ZYG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C3 | sing | 1.36Å | 1.26Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | sing | 1.48Å | 1.40Å | |
| C10 | N11 | doub | 1.30Å | 1.28Å | |
| C10 | O14 | sing | 1.35Å | 1.23Å | |
| N11 | C12 | sing | 1.48Å | 1.38Å | |
| C12 | C13 | sing | 1.55Å | 1.55Å | |
| C12 | C15 | sing | 1.51Å | 1.46Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | O14 | sing | 1.44Å | 1.33Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | N17 | sing | 1.35Å | 1.30Å | |
| N17 | C18 | sing | 1.47Å | 1.41Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | C39 | sing | 1.53Å | 1.56Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| C19 | O21 | sing | 1.43Å | 1.44Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O20 | H521 | sing | 0.97Å | 0.95Å | |
| O21 | C22 | sing | 1.43Å | 1.45Å | |
| C22 | C25 | sing | 1.53Å | 1.56Å | |
| C22 | C56 | sing | 1.53Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | C27 | sing | 1.51Å | 1.45Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | O28 | doub | 1.21Å | 1.22Å | |
| C27 | N29 | sing | 1.35Å | 1.29Å | |
| N29 | C30 | sing | 1.47Å | 1.41Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| C30 | C37 | sing | 1.51Å | 1.46Å | |
| C31 | C32 | sing | 1.52Å | 1.57Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.52Å | 1.55Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | N35 | sing | 1.47Å | 1.41Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| N35 | O36 | sing | 1.42Å | 1.27Å | |
| N35 | C37 | sing | 1.33Å | 1.30Å | |
| O36 | HO36 | sing | 0.97Å | 0.95Å | |
| C37 | O38 | doub | 1.21Å | 1.23Å | |
| C39 | C40 | sing | 1.53Å | 1.56Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.56Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | N43 | sing | 1.47Å | 1.41Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| N43 | O44 | sing | 1.42Å | 1.28Å | |
| N43 | C45 | sing | 1.35Å | 1.32Å | |
| O44 | HO44 | sing | 0.97Å | 0.95Å | |
| C45 | O46 | doub | 1.21Å | 1.23Å | |
| C45 | C47 | sing | 1.51Å | 1.47Å | |
| C47 | C48 | sing | 1.53Å | 1.55Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C48 | C49 | sing | 1.53Å | 1.55Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.55Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | C51 | sing | 1.53Å | 1.55Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.55Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| O51 | C54 | sing | 1.34Å | 1.23Å | |
| O51 | H531 | sing | 0.97Å | 0.95Å | |
| C52 | C53 | sing | 1.53Å | 1.55Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| O52 | C54 | doub | 1.21Å | 1.22Å | |
| C53 | C54 | sing | 1.51Å | 1.45Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C56 | H56B | sing | 1.09Å | 1.10Å | |
| C30 | H522 | sing | 1.09Å | 1.10Å | |
| C31 | H532 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C3 | C4 | 117.4° | 120.1° |
| O2 | C3 | C8 | 122.1° | 120.2° |
