C44 | 122.0° | 122.0° |
| C28 | C43 | H42 | 119.0° | 119.0° |
| C26 | C25 | N24 | 122.3° | 122.3° |
| C26 | C25 | C46 | 121.3° | 121.3° |
| O10 | C09 | C08 | 109.2° | 109.2° |
| O10 | C09 | H8 | 110.1° | 110.1° |
| C09 | O10 | H45 | 109.5° | 109.5° |
| C09 | C08 | C07 | 103.8° | 103.8° |
| C09 | C08 | C23 | 108.0° | 108.0° |
| C09 | C08 | H7 | 111.4° | 111.4° |
| C08 | C09 | H8 | 108.4° | 108.4° |
| C43 | C44 | C46 | 119.3° | 119.3° |
| C43 | C44 | O45 | 118.9° | 118.9° |
| C44 | C43 | H42 | 119.0° | 119.0° |
| O01 | C02 | N24 | 122.8° | 122.8° |
| O01 | C02 | C03 | 124.5° | 124.5° |
| N24 | C25 | C46 | 116.4° | 116.4° |
| C25 | N24 | C02 | 124.5° | 124.5° |
| C25 | N24 | H44 | 117.8° | 117.8° |
| C25 | C46 | C44 | 119.8° | 119.8° |
| C25 | C46 | H43 | 120.1° | 120.1° |
| N24 | C02 | C03 | 112.8° | 112.8° |
| C02 | N24 | H44 | 117.8° | 117.8° |
| C02 | C03 | C05 | 123.9° | 123.9° |
| C02 | C03 | C04 | 117.7° | 117.7° |
| C07 | C08 | C23 | 110.3° | 110.3° |
| C08 | C07 | C06 | 117.2° | 117.2° |
| C08 | C07 | H6 | 121.4° | 121.4° |
| C07 | C08 | H7 | 111.5° | 111.5° |
| C23 | C08 | H7 | 111.5° | 111.5° |
| C08 | C23 | H24 | 109.5° | 109.5° |
| C08 | C23 | H25 | 109.5° | 109.5° |
| C08 | C23 | H26 | 109.5° | 109.5° |
| C46 | C44 | O45 | 121.8° | 121.8° |
| C44 | C46 | H43 | 120.1° | 120.1° |
| C44 | O45 | H51 | 109.5° | 109.5° |
| C07 | C06 | C05 | 119.7° | 119.7° |
| C07 | C06 | H5 | 120.1° | 120.1° |
| C06 | C07 | H6 | 121.4° | 121.4° |
| C06 | C05 | C03 | 123.4° | 123.4° |
| C06 | C05 | H4 | 118.3° | 118.3° |
| C05 | C06 | H5 | 120.1° | 120.1° |
| C05 | C03 | C04 | 118.3° | 118.3° |
| C03 | C05 | H4 | 118.3° | 118.3° |
| C03 | C04 | H1 | 109.5° | 109.5° |
| C03 | C04 | H2 | 109.5° | 109.5° |
| C03 | C04 | H3 | 109.4° | 109.4° |
| H1 | C04 | H2 | 109.5° | 109.5° |
| H1 | C04 | H3 | 109.5° | 109.5° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.4° | 109.4° |
| H10 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H21 | C22 | H23 | 109.4° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H29 | C32 | H30 | 109.4° | 109.4° |
| H29 | C32 | H31 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.4° | 109.5° |
| H32 | C34 | H33 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H34 | C37 | H36 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H39 | C40 | H40 | 109.5° | 109.5° |
| H39 | C40 | H41 | 109.5° | 109.5° |
| H40 | C40 | H41 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C38 | C35 | 178.2° | 178.2° |
| C37 | C36 | C38 | C39 | 179.8° | 179.8° |
