OWI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C25 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | N18 | sing | 1.47Å | 1.47Å | |
| O41 | S30 | doub | 1.42Å | 1.46Å | |
| O40 | S30 | doub | 1.42Å | 1.46Å | |
| N18 | C26 | sing | 1.47Å | 1.48Å | |
| N18 | C17 | sing | 1.47Å | 1.45Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| S30 | C31 | sing | 1.76Å | 1.83Å | |
| S30 | N29 | sing | 1.66Å | 1.72Å | |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | N35 | sing | 1.46Å | 1.45Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N29 | C28 | sing | 1.48Å | 1.46Å | |
| N29 | C42 | sing | 1.48Å | 1.45Å | |
| C34 | N35 | sing | 1.40Å | 1.46Å | |
| C34 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N04 | sing | 1.48Å | 1.45Å | |
| N35 | C36 | sing | 1.47Å | 1.44Å | |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| O06 | S05 | doub | 1.42Å | 1.46Å | |
| C42 | C02 | sing | 1.51Å | 1.52Å | |
| N04 | S05 | sing | 1.66Å | 1.72Å | |
| N04 | C03 | sing | 1.48Å | 1.43Å | |
| O14 | S05 | doub | 1.42Å | 1.46Å | |
| S05 | C07 | sing | 1.76Å | 1.83Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C01 | doub | 1.31Å | 1.31Å | |
| C07 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.08Å | 1.08Å | |
| C01 | H18 | sing | 1.08Å | 1.08Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.08Å | 1.08Å | |
| C09 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å | |
| C33 | H38 | sing | 1.08Å | 1.08Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.08Å | 1.08Å | |
| C39 | H46 | sing | 1.08Å | 1.08Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 111.6° | 109.5° |
| C23 | C24 | C25 | 111.5° | 109.5° |
| C23 | C24 | H11 | 109.0° | 109.5° |
| C23 | C24 | H12 | 109.0° | 109.5° |
| C24 | C23 | H31 | 109.0° | 109.5° |
| C24 | C23 | H32 | 109.0° | 109.4° |
| C23 | C22 | C21 | 112.9° | 109.5° |
| C23 | C22 | H9 | 108.6° | 109.5° |
| C23 | C22 | H10 | 108.6° | 109.5° |
| C22 | C23 | H31 | 108.9° | 109.4° |
| C22 | C23 | H32 | 109.0° | 109.5° |
| C24 | C25 | C20 | 112.0° | 109.5° |
| C25 | C24 | H11 | 108.9° | 109.4° |
| C25 | C24 | H12 | 109.0° | 109.4° |
| C24 | C25 | H33 | 108.8° | 109.5° |
| C24 | C25 | H34 | 108.8° | 109.5° |
| C22 | C21 | C20 | 112.6° | 109.5° |
| C22 | C21 | H7 | 108.7° | 109.5° |
| C22 | C21 | H8 | 108.7° | 109.5° |
| C21 | C22 | H9 | 108.6° | 109.5° |
| C21 | C22 | H10 | 108.6° | 109.5° |
| C25 | C20 | C21 | 112.4° | 109.4° |
| C25 | C20 | C19 | 109.2° | 109.5° |
| C25 | C20 | H6 | 108.8° | 109.5° |
| C20 | C25 | H33 | 108.9° | 109.5° |
| C20 | C25 | H34 | 108.8° | 109.5° |
| C21 | C20 | C19 | 108.7° | 109.5° |
| C21 | C20 | H6 | 108.9° | 109.5° |
| C20 | C21 | H7 | 108.7° | 109.5° |
| C20 | C21 | H8 | 108.7° | 109.4° |
| C20 | C19 | N18 | 109.5° | 109.5° |
| C19 | C20 | H6 | 108.7° | 109.5° |
| C20 | C19 | H29 | 109.5° | 109.5° |
| C20 | C19 | H30 | 109.5° | 109.5° |