| C4 | C3 | C8 | 120.6° | 119.7° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C3 | C8 | C7 | 117.7° | 119.6° |
| C3 | C8 | C10 | 122.2° | 120.2° |
| C5 | C4 | H4 | 119.8° | 119.9° |
| C4 | C5 | C6 | 120.0° | 120.3° |
| C4 | C5 | H5 | 120.0° | 119.8° |
| C6 | C5 | H5 | 120.0° | 119.9° |
| C5 | C6 | C7 | 119.9° | 120.3° |
| C5 | C6 | H6 | 120.1° | 119.8° |
| C7 | C6 | H6 | 120.0° | 119.9° |
| C6 | C7 | C8 | 121.4° | 120.0° |
| C6 | C7 | H7 | 119.3° | 120.0° |
| C8 | C7 | H7 | 119.3° | 120.0° |
| C7 | C8 | C10 | 120.2° | 120.2° |
| C8 | C10 | N11 | 124.6° | 123.1° |
| C8 | C10 | O14 | 124.8° | 123.1° |
| N11 | C10 | O14 | 110.6° | 113.8° |
| C10 | N11 | C12 | 112.6° | 108.4° |
| C10 | O14 | C13 | 114.8° | 107.6° |
| N11 | C12 | C13 | 99.6° | 102.0° |
| N11 | C12 | C15 | 109.9° | 110.9° |
| N11 | C12 | H12 | 119.3° | 110.9° |
| C13 | C12 | C15 | 119.1° | 110.9° |
| C13 | C12 | H12 | 110.1° | 110.9° |
| C12 | C13 | O14 | 102.4° | 101.3° |
| C12 | C13 | H13 | 111.9° | 111.1° |
| C12 | C13 | H13A | 111.9° | 111.1° |
| C15 | C12 | H12 | 99.9° | 110.9° |
| C12 | C15 | O16 | 117.0° | 120.0° |
| C12 | C15 | N17 | 121.7° | 120.0° |
| O14 | C13 | H13 | 111.9° | 111.3° |
| O14 | C13 | H13A | 111.9° | 110.9° |
| H13 | C13 | H13A | 106.9° | 110.9° |
| O16 | C15 | N17 | 121.2° | 120.0° |
| C15 | N17 | C18 | 127.9° | 120.0° |
| C15 | N17 | HN17 | 116.1° | 120.0° |
| C18 | N17 | HN17 | 116.0° | 120.0° |
| N17 | C18 | C19 | 106.9° | 109.5° |
| N17 | C18 | C39 | 110.8° | 109.4° |
| N17 | C18 | H18 | 111.9° | 109.5° |
| C19 | C18 | C39 | 113.8° | 109.5° |
| C19 | C18 | H18 | 108.8° | 109.5° |
| C18 | C19 | O20 | 110.5° | 109.4° |
| C18 | C19 | O21 | 115.7° | 109.5° |
| C18 | C19 | H19 | 103.3° | 109.5° |
| C39 | C18 | H18 | 104.7° | 109.5° |
| C18 | C39 | C40 | 113.6° | 109.5° |
| C18 | C39 | H39 | 108.1° | 109.5° |
| C18 | C39 | H39A | 108.1° | 109.4° |
| O20 | C19 | O21 | 106.0° | 109.5° |
| O20 | C19 | H19 | 113.4° | 109.5° |
| C19 | O20 | H521 | 109.5° | 114.0° |
| O21 | C19 | H19 | 108.0° | 109.5° |
| C19 | O21 | C22 | 120.0° | 114.0° |
| O21 | C22 | C25 | 114.8° | 109.5° |
| O21 | C22 | C56 | 104.8° | 109.5° |
| O21 | C22 | H22 | 109.3° | 109.4° |
| C25 | C22 | C56 | 109.7° | 109.5° |
| C25 | C22 | H22 | 104.3° | 109.5° |
| C22 | C25 | C27 | 115.9° | 109.5° |
| C22 | C25 | H25 | 107.4° | 109.4° |
| C22 | C25 | H25A | 107.4° | 109.5° |
| C56 | C22 | H22 | 114.3° | 109.4° |
| C22 | C56 | H56 | 109.5° | 109.5° |
| C22 | C56 | H56A | 109.5° | 109.5° |
| C22 | C56 | H56B | 109.4° | 109.4° |
| C27 | C25 | H25 | 107.4° | 109.5° |
| C27 | C25 | H25A | 107.4° | 109.5° |
| C25 | C27 | O28 | 120.7° | 120.0° |
| C25 | C27 | N29 | 119.9° | 120.0° |
| H25 | C25 | H25A | 111.4° | 109.5° |
| O28 | C27 | N29 | 119.4° | 120.0° |
| C27 | N29 | C30 | 125.5° | 119.9° |
| C27 | N29 | HN29 | 117.3° | 120.0° |
| C30 | N29 | HN29 | 117.3° | 120.0° |
| N29 | C30 | C31 | 112.7° | 109.6° |
| N29 | C30 | C37 | 109.8° | 109.6° |
| N29 | C30 | H522 | 107.3° | 109.7° |
| C31 | C30 | C37 | 110.2° | 108.5° |