| C37 | C36 | C35 | C34 | 41.5° | 41.5° |
| C37 | C36 | C35 | O41 | 137.4° | 137.4° |
| C36 | C37 | H34 | H35 | 120.0° | 120.0° |
| C36 | C37 | H34 | H36 | 120.0° | 120.0° |
| C36 | C37 | H35 | H36 | 120.0° | 120.0° |
| C37 | C36 | C38 | H37 | 0.2° | 0.2° |
| O42 | C33 | C34 | C31 | 178.5° | 178.5° |
| O42 | C33 | C34 | C35 | 102.2° | 102.2° |
| O42 | C33 | C31 | C32 | 58.9° | 58.9° |
| O42 | C33 | C31 | C29 | 173.9° | 173.9° |
| O42 | C33 | C31 | H28 | 58.6° | 58.6° |
| O42 | C33 | C34 | H32 | 136.8° | 136.8° |
| O42 | C33 | C34 | H33 | 18.9° | 18.9° |
| C36 | C38 | C39 | H37 | 180.0° | 180.0° |
| C38 | C36 | C35 | C34 | 136.7° | 136.7° |
| C38 | C36 | C35 | O41 | 44.4° | 44.4° |
| C36 | C38 | C39 | C40 | 150.7° | 150.7° |
| C36 | C38 | C39 | C20 | 78.5° | 78.5° |
| C38 | C36 | C37 | H34 | 180.0° | 180.0° |
| C38 | C36 | C37 | H35 | 60.0° | 60.0° |
| C38 | C36 | C37 | H36 | 60.0° | 60.0° |
| C36 | C38 | C39 | H38 | 36.5° | 36.5° |
| C35 | C36 | C38 | C39 | 2.0° | 2.0° |
| C36 | C35 | C34 | C33 | 64.6° | 64.6° |
| C36 | C35 | C34 | O41 | 178.9° | 178.9° |
| C36 | C35 | C34 | H32 | 174.3° | 174.3° |
| C36 | C35 | C34 | H33 | 56.4° | 56.4° |
| C35 | C36 | C37 | H34 | 1.7° | 1.7° |
| C35 | C36 | C37 | H35 | 118.3° | 118.3° |
| C35 | C36 | C37 | H36 | 121.7° | 121.7° |
| C35 | C36 | C38 | H37 | 178.0° | 178.0° |
| C38 | C39 | C40 | C20 | 126.8° | 126.8° |
| C38 | C39 | C40 | H38 | 114.3° | 114.3° |
| C38 | C39 | C20 | H38 | 115.2° | 115.2° |
| C38 | C39 | C20 | C18 | 70.7° | 70.7° |
| C38 | C39 | C20 | O21 | 161.2° | 161.2° |
| C38 | C39 | C20 | H20 | 47.4° | 47.4° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | H40 | 60.0° | 60.0° |
| C38 | C39 | C40 | H41 | 60.0° | 60.0° |
| C19 | C18 | C20 | C39 | 47.2° | 47.2° |
| C19 | C18 | C16 | C15 | 38.5° | 38.5° |
| C19 | C18 | C20 | C16 | 134.6° | 134.6° |
| C19 | C18 | C20 | H16 | 113.7° | 113.7° |
| C19 | C18 | C16 | H16 | 113.6° | 113.6° |
| C19 | C18 | C20 | O21 | 175.8° | 175.8° |
| C19 | C18 | C16 | O17 | 89.1° | 89.1° |
| C19 | C18 | C16 | H15 | 156.6° | 156.6° |
| C18 | C19 | H17 | H18 | 120.0° | 120.0° |
| C18 | C19 | H17 | H19 | 120.0° | 120.0° |
| C18 | C19 | H18 | H19 | 120.0° | 120.0° |
| C19 | C18 | C20 | H20 | 70.8° | 70.8° |
| C33 | C34 | C35 | H32 | 121.1° | 121.0° |
| C33 | C34 | C35 | H33 | 121.1° | 121.1° |
| C33 | C34 | C35 | O41 | 116.4° | 116.4° |
| C34 | C33 | C31 | C32 | 122.5° | 122.5° |
| C34 | C33 | C31 | C29 | 4.6° | 4.6° |
| C34 | C33 | C31 | H28 | 119.9° | 119.9° |
| C33 | C34 | H32 | H33 | 116.6° | 116.6° |