| C19 | N18 | C26 | 106.8° | 111.0° |
| C19 | N18 | C17 | 108.1° | 111.0° |
| N18 | C19 | H29 | 109.5° | 109.5° |
| N18 | C19 | H30 | 109.4° | 109.5° |
| O41 | S30 | O40 | 100.5° | 123.2° |
| O41 | S30 | C31 | 109.3° | 106.4° |
| O41 | S30 | N29 | 113.3° | 106.4° |
| O40 | S30 | C31 | 111.2° | 106.4° |
| O40 | S30 | N29 | 109.9° | 106.4° |
| C26 | N18 | C17 | 110.9° | 111.0° |
| N18 | C26 | C27 | 113.9° | 109.5° |
| N18 | C26 | H13 | 108.4° | 109.4° |
| N18 | C26 | H14 | 108.3° | 109.5° |
| N18 | C17 | C16 | 113.5° | 109.5° |
| N18 | C17 | H4 | 108.5° | 109.5° |
| N18 | C17 | H5 | 108.4° | 109.5° |
| C33 | C32 | C31 | 120.2° | 120.0° |
| C32 | C33 | C34 | 119.5° | 120.0° |
| C33 | C32 | H37 | 119.9° | 120.0° |
| C32 | C33 | H38 | 120.3° | 119.9° |
| C32 | C31 | S30 | 118.4° | 119.9° |
| C32 | C31 | C39 | 120.2° | 120.2° |
| C31 | C32 | H37 | 119.9° | 120.0° |
| C26 | C27 | C28 | 112.5° | 109.5° |
| C27 | C26 | H13 | 108.3° | 109.4° |
| C27 | C26 | H14 | 108.4° | 109.5° |
| C26 | C27 | H35 | 108.8° | 109.5° |
| C26 | C27 | H36 | 108.7° | 109.5° |
| C17 | C16 | C15 | 113.7° | 109.5° |
| C16 | C17 | H4 | 108.4° | 109.5° |
| C16 | C17 | H5 | 108.5° | 109.4° |
| C17 | C16 | H27 | 108.4° | 109.5° |
| C17 | C16 | H28 | 108.4° | 109.5° |
| C31 | S30 | N29 | 112.1° | 107.2° |
| S30 | C31 | C39 | 121.4° | 120.0° |
| S30 | N29 | C28 | 116.8° | 122.3° |
| S30 | N29 | C42 | 117.2° | 122.3° |
| C33 | C34 | N35 | 119.4° | 120.0° |
| C33 | C34 | C38 | 120.4° | 119.8° |
| C34 | C33 | H38 | 120.2° | 120.1° |
| C31 | C39 | C38 | 119.7° | 120.1° |
| C31 | C39 | H46 | 120.1° | 119.9° |
| C37 | N35 | C34 | 119.8° | 120.0° |
| C37 | N35 | C36 | 119.8° | 120.0° |
| N35 | C37 | H42 | 109.5° | 109.5° |
| N35 | C37 | H43 | 109.5° | 109.5° |
| N35 | C37 | H44 | 109.4° | 109.5° |
| C16 | C15 | N04 | 113.5° | 108.5° |
| C16 | C15 | H2 | 108.5° | 109.6° |
| C16 | C15 | H3 | 108.4° | 109.7° |
| C15 | C16 | H27 | 108.4° | 109.5° |
| C15 | C16 | H28 | 108.4° | 109.5° |
| C27 | C28 | N29 | 111.5° | 108.5° |
| C27 | C28 | H15 | 108.9° | 109.6° |
| C27 | C28 | H16 | 109.0° | 109.6° |
| C28 | C27 | H35 | 108.7° | 109.5° |
| C28 | C27 | H36 | 108.7° | 109.5° |
| C28 | N29 | C42 | 119.4° | 115.4° |
| N29 | C28 | H15 | 109.0° | 109.6° |
| N29 | C28 | H16 | 109.0° | 109.8° |
| N29 | C42 | C02 | 116.2° | 108.5° |
| N29 | C42 | H47 | 107.7° | 109.6° |
| N29 | C42 | H48 | 107.8° | 109.8° |
| N35 | C34 | C38 | 120.2° | 120.1° |
| C34 | N35 | C36 | 120.3° | 120.0° |
| C34 | C38 | C39 | 119.9° | 120.0° |
| C34 | C38 | H45 | 120.0° | 120.0° |
| C15 | N04 | S05 | 114.8° | 122.3° |
| C15 | N04 | C03 | 116.3° | 115.4° |
| N04 | C15 | H2 | 108.5° | 109.7° |
| N04 | C15 | H3 | 108.5° | 109.6° |
| N35 | C36 | H39 | 109.5° | 109.5° |
| N35 | C36 | H40 | 109.5° | 109.5° |
| N35 | C36 | H41 | 109.5° | 109.5° |
| C39 | C38 | H45 | 120.1° | 120.1° |