| C30 | C31 | C32 | 118.5° | 110.7° |
| C30 | C31 | H31 | 106.6° | 109.2° |
| C31 | C30 | H522 | 106.8° | 109.6° |
| C30 | C31 | H532 | 106.6° | 109.2° |
| C30 | C37 | N35 | 121.0° | 120.2° |
| C30 | C37 | O38 | 121.3° | 119.9° |
| C37 | C30 | H522 | 110.0° | 109.8° |
| C32 | C31 | H31 | 106.6° | 109.2° |
| C31 | C32 | C33 | 117.8° | 113.9° |
| C31 | C32 | H32 | 106.8° | 108.6° |
| C31 | C32 | H32A | 106.8° | 108.6° |
| C32 | C31 | H532 | 106.6° | 109.2° |
| H31 | C31 | H532 | 112.2° | 109.2° |
| C33 | C32 | H32 | 106.8° | 108.6° |
| C33 | C32 | H32A | 106.8° | 108.6° |
| C32 | C33 | C34 | 113.4° | 110.9° |
| C32 | C33 | H33 | 108.2° | 109.2° |
| C32 | C33 | H33A | 108.2° | 109.3° |
| H32 | C32 | H32A | 112.0° | 108.4° |
| C34 | C33 | H33 | 108.2° | 109.2° |
| C34 | C33 | H33A | 108.2° | 109.2° |
| C33 | C34 | N35 | 114.0° | 108.7° |
| C33 | C34 | H34 | 108.0° | 109.6° |
| C33 | C34 | H34A | 108.0° | 109.6° |
| H33 | C33 | H33A | 110.7° | 109.1° |
| N35 | C34 | H34 | 108.0° | 109.7° |
| N35 | C34 | H34A | 108.0° | 109.6° |
| C34 | N35 | O36 | 119.6° | 119.7° |
| C34 | N35 | C37 | 123.6° | 120.4° |
| H34 | C34 | H34A | 110.9° | 109.7° |
| O36 | N35 | C37 | 116.8° | 119.8° |
| N35 | O36 | HO36 | 109.5° | 114.0° |
| N35 | C37 | O38 | 117.7° | 119.8° |
| C40 | C39 | H39 | 108.1° | 109.5° |
| C40 | C39 | H39A | 108.1° | 109.5° |
| C39 | C40 | C41 | 113.9° | 109.4° |
| C39 | C40 | H40 | 108.0° | 109.4° |
| C39 | C40 | H40A | 108.0° | 109.4° |
| H39 | C39 | H39A | 110.8° | 109.4° |
| C41 | C40 | H40 | 108.0° | 109.5° |
| C41 | C40 | H40A | 108.0° | 109.5° |
| C40 | C41 | C42 | 112.9° | 109.4° |
| C40 | C41 | H41 | 108.4° | 109.5° |
| C40 | C41 | H41A | 108.4° | 109.4° |
| H40 | C40 | H40A | 110.9° | 109.5° |
| C42 | C41 | H41 | 108.3° | 109.5° |
| C42 | C41 | H41A | 108.3° | 109.4° |
| C41 | C42 | N43 | 113.9° | 109.5° |
| C41 | C42 | H42 | 108.0° | 109.5° |
| C41 | C42 | H42A | 108.0° | 109.5° |
| H41 | C41 | H41A | 110.6° | 109.5° |
| N43 | C42 | H42 | 108.0° | 109.5° |
| N43 | C42 | H42A | 108.0° | 109.5° |
| C42 | N43 | O44 | 116.1° | 120.0° |
| C42 | N43 | C45 | 126.1° | 120.0° |
| H42 | C42 | H42A | 110.9° | 109.4° |
| O44 | N43 | C45 | 117.7° | 120.0° |
| N43 | O44 | HO44 | 109.5° | 114.0° |
| N43 | C45 | O46 | 117.9° | 120.0° |
| N43 | C45 | C47 | 126.0° | 120.0° |
| O46 | C45 | C47 | 116.1° | 120.0° |
| C45 | C47 | C48 | 113.6° | 109.5° |
| C45 | C47 | H47 | 108.1° | 109.5° |
| C45 | C47 | H47A | 108.1° | 109.5° |
| C48 | C47 | H47 | 108.1° | 109.4° |
| C48 | C47 | H47A | 108.1° | 109.5° |
| C47 | C48 | C49 | 112.3° | 109.5° |
| C47 | C48 | H48 | 108.5° | 109.4° |
| C47 | C48 | H48A | 108.5° | 109.5° |
| H47 | C47 | H47A | 110.8° | 109.4° |
| C49 | C48 | H48 | 108.5° | 109.5° |
| C49 | C48 | H48A | 108.5° | 109.5° |
| C48 | C49 | C50 | 113.0° | 109.5° |
| C48 | C49 | H49 | 108.3° | 109.4° |
| C48 | C49 | H49A | 108.3° | 109.5° |
| H48 | C48 | H48A | 110.4° | 109.4° |