| C31 | C33 | C34 | C35 | 79.3° | 79.3° |
| C33 | C31 | C32 | C29 | 120.7° | 120.7° |
| C33 | C31 | C32 | H28 | 117.6° | 117.6° |
| C33 | C31 | C29 | H28 | 115.4° | 115.4° |
| C33 | C31 | C29 | O30 | 80.5° | 80.5° |
| C33 | C31 | C29 | C28 | 159.2° | 159.2° |
| C33 | C31 | C29 | H27 | 35.1° | 35.1° |
| C33 | C31 | C32 | H29 | 180.0° | 180.0° |
| C33 | C31 | C32 | H30 | 60.0° | 60.0° |
| C33 | C31 | C32 | H31 | 60.0° | 60.0° |
| C31 | C33 | C34 | H32 | 41.8° | 41.8° |
| C31 | C33 | C34 | H33 | 159.6° | 159.6° |
| C35 | C34 | H32 | H33 | 116.7° | 116.7° |
| C22 | C15 | C16 | C13 | 112.5° | 112.5° |
| C22 | C15 | C16 | H14 | 128.8° | 128.8° |
| C22 | C15 | C13 | H14 | 119.0° | 119.0° |
| C22 | C15 | C16 | C18 | 77.3° | 77.3° |
| C22 | C15 | C16 | O17 | 49.8° | 49.8° |
| C22 | C15 | C13 | O14 | 65.8° | 65.8° |
| C22 | C15 | C13 | C11 | 177.9° | 177.9° |
| C22 | C15 | C13 | H13 | 55.5° | 55.5° |
| C22 | C15 | C16 | H15 | 164.6° | 164.6° |
| C15 | C22 | H21 | H22 | 120.0° | 120.0° |
| C15 | C22 | H21 | H23 | 120.0° | 120.0° |
| C15 | C22 | H22 | H23 | 120.0° | 120.0° |
| O41 | C35 | C34 | H32 | 4.6° | 4.6° |
| O41 | C35 | C34 | H33 | 122.5° | 122.5° |
| C40 | C39 | C20 | H38 | 119.1° | 119.1° |
| C40 | C39 | C20 | C18 | 55.0° | 55.0° |
| C40 | C39 | C20 | O21 | 73.1° | 73.1° |
| C40 | C39 | C20 | H20 | 173.1° | 173.1° |
| C40 | C39 | C38 | H37 | 29.3° | 29.3° |
| C39 | C40 | H39 | H40 | 120.0° | 120.0° |
| C39 | C40 | H39 | H41 | 120.0° | 120.0° |
| C39 | C40 | H40 | H41 | 120.0° | 120.0° |
| C39 | C20 | C18 | O21 | 128.6° | 128.6° |
| C39 | C20 | C18 | H20 | 118.1° | 118.1° |
| C39 | C20 | C18 | C16 | 87.4° | 87.4° |
| C39 | C20 | O21 | H20 | 112.7° | 112.7° |
| C39 | C20 | C18 | H16 | 160.9° | 160.9° |
| C20 | C39 | C38 | H37 | 101.5° | 101.5° |
| C20 | C39 | C40 | H39 | 53.3° | 53.3° |
| C20 | C39 | C40 | H40 | 66.8° | 66.8° |
| C20 | C39 | C40 | H41 | 173.3° | 173.3° |
| C39 | C20 | O21 | H48 | 180.0° | 180.0° |
| C32 | C31 | C29 | H28 | 121.7° | 121.7° |
| C32 | C31 | C29 | O30 | 156.6° | 156.6° |
| C32 | C31 | C29 | C28 | 36.3° | 36.3° |
| C32 | C31 | C29 | H27 | 87.8° | 87.8° |
| C31 | C32 | H29 | H30 | 120.0° | 120.0° |
| C31 | C32 | H29 | H31 | 120.0° | 120.0° |
| C31 | C32 | H30 | H31 | 120.0° | 120.0° |
| C31 | C29 | O30 | C28 | 130.8° | 130.8° |
| C31 | C29 | O30 | H27 | 114.5° | 114.5° |
| C31 | C29 | C28 | H27 | 124.1° | 124.1° |
| C31 | C29 | C28 | C26 | 60.3° | 60.3° |
| C31 | C29 | C28 | C43 | 122.9° | 122.9° |
| C29 | C31 | C32 | H29 | 59.2° | 59.2° |