| C38 | C39 | H46 | 120.1° | 120.0° |
| O06 | S05 | N04 | 111.1° | 106.4° |
| O06 | S05 | O14 | 100.9° | 123.2° |
| O06 | S05 | C07 | 109.4° | 106.4° |
| C42 | C02 | C03 | 120.8° | 120.0° |
| C42 | C02 | C01 | 120.2° | 120.0° |
| C02 | C42 | H47 | 107.8° | 109.6° |
| C02 | C42 | H48 | 107.8° | 109.6° |
| S05 | N04 | C03 | 116.9° | 122.3° |
| N04 | S05 | O14 | 112.5° | 106.4° |
| N04 | S05 | C07 | 110.2° | 107.2° |
| N04 | C03 | C02 | 111.5° | 108.5° |
| N04 | C03 | H19 | 109.0° | 109.6° |
| N04 | C03 | H20 | 108.9° | 109.6° |
| O14 | S05 | C07 | 112.4° | 106.4° |
| S05 | C07 | C13 | 119.0° | 120.0° |
| S05 | C07 | C08 | 120.6° | 120.0° |
| C03 | C02 | C01 | 119.0° | 120.0° |
| C02 | C03 | H19 | 109.0° | 109.6° |
| C02 | C03 | H20 | 109.0° | 109.6° |
| C02 | C01 | H17 | 120.0° | 120.0° |
| C02 | C01 | H18 | 120.0° | 120.0° |
| C13 | C07 | C08 | 120.4° | 120.0° |
| C07 | C13 | C12 | 120.1° | 120.0° |
| C07 | C13 | H1 | 120.0° | 120.0° |
| C07 | C08 | C09 | 119.2° | 120.0° |
| C07 | C08 | H21 | 120.4° | 120.0° |
| C13 | C12 | C10 | 119.7° | 120.0° |
| C12 | C13 | H1 | 120.0° | 119.9° |
| C13 | C12 | H26 | 120.2° | 120.1° |
| C08 | C09 | C10 | 120.6° | 120.0° |
| C09 | C08 | H21 | 120.4° | 119.9° |
| C08 | C09 | H22 | 119.7° | 120.0° |
| C12 | C10 | C09 | 120.0° | 120.0° |
| C12 | C10 | C11 | 120.0° | 120.0° |
| C10 | C12 | H26 | 120.1° | 120.0° |
| C09 | C10 | C11 | 119.9° | 120.0° |
| C10 | C09 | H22 | 119.7° | 120.0° |
| C10 | C11 | H23 | 109.5° | 109.5° |
| C10 | C11 | H24 | 109.5° | 109.4° |
| C10 | C11 | H25 | 109.5° | 109.4° |
| H2 | C15 | H3 | 109.5° | 109.6° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.7° |
| H17 | C01 | H18 | 120.0° | 120.0° |
| H19 | C03 | H20 | 109.5° | 109.8° |
| H23 | C11 | H24 | 109.4° | 109.5° |
| H23 | C11 | H25 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.4° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.4° |
| H35 | C27 | H36 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.5° |
| H39 | C36 | H41 | 109.5° | 109.5° |
| H40 | C36 | H41 | 109.5° | 109.4° |
| H42 | C37 | H43 | 109.5° | 109.4° |
| H42 | C37 | H44 | 109.5° | 109.5° |
| H43 | C37 | H44 | 109.5° | 109.5° |
| H47 | C42 | H48 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H31 | 120.3° | 120.0° |
| C24 | C23 | C22 | H32 | 120.3° | 119.9° |
| C23 | C24 | C25 | H11 | 120.3° | 120.0° |
| C23 | C24 | C25 | H12 | 120.3° | 120.0° |
| C24 | C23 | C22 | C21 | 52.6° | 60.0° |
| C23 | C24 | C25 | C20 | 55.1° | 60.0° |
| C24 | C23 | C22 | H9 | 67.9° | 179.9° |
| C24 | C23 | C22 | H10 | 173.1° | 60.0° |
| C23 | C24 | H11 | H12 | 119.1° | 120.1° |
| C24 | C23 | H31 | H32 | 119.0° | 120.0° |
| C23 | C24 | C25 | H33 | 65.2° | 179.9° |
| C23 | C24 | C25 | H34 | 175.5° | 60.0° |
| C22 | C23 | C24 | C25 | 54.7° | 60.0° |
| C23 | C22 | C21 | H9 | 120.5° | 120.0° |
| C23 | C22 | C21 | H10 | 120.5° | 120.0° |