| C50 | C49 | H49 | 108.3° | 109.5° |
| C50 | C49 | H49A | 108.3° | 109.5° |
| C49 | C50 | C51 | 112.2° | 109.5° |
| C49 | C50 | H50 | 108.6° | 109.5° |
| C49 | C50 | H50A | 108.6° | 109.5° |
| H49 | C49 | H49A | 110.6° | 109.4° |
| C51 | C50 | H50 | 108.6° | 109.5° |
| C51 | C50 | H50A | 108.6° | 109.4° |
| C50 | C51 | C52 | 112.7° | 109.5° |
| C50 | C51 | H51 | 108.4° | 109.5° |
| C50 | C51 | H51A | 108.4° | 109.4° |
| H50 | C50 | H50A | 110.4° | 109.4° |
| C52 | C51 | H51 | 108.4° | 109.5° |
| C52 | C51 | H51A | 108.4° | 109.4° |
| C51 | C52 | C53 | 112.6° | 109.5° |
| C51 | C52 | H52 | 108.4° | 109.5° |
| C51 | C52 | H52A | 108.5° | 109.5° |
| H51 | C51 | H51A | 110.6° | 109.4° |
| C54 | O51 | H531 | 109.5° | 117.0° |
| O51 | C54 | O52 | 117.8° | 120.0° |
| O51 | C54 | C53 | 121.2° | 120.0° |
| C53 | C52 | H52 | 108.4° | 109.5° |
| C53 | C52 | H52A | 108.4° | 109.4° |
| C52 | C53 | C54 | 112.3° | 109.5° |
| C52 | C53 | H53 | 108.5° | 109.5° |
| C52 | C53 | H53A | 108.5° | 109.4° |
| H52 | C52 | H52A | 110.5° | 109.4° |
| O52 | C54 | C53 | 121.0° | 120.0° |
| C54 | C53 | H53 | 108.5° | 109.5° |
| C54 | C53 | H53A | 108.5° | 109.4° |
| H53 | C53 | H53A | 110.4° | 109.5° |
| H56 | C56 | H56A | 109.4° | 109.5° |
| H56 | C56 | H56B | 109.5° | 109.5° |
| H56A | C56 | H56B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C3 | C4 | C8 | 179.5° | 179.7° |
| O2 | C3 | C4 | C5 | 179.7° | 180.0° |
| O2 | C3 | C4 | H4 | 0.3° | 0.0° |
| O2 | C3 | C8 | C7 | 179.3° | 179.7° |
| O2 | C3 | C8 | C10 | 0.2° | 0.0° |
| HO2 | O2 | C3 | C4 | 180.0° | 90.0° |
| HO2 | O2 | C3 | C8 | 0.5° | 90.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C3 | C8 | C7 | 0.2° | 0.6° |
| C4 | C3 | C8 | C10 | 179.7° | 179.7° |
| C8 | C3 | C4 | C5 | 0.2° | 0.4° |
| C8 | C3 | C4 | H4 | 179.7° | 179.7° |
| C3 | C8 | C7 | C6 | 0.5° | 0.6° |
| C3 | C8 | C7 | C10 | 179.5° | 179.7° |
| C3 | C8 | C7 | H7 | 179.5° | 179.7° |
| C3 | C8 | C10 | N11 | 178.0° | 0.1° |
| C3 | C8 | C10 | O14 | 1.4° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.6° | 180.0° |
| H4 | C4 | C5 | H5 | 0.4° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.3° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| H5 | C5 | C6 | C7 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | C10 | 180.0° | 179.8° |
| H6 | C6 | C7 | C8 | 179.6° | 179.8° |
| H6 | C6 | C7 | H7 | 0.4° | 0.0° |
| C7 | C8 | C10 | N11 | 1.5° | 179.7° |
| C7 | C8 | C10 | O14 | 179.1° | 0.0° |
| H7 | C7 | C8 | C10 | 0.0° | 0.0° |
| C8 | C10 | N11 | O14 | 179.5° | 179.8° |
| C8 | C10 | N11 | C12 | 179.9° | 179.6° |
| C8 | C10 | O14 | C13 | 179.2° | 162.6° |
| C10 | N11 | C12 | C13 | 0.8° | 15.1° |
| C10 | N11 | C12 | C15 | 125.1° | 133.3° |
| C10 | N11 | C12 | H12 | 120.5° | 103.1° |
| N11 | C10 | O14 | C13 | 0.2° | 17.7° |
| O14 | C10 | N11 | C12 | 0.4° | 0.6° |
| C10 | O14 | C13 | C12 | 0.7° | 25.2° |
| C10 | O14 | C13 | H13 | 120.7° | 92.9° |
| C10 | O14 | C13 | H13A | 119.3° | 143.2° |