| C29 | C31 | C32 | H30 | 60.8° | 60.8° |
| C29 | C31 | C32 | H31 | 179.3° | 179.2° |
| C31 | C29 | O30 | H50 | 180.0° | 180.0° |
| C16 | C15 | C13 | H14 | 118.4° | 118.4° |
| C15 | C16 | C18 | C20 | 96.2° | 96.2° |
| C15 | C16 | C18 | O17 | 127.7° | 127.7° |
| C15 | C16 | C18 | H15 | 118.1° | 118.1° |
| C15 | C16 | O17 | H15 | 113.9° | 113.9° |
| C16 | C15 | C13 | O14 | 56.8° | 56.8° |
| C16 | C15 | C13 | C11 | 59.5° | 59.5° |
| C16 | C15 | C13 | H13 | 178.1° | 178.1° |
| C15 | C16 | C18 | H16 | 152.2° | 152.2° |
| C16 | C15 | C22 | H21 | 180.0° | 180.0° |
| C16 | C15 | C22 | H22 | 60.0° | 60.0° |
| C16 | C15 | C22 | H23 | 60.0° | 60.0° |
| C15 | C16 | O17 | H47 | 180.0° | 180.0° |
| C13 | C15 | C16 | C18 | 170.2° | 170.2° |
| C13 | C15 | C16 | O17 | 62.7° | 62.7° |
| C15 | C13 | O14 | C11 | 119.7° | 119.7° |
| C15 | C13 | O14 | H13 | 120.3° | 120.3° |
| C15 | C13 | C11 | H13 | 122.4° | 122.4° |
| C15 | C13 | C11 | C12 | 82.1° | 82.1° |
| C15 | C13 | C11 | C09 | 159.7° | 159.7° |
| C15 | C13 | C11 | H9 | 40.0° | 40.0° |
| C13 | C15 | C16 | H15 | 52.1° | 52.1° |
| C13 | C15 | C22 | H21 | 68.0° | 68.0° |
| C13 | C15 | C22 | H22 | 52.1° | 52.1° |
| C13 | C15 | C22 | H23 | 172.0° | 172.0° |
| C15 | C13 | O14 | H46 | 180.0° | 180.0° |
| C20 | C18 | C16 | H16 | 111.7° | 111.7° |
| C18 | C20 | O21 | H20 | 112.3° | 112.3° |
| C20 | C18 | C16 | O17 | 136.2° | 136.2° |
| C20 | C18 | C16 | H15 | 21.9° | 21.9° |
| C20 | C18 | C19 | H17 | 180.0° | 180.0° |
| C20 | C18 | C19 | H18 | 60.0° | 60.0° |
| C20 | C18 | C19 | H19 | 60.0° | 60.0° |
| C18 | C20 | C39 | H38 | 174.1° | 174.1° |
| C18 | C20 | O21 | H48 | 45.0° | 45.0° |
| C16 | C18 | C20 | O21 | 41.2° | 41.2° |
| C18 | C16 | O17 | H15 | 113.2° | 113.2° |
| C18 | C16 | C15 | H14 | 51.5° | 51.5° |
| C16 | C18 | C19 | H17 | 47.3° | 47.3° |
| C16 | C18 | C19 | H18 | 167.3° | 167.3° |
| C16 | C18 | C19 | H19 | 72.7° | 72.7° |
| C16 | C18 | C20 | H20 | 154.6° | 154.6° |
| C18 | C16 | O17 | H47 | 47.0° | 47.0° |
| O21 | C20 | C18 | H16 | 70.5° | 70.5° |
| O21 | C20 | C39 | H38 | 46.0° | 46.0° |
| O17 | C16 | C15 | H14 | 178.6° | 178.6° |
| O17 | C16 | C18 | H16 | 24.5° | 24.5° |
| O14 | C13 | C11 | H13 | 121.2° | 121.2° |
| O14 | C13 | C11 | C12 | 161.4° | 161.4° |
| O14 | C13 | C11 | C09 | 43.3° | 43.3° |
| O14 | C13 | C11 | H9 | 76.4° | 76.4° |
| O14 | C13 | C15 | H14 | 175.2° | 175.2° |
| C13 | C11 | C12 | C09 | 113.2° | 113.2° |
| C13 | C11 | C12 | H9 | 122.2° | 122.2° |
| C13 | C11 | C09 | H9 | 119.8° | 119.8° |