| C23 | C22 | C21 | C20 | 50.5° | 60.0° |
| C23 | C22 | C21 | H7 | 170.9° | 60.0° |
| C23 | C22 | C21 | H8 | 70.0° | 180.0° |
| C23 | C22 | H9 | H10 | 118.5° | 120.0° |
| C22 | C23 | C24 | H11 | 175.0° | 180.0° |
| C22 | C23 | C24 | H12 | 65.6° | 60.0° |
| C22 | C23 | H31 | H32 | 119.0° | 120.0° |
| C24 | C25 | C20 | H33 | 120.4° | 120.1° |
| C24 | C25 | C20 | H34 | 120.4° | 120.0° |
| C24 | C25 | C20 | C21 | 53.0° | 60.0° |
| C24 | C25 | C20 | C19 | 173.7° | 180.0° |
| C24 | C25 | C20 | H6 | 67.8° | 60.0° |
| C25 | C24 | H11 | H12 | 119.1° | 119.9° |
| C25 | C24 | C23 | H31 | 175.0° | 60.0° |
| C25 | C24 | C23 | H32 | 65.6° | 180.0° |
| C24 | C25 | H33 | H34 | 118.8° | 120.0° |
| C22 | C21 | C20 | C25 | 50.5° | 60.0° |
| C22 | C21 | C20 | H7 | 120.5° | 120.0° |
| C22 | C21 | C20 | H8 | 120.5° | 120.0° |
| C22 | C21 | C20 | C19 | 171.5° | 180.0° |
| C22 | C21 | C20 | H6 | 70.3° | 60.0° |
| C22 | C21 | H7 | H8 | 118.6° | 120.0° |
| C21 | C22 | H9 | H10 | 118.4° | 120.0° |
| C21 | C22 | C23 | H31 | 172.9° | 60.0° |
| C21 | C22 | C23 | H32 | 67.8° | 180.0° |
| C25 | C20 | C21 | C19 | 121.0° | 120.0° |
| C25 | C20 | C21 | H6 | 120.7° | 120.0° |
| C25 | C20 | C19 | H6 | 118.6° | 120.0° |
| C25 | C20 | C19 | N18 | 134.4° | 60.5° |
| C25 | C20 | C21 | H7 | 170.9° | 60.0° |
| C25 | C20 | C21 | H8 | 70.0° | 180.0° |
| C20 | C25 | C24 | H11 | 175.4° | 180.0° |
| C20 | C25 | C24 | H12 | 65.1° | 60.0° |
| C25 | C20 | C19 | H29 | 105.6° | 179.5° |
| C25 | C20 | C19 | H30 | 14.4° | 59.5° |
| C20 | C25 | H33 | H34 | 118.9° | 120.0° |
| C21 | C20 | C19 | H6 | 118.4° | 120.0° |
| C21 | C20 | C19 | N18 | 102.7° | 179.6° |
| C20 | C21 | H7 | H8 | 118.6° | 120.0° |
| C20 | C21 | C22 | H9 | 70.0° | 179.9° |
| C20 | C21 | C22 | H10 | 171.0° | 60.0° |
| C21 | C20 | C19 | H29 | 17.4° | 59.6° |
| C21 | C20 | C19 | H30 | 137.4° | 60.4° |
| C21 | C20 | C25 | H33 | 67.4° | 179.9° |
| C21 | C20 | C25 | H34 | 173.4° | 60.0° |
| C20 | C19 | N18 | H29 | 120.0° | 120.0° |
| C20 | C19 | N18 | H30 | 120.0° | 120.0° |
| C20 | C19 | N18 | C26 | 37.9° | 169.2° |
| C20 | C19 | N18 | C17 | 157.4° | 66.9° |
| C19 | C20 | C21 | H7 | 68.0° | 60.0° |
| C19 | C20 | C21 | H8 | 51.0° | 60.0° |
| C20 | C19 | H29 | H30 | 120.0° | 120.0° |
| C19 | C20 | C25 | H33 | 53.3° | 60.0° |
| C19 | C20 | C25 | H34 | 65.9° | 60.0° |
| C19 | N18 | C26 | C17 | 117.6° | 124.0° |
| C19 | N18 | C26 | C27 | 177.5° | 1.2° |
| C19 | N18 | C17 | C16 | 132.8° | 1.7° |
| C19 | N18 | C17 | H4 | 12.2° | 118.3° |
| C19 | N18 | C17 | H5 | 106.7° | 121.7° |
| N18 | C19 | C20 | H6 | 15.7° | 59.6° |
| C19 | N18 | C26 | H13 | 56.8° | 121.2° |
| C19 | N18 | C26 | H14 | 61.9° | 118.8° |
| N18 | C19 | H29 | H30 | 120.0° | 120.0° |
| O41 | S30 | O40 | C31 | 115.6° | 122.9° |
| O41 | S30 | O40 | N29 | 119.6° | 123.0° |
| O41 | S30 | C31 | C32 | 66.6° | 156.7° |
| O41 | S30 | C31 | N29 | 126.4° | 113.6° |