| N11 | C12 | C13 | C15 | 119.3° | 118.2° |
| N11 | C12 | C13 | H12 | 126.2° | 118.2° |
| N11 | C12 | C15 | H12 | 126.3° | 123.7° |
| N11 | C12 | C13 | O14 | 0.8° | 23.7° |
| N11 | C12 | C13 | H13 | 120.8° | 94.5° |
| N11 | C12 | C13 | H13A | 119.2° | 141.5° |
| N11 | C12 | C15 | O16 | 83.0° | 18.5° |
| N11 | C12 | C15 | N17 | 94.8° | 161.5° |
| C13 | C12 | C15 | H12 | 119.8° | 123.7° |
| C12 | C13 | O14 | H13 | 120.0° | 118.1° |
| C12 | C13 | O14 | H13A | 120.0° | 117.9° |
| C12 | C13 | H13 | H13A | 122.9° | 124.0° |
| C13 | C12 | C15 | O16 | 163.1° | 94.1° |
| C13 | C12 | C15 | N17 | 19.1° | 85.9° |
| C15 | C12 | C13 | O14 | 118.5° | 141.9° |
| C15 | C12 | C13 | H13 | 1.5° | 23.6° |
| C15 | C12 | C13 | H13A | 121.5° | 100.3° |
| C12 | C15 | O16 | N17 | 177.8° | 180.0° |
| C12 | C15 | N17 | C18 | 162.9° | 180.0° |
| C12 | C15 | N17 | HN17 | 17.1° | 0.1° |
| H12 | C12 | C13 | O14 | 127.0° | 94.4° |
| H12 | C12 | C13 | H13 | 113.0° | 147.3° |
| H12 | C12 | C13 | H13A | 7.0° | 23.4° |
| H12 | C12 | C15 | O16 | 43.2° | 142.2° |
| H12 | C12 | C15 | N17 | 138.9° | 37.8° |
| O14 | C13 | H13 | H13A | 122.9° | 123.9° |
| O16 | C15 | N17 | C18 | 19.3° | 0.1° |
| O16 | C15 | N17 | HN17 | 160.7° | 180.0° |
| C15 | N17 | C18 | HN17 | 180.0° | 179.9° |
| C15 | N17 | C18 | C19 | 129.8° | 59.9° |
| C15 | N17 | C18 | C39 | 105.7° | 60.1° |
| C15 | N17 | C18 | H18 | 10.8° | 180.0° |
| N17 | C18 | C19 | C39 | 122.7° | 120.0° |
| N17 | C18 | C19 | H18 | 121.0° | 120.0° |
| N17 | C18 | C39 | H18 | 120.8° | 120.0° |
| N17 | C18 | C19 | O20 | 62.9° | 180.0° |
| N17 | C18 | C19 | O21 | 176.6° | 60.0° |
| N17 | C18 | C19 | H19 | 58.7° | 60.0° |
| N17 | C18 | C39 | C40 | 55.7° | 65.0° |
| N17 | C18 | C39 | H39 | 64.3° | 55.0° |
| N17 | C18 | C39 | H39A | 175.7° | 175.0° |
| HN17 | N17 | C18 | C19 | 50.2° | 120.0° |
| HN17 | N17 | C18 | C39 | 74.3° | 120.0° |
| HN17 | N17 | C18 | H18 | 169.2° | 0.0° |
| C19 | C18 | C39 | H18 | 118.7° | 120.0° |
| C18 | C19 | O20 | O21 | 126.1° | 120.0° |
| C18 | C19 | O20 | H19 | 115.5° | 120.0° |
| C18 | C19 | O21 | H19 | 115.2° | 120.0° |
| C18 | C19 | O20 | H521 | 180.0° | 60.0° |
| C18 | C19 | O21 | C22 | 71.0° | 170.0° |
| C19 | C18 | C39 | C40 | 176.2° | 175.0° |
| C19 | C18 | C39 | H39 | 56.2° | 64.9° |
| C19 | C18 | C39 | H39A | 63.8° | 55.0° |
| C39 | C18 | C19 | O20 | 59.7° | 60.0° |
| C39 | C18 | C19 | O21 | 60.8° | 180.0° |
| C39 | C18 | C19 | H19 | 178.6° | 60.0° |
| C18 | C39 | C40 | H39 | 120.0° | 120.0° |
| C18 | C39 | C40 | H39A | 120.0° | 120.0° |
| C18 | C39 | H39 | H39A | 118.3° | 119.9° |
| C18 | C39 | C40 | C41 | 177.1° | 180.0° |
| C18 | C39 | C40 | H40 | 57.1° | 60.0° |
| C18 | C39 | C40 | H40A | 62.9° | 60.0° |
| H18 | C18 | C19 | O20 | 176.1° | 60.0° |
| H18 | C18 | C19 | O21 | 55.6° | 60.0° |
| H18 | C18 | C19 | H19 | 62.3° | NaN° |
| H18 | C18 | C39 | C40 | 65.2° | 55.0° |
| H18 | C18 | C39 | H39 | 174.9° | 175.0° |
| H18 | C18 | C39 | H39A | 54.9° | 65.0° |
| O20 | C19 | O21 | H19 | 121.9° | 120.0° |