| C13 | C11 | C09 | O10 | 98.6° | 98.6° |
| C13 | C11 | C09 | C08 | 140.7° | 140.7° |
| C13 | C11 | C09 | H8 | 20.6° | 20.6° |
| C13 | C11 | C12 | H10 | 180.0° | 180.0° |
| C13 | C11 | C12 | H11 | 60.0° | 60.0° |
| C13 | C11 | C12 | H12 | 60.0° | 60.0° |
| C11 | C13 | C15 | H14 | 58.9° | 58.9° |
| C11 | C13 | O14 | H46 | 60.3° | 60.3° |
| O30 | C29 | C28 | H27 | 115.8° | 115.8° |
| O30 | C29 | C28 | C26 | 179.6° | 179.6° |
| O30 | C29 | C28 | C43 | 2.7° | 2.7° |
| O30 | C29 | C31 | H28 | 34.9° | 34.9° |
| C29 | C28 | C26 | O27 | 2.1° | 2.1° |
| C29 | C28 | C26 | C43 | 176.7° | 176.7° |
| C29 | C28 | C26 | C25 | 178.4° | 178.4° |
| C29 | C28 | C43 | C44 | 178.8° | 178.8° |
| C28 | C29 | C31 | H28 | 85.4° | 85.4° |
| C29 | C28 | C43 | H42 | 1.2° | 1.2° |
| C28 | C29 | O30 | H50 | 49.2° | 49.2° |
| C12 | C11 | C09 | H9 | 124.6° | 124.6° |
| C12 | C11 | C09 | O10 | 16.9° | 16.9° |
| C12 | C11 | C09 | C08 | 103.7° | 103.7° |
| C12 | C11 | C09 | H8 | 136.2° | 136.2° |
| C11 | C12 | H10 | H11 | 120.0° | 120.0° |
| C11 | C12 | H10 | H12 | 120.0° | 120.0° |
| C11 | C12 | H11 | H12 | 120.0° | 120.0° |
| C12 | C11 | C13 | H13 | 40.3° | 40.3° |
| O27 | C26 | C28 | C25 | 179.5° | 179.5° |
| O27 | C26 | C28 | C43 | 178.7° | 178.7° |
| O27 | C26 | C25 | N24 | 0.6° | 0.6° |
| O27 | C26 | C25 | C46 | 179.1° | 179.1° |
| C11 | C09 | O10 | C08 | 122.8° | 122.8° |
| C11 | C09 | O10 | H8 | 118.2° | 118.2° |
| C11 | C09 | C08 | H8 | 120.0° | 120.0° |
| C11 | C09 | C08 | C07 | 83.5° | 83.5° |
| C11 | C09 | C08 | C23 | 159.4° | 159.4° |
| C11 | C09 | C08 | H7 | 36.7° | 36.6° |
| C09 | C11 | C12 | H10 | 66.8° | 66.8° |
| C09 | C11 | C12 | H11 | 53.2° | 53.2° |
| C09 | C11 | C12 | H12 | 173.2° | 173.2° |
| C09 | C11 | C13 | H13 | 77.9° | 77.9° |
| C11 | C09 | O10 | H45 | 180.0° | 180.0° |
| C26 | C28 | C43 | C44 | 1.6° | 1.6° |
| C28 | C26 | C25 | N24 | 179.0° | 179.0° |
| C28 | C26 | C25 | C46 | 1.4° | 1.4° |
| C26 | C28 | C29 | H27 | 63.8° | 63.8° |
| C26 | C28 | C43 | H42 | 178.4° | 178.4° |
| C28 | C26 | O27 | H49 | 140.6° | 140.6° |
| C43 | C28 | C26 | C25 | 1.7° | 1.7° |
| C28 | C43 | C44 | H42 | 180.0° | 180.0° |
| C28 | C43 | C44 | C46 | 1.1° | 1.1° |
| C28 | C43 | C44 | O45 | 178.9° | 178.9° |
| C43 | C28 | C29 | H27 | 113.1° | 113.1° |
| C26 | C25 | N24 | C46 | 179.7° | 179.7° |
| C26 | C25 | N24 | C02 | 50.7° | 50.7° |
| C26 | C25 | C46 | C44 | 0.8° | 0.8° |
| C26 | C25 | C46 | H43 | 179.1° | 179.2° |
| C26 | C25 | N24 | H44 | 129.3° | 129.3° |
| C25 | C26 | O27 | H49 | 39.9° | 39.9° |