| O41 | S30 | C31 | C39 | 112.7° | 23.6° |
| O41 | S30 | N29 | C28 | 33.3° | 161.2° |
| O41 | S30 | N29 | C42 | 175.3° | 18.8° |
| O40 | S30 | C31 | C32 | 43.4° | 23.8° |
| O40 | S30 | C31 | N29 | 123.5° | 113.5° |
| O40 | S30 | C31 | C39 | 137.2° | 156.5° |
| O40 | S30 | N29 | C28 | 144.8° | 65.9° |
| O40 | S30 | N29 | C42 | 63.8° | 114.1° |
| N18 | C26 | C27 | H13 | 120.7° | 120.0° |
| N18 | C26 | C27 | H14 | 120.7° | 120.0° |
| C26 | N18 | C17 | C16 | 110.5° | 122.2° |
| N18 | C26 | C27 | C28 | 130.7° | 135.0° |
| C26 | N18 | C17 | H4 | 128.9° | 117.7° |
| C26 | N18 | C17 | H5 | 10.1° | 2.3° |
| N18 | C26 | H13 | H14 | 118.0° | 120.0° |
| C26 | N18 | C19 | H29 | 157.9° | 70.8° |
| C26 | N18 | C19 | H30 | 82.1° | 49.2° |
| N18 | C26 | C27 | H35 | 108.8° | 15.0° |
| N18 | C26 | C27 | H36 | 10.3° | 105.0° |
| C17 | N18 | C26 | C27 | 59.8° | 122.8° |
| N18 | C17 | C16 | H4 | 120.6° | 120.1° |
| N18 | C17 | C16 | H5 | 120.6° | 120.0° |
| N18 | C17 | C16 | C15 | 170.8° | 134.4° |
| N18 | C17 | H4 | H5 | 118.2° | 120.0° |
| C17 | N18 | C26 | H13 | 60.8° | 2.8° |
| C17 | N18 | C26 | H14 | 179.5° | 117.2° |
| N18 | C17 | C16 | H27 | 50.2° | 14.4° |
| N18 | C17 | C16 | H28 | 68.6° | 105.6° |
| C17 | N18 | C19 | H29 | 82.6° | 53.2° |
| C17 | N18 | C19 | H30 | 37.4° | 173.1° |
| C33 | C32 | C31 | H37 | 180.0° | 180.0° |
| C33 | C32 | C31 | S30 | 179.9° | 179.7° |
| C32 | C33 | C34 | H38 | 180.0° | 180.0° |
| C33 | C32 | C31 | C39 | 0.5° | 0.0° |
| C32 | C33 | C34 | N35 | 179.7° | 180.0° |
| C32 | C33 | C34 | C38 | 0.1° | 0.0° |
| C32 | C31 | S30 | C39 | 179.4° | 179.7° |
| C32 | C31 | S30 | N29 | 166.9° | 89.7° |
| C31 | C32 | C33 | C34 | 0.2° | 0.0° |
| C32 | C31 | C39 | C38 | 0.8° | 0.0° |
| C31 | C32 | C33 | H38 | 179.9° | 180.0° |
| C32 | C31 | C39 | H46 | 179.2° | 180.0° |
| C26 | C27 | C28 | H35 | 120.5° | 120.0° |
| C26 | C27 | C28 | H36 | 120.4° | 120.0° |
| C26 | C27 | C28 | N29 | 61.8° | 127.0° |
| C27 | C26 | H13 | H14 | 118.0° | 120.0° |
| C26 | C27 | C28 | H15 | 58.5° | 113.3° |
| C26 | C27 | C28 | H16 | 177.9° | 7.1° |
| C26 | C27 | H35 | H36 | 118.6° | 120.0° |
| C17 | C16 | C15 | H27 | 120.6° | 120.0° |
| C17 | C16 | C15 | H28 | 120.6° | 120.0° |
| C17 | C16 | C15 | N04 | 68.3° | 127.3° |
| C17 | C16 | C15 | H2 | 171.1° | 7.5° |
| C17 | C16 | C15 | H3 | 52.3° | 113.0° |
| C16 | C17 | H4 | H5 | 118.2° | 120.0° |
| C17 | C16 | H27 | H28 | 118.1° | 120.0° |
| C31 | S30 | N29 | C28 | 90.9° | 47.7° |
| C31 | S30 | N29 | C42 | 60.5° | 132.3° |
| S30 | C31 | C39 | C38 | 179.8° | 179.7° |
| S30 | C31 | C32 | H37 | 0.1° | 0.3° |
| S30 | C31 | C39 | H46 | 0.2° | 0.3° |
| N29 | S30 | C31 | C39 | 13.7° | 90.0° |
| S30 | N29 | C28 | C27 | 106.9° | 60.0° |
| S30 | N29 | C28 | C42 | 150.8° | 180.0° |
| S30 | N29 | C42 | C02 | 179.5° | 64.5° |
| S30 | N29 | C28 | H15 | 13.3° | 59.7° |
| S30 | N29 | C28 | H16 | 132.7° | 179.7° |