| O20 | C19 | O21 | C22 | 166.1° | 70.0° |
| O21 | C19 | O20 | H521 | 53.9° | 60.0° |
| C19 | O21 | C22 | C25 | 72.6° | 150.0° |
| C19 | O21 | C22 | C56 | 167.0° | 90.0° |
| C19 | O21 | C22 | H22 | 44.1° | 29.9° |
| H19 | C19 | O20 | H521 | 64.5° | 180.0° |
| H19 | C19 | O21 | C22 | 44.2° | 50.0° |
| O21 | C22 | C25 | C56 | 117.6° | 120.0° |
| O21 | C22 | C25 | H22 | 119.5° | 120.0° |
| O21 | C22 | C56 | H22 | 119.6° | 119.9° |
| O21 | C22 | C25 | C27 | 80.5° | 65.1° |
| O21 | C22 | C25 | H25 | 159.5° | 175.0° |
| O21 | C22 | C25 | H25A | 39.5° | 55.0° |
| O21 | C22 | C56 | H56 | 180.0° | 180.0° |
| O21 | C22 | C56 | H56A | 60.0° | 59.9° |
| O21 | C22 | C56 | H56B | 60.0° | 60.0° |
| C25 | C22 | C56 | H22 | 116.7° | 120.1° |
| C22 | C25 | C27 | H25 | 120.0° | 120.0° |
| C22 | C25 | C27 | H25A | 120.0° | 120.0° |
| C22 | C25 | H25 | H25A | 117.4° | 120.0° |
| C22 | C25 | C27 | O28 | 59.0° | 0.1° |
| C22 | C25 | C27 | N29 | 122.1° | 180.0° |
| C25 | C22 | C56 | H56 | 56.3° | 60.0° |
| C25 | C22 | C56 | H56A | 176.3° | 179.9° |
| C25 | C22 | C56 | H56B | 63.7° | 60.0° |
| C56 | C22 | C25 | C27 | 161.9° | 175.0° |
| C56 | C22 | C25 | H25 | 41.9° | 55.0° |
| C56 | C22 | C25 | H25A | 78.1° | 65.0° |
| C22 | C56 | H56 | H56A | 120.0° | 120.1° |
| C22 | C56 | H56 | H56B | 120.0° | 120.0° |
| C22 | C56 | H56A | H56B | 120.0° | 119.9° |
| H22 | C22 | C25 | C27 | 39.0° | 54.9° |
| H22 | C22 | C25 | H25 | 81.0° | 65.0° |
| H22 | C22 | C25 | H25A | 159.0° | 175.0° |
| H22 | C22 | C56 | H56 | 60.4° | 60.1° |
| H22 | C22 | C56 | H56A | 59.6° | 60.0° |
| H22 | C22 | C56 | H56B | 179.6° | 179.9° |
| C27 | C25 | H25 | H25A | 117.3° | 120.0° |
| C25 | C27 | O28 | N29 | 178.9° | 179.9° |
| C25 | C27 | N29 | C30 | 102.4° | 180.0° |
| C25 | C27 | N29 | HN29 | 77.6° | 0.1° |
| H25 | C25 | C27 | O28 | 61.0° | 120.0° |
| H25 | C25 | C27 | N29 | 117.9° | 60.1° |
| H25A | C25 | C27 | O28 | 179.1° | 119.9° |
| H25A | C25 | C27 | N29 | 2.1° | 60.0° |
| O28 | C27 | N29 | C30 | 76.5° | 0.1° |
| O28 | C27 | N29 | HN29 | 103.5° | 180.0° |
| C27 | N29 | C30 | HN29 | 180.0° | 179.9° |
| C27 | N29 | C30 | C31 | 57.0° | 163.4° |
| C27 | N29 | C30 | C37 | 179.8° | 77.7° |
| C27 | N29 | C30 | H522 | 60.4° | 43.0° |
| N29 | C30 | C31 | C37 | 123.0° | 119.7° |
| N29 | C30 | C31 | H522 | 117.6° | 120.5° |
| N29 | C30 | C37 | H522 | 117.8° | 120.6° |
| N29 | C30 | C31 | C32 | 175.9° | 34.8° |
| N29 | C30 | C31 | H31 | 64.1° | 155.0° |
| N29 | C30 | C37 | N35 | 151.4° | 48.4° |
| N29 | C30 | C37 | O38 | 30.1° | 131.6° |
| N29 | C30 | C31 | H532 | 55.9° | 85.6° |
| HN29 | N29 | C30 | C31 | 123.0° | 16.5° |
| HN29 | N29 | C30 | C37 | 0.2° | 102.4° |
| HN29 | N29 | C30 | H522 | 119.6° | 136.9° |
| C31 | C30 | C37 | H522 | 117.5° | 119.8° |
| C30 | C31 | C32 | H31 | 120.0° | 120.3° |
| C30 | C31 | C32 | H532 | 120.0° | 120.3° |
| C30 | C31 | H31 | H532 | 116.3° | 119.4° |
| C30 | C31 | C32 | C33 | 11.2° | 66.8° |