| O10 | C09 | C08 | H8 | 120.0° | 120.0° |
| O10 | C09 | C08 | C07 | 36.5° | 36.5° |
| O10 | C09 | C08 | C23 | 80.6° | 80.6° |
| O10 | C09 | C08 | H7 | 156.6° | 156.6° |
| O10 | C09 | C11 | H9 | 141.5° | 141.5° |
| C09 | C08 | C07 | C23 | 115.5° | 115.5° |
| C09 | C08 | C07 | H7 | 120.0° | 120.0° |
| C09 | C08 | C23 | H7 | 122.7° | 122.7° |
| C09 | C08 | C07 | C06 | 98.1° | 98.1° |
| C09 | C08 | C07 | H6 | 81.9° | 81.9° |
| C08 | C09 | C11 | H9 | 20.8° | 20.8° |
| C09 | C08 | C23 | H24 | 180.0° | 180.0° |
| C09 | C08 | C23 | H25 | 60.0° | 60.0° |
| C09 | C08 | C23 | H26 | 60.0° | 60.0° |
| C08 | C09 | O10 | H45 | 57.2° | 57.2° |
| C43 | C44 | C46 | C25 | 0.7° | 0.7° |
| C43 | C44 | C46 | O45 | 180.0° | 180.0° |
| C43 | C44 | C46 | H43 | 179.3° | 179.3° |
| C43 | C44 | O45 | H51 | 180.0° | 180.0° |
| O01 | C02 | N24 | C25 | 1.7° | 1.7° |
| O01 | C02 | N24 | C03 | 179.8° | 179.8° |
| O01 | C02 | C03 | C05 | 19.3° | 19.3° |
| O01 | C02 | C03 | C04 | 163.8° | 163.8° |
| O01 | C02 | N24 | H44 | 178.3° | 178.3° |
| C25 | N24 | C02 | H44 | 180.0° | 180.0° |
| C25 | N24 | C02 | C03 | 178.1° | 178.1° |
| N24 | C25 | C46 | C44 | 179.5° | 179.5° |
| N24 | C25 | C46 | H43 | 0.6° | 0.5° |
| C46 | C25 | N24 | C02 | 129.0° | 129.0° |
| C25 | C46 | C44 | H43 | 180.0° | 180.0° |
| C25 | C46 | C44 | O45 | 179.3° | 179.3° |
| C46 | C25 | N24 | H44 | 51.0° | 51.0° |
| N24 | C02 | C03 | C05 | 160.5° | 160.5° |
| N24 | C02 | C03 | C04 | 16.4° | 16.4° |
| C02 | C03 | C05 | C06 | 3.5° | 3.5° |
| C02 | C03 | C05 | C04 | 176.9° | 176.9° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | H2 | 60.0° | 60.0° |
| C02 | C03 | C04 | H3 | 60.0° | 60.0° |
| C02 | C03 | C05 | H4 | 176.5° | 176.5° |
| C03 | C02 | N24 | H44 | 1.9° | 1.9° |
| C07 | C08 | C23 | H7 | 124.5° | 124.5° |
| C08 | C07 | C06 | H6 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 176.9° | 176.9° |
| C08 | C07 | C06 | H5 | 3.1° | 3.1° |
| C07 | C08 | C09 | H8 | 156.5° | 156.5° |
| C07 | C08 | C23 | H24 | 67.1° | 67.1° |
| C07 | C08 | C23 | H25 | 172.8° | 172.8° |
| C07 | C08 | C23 | H26 | 52.8° | 52.8° |
| C23 | C08 | C07 | C06 | 146.4° | 146.4° |
| C23 | C08 | C07 | H6 | 33.6° | 33.6° |
| C23 | C08 | C09 | H8 | 39.4° | 39.4° |
| C08 | C23 | H24 | H25 | 120.0° | 120.0° |
| C08 | C23 | H24 | H26 | 120.0° | 120.0° |
| C08 | C23 | H25 | H26 | 120.0° | 120.0° |
| C46 | C44 | C43 | H42 | 178.9° | 178.9° |
| C46 | C44 | O45 | H51 | 0.0° | 0.0° |
| O45 | C44 | C43 | H42 | 1.1° | 1.1° |