| S30 | N29 | C42 | H47 | 58.5° | 175.8° |
| S30 | N29 | C42 | H48 | 59.6° | 55.3° |
| C33 | C34 | N35 | C37 | 50.5° | 0.0° |
| C33 | C34 | N35 | C38 | 179.8° | 179.9° |
| C33 | C34 | N35 | C36 | 129.5° | 180.0° |
| C33 | C34 | C38 | C39 | 0.4° | 0.1° |
| C34 | C33 | C32 | H37 | 179.9° | 180.0° |
| C33 | C34 | C38 | H45 | 179.7° | 180.0° |
| C31 | C39 | C38 | C34 | 0.7° | 0.1° |
| C31 | C39 | C38 | H46 | 180.0° | 179.9° |
| C39 | C31 | C32 | H37 | 179.5° | 180.0° |
| C31 | C39 | C38 | H45 | 179.3° | 180.0° |
| C37 | N35 | C34 | C36 | 180.0° | 180.0° |
| C37 | N35 | C34 | C38 | 129.3° | 180.0° |
| C37 | N35 | C36 | H39 | 180.0° | 90.0° |
| C37 | N35 | C36 | H40 | 60.0° | 30.0° |
| C37 | N35 | C36 | H41 | 60.0° | 150.0° |
| N35 | C37 | H42 | H43 | 120.0° | 120.0° |
| N35 | C37 | H42 | H44 | 120.0° | 120.0° |
| N35 | C37 | H43 | H44 | 119.9° | 120.0° |
| C16 | C15 | N04 | H2 | 120.6° | 119.7° |
| C16 | C15 | N04 | H3 | 120.6° | 119.8° |
| C16 | C15 | N04 | S05 | 166.9° | 59.6° |
| C16 | C15 | N04 | C03 | 51.6° | 120.4° |
| C16 | C15 | H2 | H3 | 118.2° | 120.5° |
| C15 | C16 | C17 | H4 | 68.5° | 105.6° |
| C15 | C16 | C17 | H5 | 50.2° | 14.4° |
| C15 | C16 | H27 | H28 | 118.1° | 120.1° |
| C27 | C28 | N29 | H15 | 120.3° | 119.7° |
| C27 | C28 | N29 | H16 | 120.3° | 119.8° |
| C27 | C28 | N29 | C42 | 102.3° | 120.1° |
| C28 | C27 | C26 | H13 | 10.0° | 15.0° |
| C28 | C27 | C26 | H14 | 108.6° | 105.0° |
| C27 | C28 | H15 | H16 | 119.1° | 120.4° |
| C28 | C27 | H35 | H36 | 118.6° | 120.0° |
| C28 | N29 | C42 | C02 | 29.8° | 115.5° |
| N29 | C28 | H15 | H16 | 119.1° | 120.6° |
| N29 | C28 | C27 | H35 | 177.8° | 7.0° |
| N29 | C28 | C27 | H36 | 58.7° | 113.0° |
| C28 | N29 | C42 | H47 | 150.8° | 4.2° |
| C28 | N29 | C42 | H48 | 91.1° | 124.7° |
| N29 | C42 | C02 | H47 | 121.0° | 119.7° |
| N29 | C42 | C02 | H48 | 121.0° | 119.9° |
| N29 | C42 | C02 | C03 | 80.6° | 133.5° |
| N29 | C42 | C02 | C01 | 100.8° | 46.6° |
| C42 | N29 | C28 | H15 | 137.5° | 120.3° |
| C42 | N29 | C28 | H16 | 18.0° | 0.3° |
| N29 | C42 | H47 | H48 | 116.9° | 120.6° |
| N35 | C34 | C38 | C39 | 179.4° | 180.0° |
| N35 | C34 | C33 | H38 | 0.3° | 0.0° |
| C34 | N35 | C36 | H39 | 0.0° | 90.0° |
| C34 | N35 | C36 | H40 | 120.0° | 150.0° |
| C34 | N35 | C36 | H41 | 120.0° | 30.0° |
| C34 | N35 | C37 | H42 | 180.0° | 90.0° |
| C34 | N35 | C37 | H43 | 60.0° | 150.0° |
| C34 | N35 | C37 | H44 | 60.0° | 30.0° |
| N35 | C34 | C38 | H45 | 0.5° | 0.1° |
| C38 | C34 | N35 | C36 | 50.7° | 0.1° |
| C34 | C38 | C39 | H45 | 180.0° | 179.9° |
| C38 | C34 | C33 | H38 | 179.9° | 180.0° |
| C34 | C38 | C39 | H46 | 179.3° | 180.0° |
| C15 | N04 | S05 | O06 | 6.5° | 156.8° |
| C15 | N04 | S05 | C03 | 141.3° | 180.0° |
| C15 | N04 | S05 | O14 | 118.8° | 70.3° |
| C15 | N04 | S05 | C07 | 114.9° | 43.3° |
| C15 | N04 | C03 | C02 | 146.4° | 115.6° |