| C30 | C31 | C32 | H32 | 131.2° | 172.0° |
| C30 | C31 | C32 | H32A | 108.8° | 54.4° |
| C31 | C30 | C37 | N35 | 83.9° | 71.2° |
| C31 | C30 | C37 | O38 | 94.6° | 108.8° |
| C37 | C30 | C31 | C32 | 52.9° | 84.9° |
| C37 | C30 | C31 | H31 | 172.9° | 35.4° |
| C30 | C37 | N35 | C34 | 70.1° | 0.3° |
| C30 | C37 | N35 | O36 | 112.1° | 179.7° |
| C30 | C37 | N35 | O38 | 178.5° | 180.0° |
| C37 | C30 | C31 | H532 | 67.1° | 154.8° |
| C32 | C31 | H31 | H532 | 116.3° | 119.4° |
| C31 | C32 | C33 | H32 | 120.0° | 121.2° |
| C31 | C32 | C33 | H32A | 120.0° | 121.1° |
| C31 | C32 | H32 | H32A | 116.6° | 117.8° |
| C31 | C32 | C33 | C34 | 68.2° | 67.0° |
| C31 | C32 | C33 | H33 | 51.7° | 53.4° |
| C31 | C32 | C33 | H33A | 171.8° | 172.6° |
| C32 | C31 | C30 | H522 | 66.5° | 155.2° |
| H31 | C31 | C32 | C33 | 108.8° | 53.5° |
| H31 | C31 | C32 | H32 | 11.2° | 67.6° |
| H31 | C31 | C32 | H32A | 131.2° | 174.7° |
| H31 | C31 | C30 | H522 | 53.5° | 84.5° |
| C33 | C32 | H32 | H32A | 116.6° | 117.9° |
| C32 | C33 | C34 | H33 | 120.0° | 120.3° |
| C32 | C33 | C34 | H33A | 120.0° | 120.5° |
| C32 | C33 | H33 | H33A | 118.4° | 119.3° |
| C32 | C33 | C34 | N35 | 71.6° | 86.4° |
| C32 | C33 | C34 | H34 | 168.4° | 153.8° |
| C32 | C33 | C34 | H34A | 48.4° | 33.3° |
| C33 | C32 | C31 | H532 | 131.2° | 172.9° |
| H32 | C32 | C33 | C34 | 171.8° | 171.9° |
| H32 | C32 | C33 | H33 | 68.2° | 67.8° |
| H32 | C32 | C33 | H33A | 51.8° | 51.5° |
| H32 | C32 | C31 | H532 | 108.8° | 51.7° |
| H32A | C32 | C33 | C34 | 51.7° | 54.2° |
| H32A | C32 | C33 | H33 | 171.7° | 174.5° |
| H32A | C32 | C33 | H33A | 68.3° | 66.2° |
| H32A | C32 | C31 | H532 | 11.2° | 65.9° |
| C34 | C33 | H33 | H33A | 118.4° | 119.3° |
| C33 | C34 | N35 | H34 | 120.0° | 119.8° |
| C33 | C34 | N35 | H34A | 120.0° | 119.7° |
| C33 | C34 | H34 | H34A | 118.2° | 120.3° |
| C33 | C34 | N35 | O36 | 125.8° | 108.1° |
| C33 | C34 | N35 | C37 | 56.4° | 71.9° |
| H33 | C33 | C34 | N35 | 48.4° | 33.9° |
| H33 | C33 | C34 | H34 | 71.6° | 85.9° |
| H33 | C33 | C34 | H34A | 168.4° | 153.7° |
| H33A | C33 | C34 | N35 | 168.4° | 153.2° |
| H33A | C33 | C34 | H34 | 48.4° | 33.3° |
| H33A | C33 | C34 | H34A | 71.6° | 87.1° |
| N35 | C34 | H34 | H34A | 118.1° | 120.4° |
| C34 | N35 | O36 | C37 | 177.9° | 180.0° |
| C34 | N35 | O36 | HO36 | 149.0° | 180.0° |
| C34 | N35 | C37 | O38 | 108.4° | 179.7° |
| H34 | C34 | N35 | O36 | 5.9° | 11.7° |
| H34 | C34 | N35 | C37 | 176.4° | 168.2° |
| H34A | C34 | N35 | O36 | 114.1° | 132.2° |
| H34A | C34 | N35 | C37 | 63.6° | 47.8° |
| O36 | N35 | C37 | O38 | 69.4° | 0.3° |
| C37 | N35 | O36 | HO36 | 28.9° | 0.0° |
| N35 | C37 | C30 | H522 | 33.6° | 169.0° |
| O38 | C37 | C30 | H522 | 147.9° | 11.0° |
| C40 | C39 | H39 | H39A | 118.3° | 120.0° |
| C39 | C40 | C41 | H40 | 120.0° | 120.0° |
| C39 | C40 | C41 | H40A | 120.0° | 120.0° |
| C39 | C40 | H40 | H40A | 118.2° | 120.0° |
| C39 | C40 | C41 | C42 | 172.4° | 180.0° |
| C39 | C40 | C41 | H41 | 52.4° | 60.0° |