| O45 | C44 | C46 | H43 | 0.7° | 0.6° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C07 | C06 | C05 | C03 | 175.9° | 175.9° |
| C07 | C06 | C05 | H4 | 4.1° | 4.1° |
| C06 | C07 | C08 | H7 | 21.9° | 21.9° |
| C06 | C05 | C03 | H4 | 180.0° | 180.0° |
| C06 | C05 | C03 | C04 | 179.6° | 179.6° |
| C05 | C06 | C07 | H6 | 3.1° | 3.1° |
| C05 | C03 | C04 | H1 | 2.9° | 2.9° |
| C05 | C03 | C04 | H2 | 123.0° | 123.0° |
| C05 | C03 | C04 | H3 | 117.1° | 117.1° |
| C03 | C05 | C06 | H5 | 4.0° | 4.0° |
| C03 | C04 | H1 | H2 | 120.0° | 120.0° |
| C03 | C04 | H1 | H3 | 120.0° | 120.0° |
| C03 | C04 | H2 | H3 | 120.0° | 120.0° |
| C04 | C03 | C05 | H4 | 0.4° | 0.4° |
| H1 | C04 | H2 | H3 | 120.0° | 120.0° |
| H4 | C05 | C06 | H5 | 176.0° | 176.0° |
| H5 | C06 | C07 | H6 | 176.9° | 176.9° |
| H6 | C07 | C08 | H7 | 158.1° | 158.1° |
| H7 | C08 | C09 | H8 | 83.4° | 83.4° |
| H7 | C08 | C23 | H24 | 57.3° | 57.3° |
| H7 | C08 | C23 | H25 | 62.7° | 62.7° |
| H7 | C08 | C23 | H26 | 177.3° | 177.3° |
| H8 | C09 | C11 | H9 | 99.2° | 99.2° |
| H8 | C09 | O10 | H45 | 61.8° | 61.7° |
| H9 | C11 | C12 | H10 | 57.8° | 57.8° |
| H9 | C11 | C12 | H11 | 177.8° | 177.7° |
| H9 | C11 | C12 | H12 | 62.2° | 62.2° |
| H9 | C11 | C13 | H13 | 162.4° | 162.4° |
| H10 | C12 | H11 | H12 | 120.0° | 120.0° |
| H13 | C13 | C15 | H14 | 63.5° | 63.5° |
| H13 | C13 | O14 | H46 | 59.7° | 59.7° |
| H14 | C15 | C16 | H15 | 66.6° | 66.6° |
| H14 | C15 | C22 | H21 | 51.2° | 51.3° |
| H14 | C15 | C22 | H22 | 171.3° | 171.3° |
| H14 | C15 | C22 | H23 | 68.7° | 68.7° |
| H15 | C16 | C18 | H16 | 89.7° | 89.7° |
| H15 | C16 | O17 | H47 | 66.2° | 66.2° |
| H16 | C18 | C19 | H17 | 66.4° | 66.4° |
| H16 | C18 | C19 | H18 | 53.6° | 53.7° |
| H16 | C18 | C19 | H19 | 173.6° | 173.6° |
| H16 | C18 | C20 | H20 | 42.9° | 42.9° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
| H20 | C20 | C39 | H38 | 67.8° | 67.8° |
| H20 | C20 | O21 | H48 | 67.3° | 67.3° |
| H21 | C22 | H22 | H23 | 120.0° | 120.0° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
| H27 | C29 | C31 | H28 | 150.5° | 150.5° |
| H27 | C29 | O30 | H50 | 65.5° | 65.5° |
| H28 | C31 | C32 | H29 | 62.5° | 62.5° |
| H28 | C31 | C32 | H30 | 177.6° | 177.6° |
| H28 | C31 | C32 | H31 | 57.6° | 57.6° |
| H29 | C32 | H30 | H31 | 120.0° | 120.0° |
| H34 | C37 | H35 | H36 | 120.0° | 120.0° |
| H37 | C38 | C39 | H38 | 143.5° | 143.5° |
| H38 | C39 | C40 | H39 | 65.7° | 65.7° |
| H38 | C39 | C40 | H40 | 174.3° | 174.3° |
| H38 | C39 | C40 | H41 | 54.3° | 54.3° |
| H39 | C40 | H40 | H41 | 120.0° | 120.0° |