| N04 | C15 | H2 | H3 | 118.2° | 120.4° |
| C15 | N04 | C03 | H19 | 26.1° | 124.7° |
| C15 | N04 | C03 | H20 | 93.3° | 4.1° |
| N04 | C15 | C16 | H27 | 52.3° | 7.3° |
| N04 | C15 | C16 | H28 | 171.1° | 112.8° |
| N35 | C36 | H39 | H40 | 120.0° | 120.0° |
| N35 | C36 | H39 | H41 | 120.0° | 120.0° |
| N35 | C36 | H40 | H41 | 120.0° | 120.0° |
| C36 | N35 | C37 | H42 | 0.0° | 90.0° |
| C36 | N35 | C37 | H43 | 120.1° | 30.0° |
| C36 | N35 | C37 | H44 | 120.0° | 150.0° |
| O06 | S05 | N04 | O14 | 112.3° | 132.9° |
| O06 | S05 | N04 | C07 | 121.4° | 113.5° |
| O06 | S05 | N04 | C03 | 147.8° | 23.2° |
| O06 | S05 | O14 | C07 | 116.5° | 123.0° |
| O06 | S05 | C07 | C13 | 38.1° | 151.0° |
| O06 | S05 | C07 | C08 | 141.3° | 29.1° |
| C42 | C02 | C03 | N04 | 27.4° | 133.5° |
| C42 | C02 | C03 | C01 | 178.5° | 179.9° |
| C42 | C02 | C01 | H17 | 178.5° | 7.7° |
| C42 | C02 | C01 | H18 | 1.5° | 172.3° |
| C42 | C02 | C03 | H19 | 92.9° | 106.8° |
| C42 | C02 | C03 | H20 | 147.7° | 13.8° |
| C02 | C42 | H47 | H48 | 116.9° | 120.4° |
| N04 | S05 | O14 | C07 | 125.1° | 114.1° |
| S05 | N04 | C03 | C02 | 73.0° | 64.4° |
| N04 | S05 | C07 | C13 | 84.2° | 95.4° |
| N04 | S05 | C07 | C08 | 96.3° | 84.4° |
| S05 | N04 | C15 | H2 | 72.5° | 179.4° |
| S05 | N04 | C15 | H3 | 46.3° | 60.2° |
| S05 | N04 | C03 | H19 | 166.7° | 55.2° |
| S05 | N04 | C03 | H20 | 47.3° | 175.9° |
| C03 | N04 | S05 | O14 | 99.9° | 109.8° |
| C03 | N04 | S05 | C07 | 26.4° | 136.7° |
| N04 | C03 | C02 | H19 | 120.3° | 119.7° |
| N04 | C03 | C02 | H20 | 120.3° | 119.7° |
| N04 | C03 | C02 | C01 | 151.1° | 46.6° |
| C03 | N04 | C15 | H2 | 69.0° | 0.7° |
| C03 | N04 | C15 | H3 | 172.2° | 119.7° |
| N04 | C03 | H19 | H20 | 119.1° | 120.5° |
| O14 | S05 | C07 | C13 | 149.4° | 18.1° |
| O14 | S05 | C07 | C08 | 30.0° | 162.1° |
| S05 | C07 | C13 | C08 | 179.5° | 179.8° |
| S05 | C07 | C13 | C12 | 179.8° | 180.0° |
| S05 | C07 | C08 | C09 | 179.9° | 180.0° |
| S05 | C07 | C13 | H1 | 0.2° | 0.0° |
| S05 | C07 | C08 | H21 | 0.2° | 0.2° |
| C03 | C02 | C01 | H17 | 0.0° | 172.4° |
| C03 | C02 | C01 | H18 | 180.0° | 7.6° |
| C02 | C03 | H19 | H20 | 119.1° | 120.5° |
| C03 | C02 | C42 | H47 | 40.3° | 13.8° |
| C03 | C02 | C42 | H48 | 158.4° | 106.6° |
| C02 | C01 | H17 | H18 | 180.0° | 179.9° |
| C01 | C02 | C03 | H19 | 88.6° | 73.1° |
| C01 | C02 | C03 | H20 | 30.8° | 166.3° |
| C01 | C02 | C42 | H47 | 138.2° | 166.3° |
| C01 | C02 | C42 | H48 | 20.1° | 73.3° |
| C07 | C13 | C12 | H1 | 180.0° | 179.9° |
| C13 | C07 | C08 | C09 | 0.4° | 0.2° |
| C07 | C13 | C12 | C10 | 0.1° | 0.1° |
| C13 | C07 | C08 | H21 | 179.6° | 180.0° |
| C07 | C13 | C12 | H26 | 179.9° | 180.0° |
| C08 | C07 | C13 | C12 | 0.3° | 0.1° |
| C07 | C08 | C09 | H21 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.2° | 0.1° |
| C08 | C07 | C13 | H1 | 179.7° | 179.8° |
| C07 | C08 | C09 | H22 | 179.8° | 179.9° |
| C13 | C12 | C10 | H26 | 180.0° | 179.9° |
| C13 | C12 | C10 | C09 | 0.1° | 0.3° |
| C13 | C12 | C10 | C11 | 179.9° | 180.0° |
| C08 | C09 | C10 | C12 | 0.0° | 0.3° |
| C08 | C09 | C10 | H22 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 180.0° | 180.0° |
| C12 | C10 | C09 | C11 | 180.0° | 179.7° |
| C10 | C12 | C13 | H1 | 179.9° | 180.0° |
| C12 | C10 | C09 | H22 | 180.0° | 179.7° |
| C12 | C10 | C11 | H23 | 90.1° | 89.7° |
| C12 | C10 | C11 | H24 | 150.0° | 30.3° |
| C12 | C10 | C11 | H25 | 30.0° | 150.3° |
| C10 | C09 | C08 | H21 | 179.8° | 179.7° |
| C09 | C10 | C11 | H23 | 90.0° | 90.0° |
| C09 | C10 | C11 | H24 | 30.0° | 150.0° |
| C09 | C10 | C11 | H25 | 150.0° | 30.1° |
| C09 | C10 | C12 | H26 | 180.0° | 179.7° |
| C11 | C10 | C09 | H22 | 0.0° | 0.0° |
| C10 | C11 | H23 | H24 | 120.0° | 119.9° |
| C10 | C11 | H23 | H25 | 120.0° | 120.0° |
| C10 | C11 | H24 | H25 | 120.0° | 119.9° |
| C11 | C10 | C12 | H26 | 0.1° | 0.1° |
| H1 | C13 | C12 | H26 | 0.1° | 0.0° |
| H2 | C15 | C16 | H27 | 68.3° | 112.5° |
| H2 | C15 | C16 | H28 | 50.5° | 127.5° |
| H3 | C15 | C16 | H27 | 172.9° | 127.1° |
| H3 | C15 | C16 | H28 | 68.3° | 7.0° |
| H4 | C17 | C16 | H27 | 170.9° | 134.4° |
| H4 | C17 | C16 | H28 | 52.1° | 14.4° |
| H5 | C17 | C16 | H27 | 70.3° | 105.6° |
| H5 | C17 | C16 | H28 | 170.9° | 134.4° |
| H6 | C20 | C21 | H7 | 50.2° | 179.9° |
| H6 | C20 | C21 | H8 | 169.3° | 60.0° |
| H6 | C20 | C19 | H29 | 135.7° | 60.5° |
| H6 | C20 | C19 | H30 | 104.2° | 179.6° |
| H6 | C20 | C25 | H33 | 171.9° | 60.0° |
| H6 | C20 | C25 | H34 | 52.6° | 180.0° |
| H7 | C21 | C22 | H9 | 50.4° | 60.0° |
| H7 | C21 | C22 | H10 | 68.6° | 180.0° |
| H8 | C21 | C22 | H9 | 169.5° | 60.0° |
| H8 | C21 | C22 | H10 | 50.5° | 60.0° |
| H9 | C22 | C23 | H31 | 52.4° | 60.0° |
| H9 | C22 | C23 | H32 | 171.8° | 60.0° |
| H10 | C22 | C23 | H31 | 66.6° | 180.0° |
| H10 | C22 | C23 | H32 | 52.7° | 60.0° |
| H11 | C24 | C23 | H31 | 64.7° | 60.0° |
| H11 | C24 | C23 | H32 | 54.6° | 60.1° |
| H11 | C24 | C25 | H33 | 55.1° | 59.9° |
| H11 | C24 | C25 | H34 | 64.2° | 60.0° |
| H12 | C24 | C23 | H31 | 54.7° | 179.9° |
| H12 | C24 | C23 | H32 | 174.1° | 60.0° |
| H12 | C24 | C25 | H33 | 174.5° | 60.0° |
| H12 | C24 | C25 | H34 | 55.2° | 180.0° |
| H13 | C26 | C27 | H35 | 130.5° | 105.0° |
| H13 | C26 | C27 | H36 | 110.4° | 135.0° |
| H14 | C26 | C27 | H35 | 11.8° | 135.0° |
| H14 | C26 | C27 | H36 | 130.9° | 15.0° |
| H15 | C28 | C27 | H35 | 61.9° | 126.8° |
| H15 | C28 | C27 | H36 | 179.0° | 6.7° |
| H16 | C28 | C27 | H35 | 57.4° | 112.8° |
| H16 | C28 | C27 | H36 | 61.6° | 127.1° |
| H21 | C08 | C09 | H22 | 0.2° | 0.2° |
| H23 | C11 | H24 | H25 | 120.0° | 120.1° |
| H37 | C32 | C33 | H38 | 0.1° | 0.0° |
| H39 | C36 | H40 | H41 | 120.0° | 120.0° |
| H42 | C37 | H43 | H44 | 120.0° | 120.0° |
| H45 | C38 | C39 | H46 | 0.7° | 0.1° |