| C39 | C40 | C41 | H41A | 67.7° | 60.1° |
| H39 | C39 | C40 | C41 | 62.9° | 60.0° |
| H39 | C39 | C40 | H40 | 177.1° | 180.0° |
| H39 | C39 | C40 | H40A | 57.1° | 60.0° |
| H39A | C39 | C40 | C41 | 57.1° | 60.0° |
| H39A | C39 | C40 | H40 | 62.9° | 60.0° |
| H39A | C39 | C40 | H40A | 177.1° | 180.0° |
| C41 | C40 | H40 | H40A | 118.2° | 120.0° |
| C40 | C41 | C42 | H41 | 120.0° | 120.0° |
| C40 | C41 | C42 | H41A | 120.0° | 119.9° |
| C40 | C41 | H41 | H41A | 118.6° | 120.0° |
| C40 | C41 | C42 | N43 | 164.9° | 180.0° |
| C40 | C41 | C42 | H42 | 44.9° | 60.0° |
| C40 | C41 | C42 | H42A | 75.0° | 60.0° |
| H40 | C40 | C41 | C42 | 67.6° | 60.0° |
| H40 | C40 | C41 | H41 | 172.4° | 180.0° |
| H40 | C40 | C41 | H41A | 52.3° | 59.9° |
| H40A | C40 | C41 | C42 | 52.3° | 60.0° |
| H40A | C40 | C41 | H41 | 67.6° | 60.0° |
| H40A | C40 | C41 | H41A | 172.3° | 180.0° |
| C42 | C41 | H41 | H41A | 118.6° | 120.0° |
| C41 | C42 | N43 | H42 | 120.0° | 120.0° |
| C41 | C42 | N43 | H42A | 120.0° | 120.0° |
| C41 | C42 | H42 | H42A | 118.1° | 120.0° |
| C41 | C42 | N43 | O44 | 49.8° | 105.0° |
| C41 | C42 | N43 | C45 | 133.7° | 75.0° |
| H41 | C41 | C42 | N43 | 75.1° | 60.0° |
| H41 | C41 | C42 | H42 | 164.9° | 180.0° |
| H41 | C41 | C42 | H42A | 45.0° | 60.0° |
| H41A | C41 | C42 | N43 | 44.9° | 60.0° |
| H41A | C41 | C42 | H42 | 75.1° | 60.0° |
| H41A | C41 | C42 | H42A | 165.0° | 179.9° |
| N43 | C42 | H42 | H42A | 118.2° | 120.0° |
| C42 | N43 | O44 | C45 | 176.8° | 180.0° |
| C42 | N43 | O44 | HO44 | 163.8° | 179.9° |
| C42 | N43 | C45 | O46 | 149.6° | 0.1° |
| C42 | N43 | C45 | C47 | 29.9° | 179.9° |
| H42 | C42 | N43 | O44 | 169.8° | 135.0° |
| H42 | C42 | N43 | C45 | 13.7° | 45.0° |
| H42A | C42 | N43 | O44 | 70.2° | 15.0° |
| H42A | C42 | N43 | C45 | 106.3° | 165.0° |
| O44 | N43 | C45 | O46 | 26.9° | 180.0° |
| O44 | N43 | C45 | C47 | 153.7° | 0.0° |
| C45 | N43 | O44 | HO44 | 13.0° | 0.0° |
| N43 | C45 | O46 | C47 | 179.5° | 180.0° |
| N43 | C45 | C47 | C48 | 60.6° | 180.0° |
| N43 | C45 | C47 | H47 | 59.4° | 60.0° |
| N43 | C45 | C47 | H47A | 179.5° | 60.0° |
| O46 | C45 | C47 | C48 | 120.0° | 0.0° |
| O46 | C45 | C47 | H47 | 120.0° | 120.0° |
| O46 | C45 | C47 | H47A | 0.0° | 120.0° |
| C45 | C47 | C48 | H47 | 120.0° | 120.0° |
| C45 | C47 | C48 | H47A | 120.0° | 120.1° |
| C45 | C47 | H47 | H47A | 118.3° | 120.0° |
| C45 | C47 | C48 | C49 | 179.3° | 180.0° |
| C45 | C47 | C48 | H48 | 60.7° | 60.0° |
| C45 | C47 | C48 | H48A | 59.3° | 59.9° |
| C48 | C47 | H47 | H47A | 118.3° | 119.9° |
| C47 | C48 | C49 | H48 | 120.0° | 120.0° |
| C47 | C48 | C49 | H48A | 120.0° | 120.1° |
| C47 | C48 | H48 | H48A | 118.8° | 119.9° |
| C47 | C48 | C49 | C50 | 171.4° | 180.0° |
| C47 | C48 | C49 | H49 | 68.6° | 60.0° |
| C47 | C48 | C49 | H49A | 51.4° | 59.9° |
| H47 | C47 | C48 | C49 | 59.3° | 60.0° |
| H47 | C47 | C48 | H48 | 179.3° | 180.0° |
| H47 | C47 | C48 | H48A | 60.7° | 60.1° |
| H47A | C47 | C48 | C49 | 60.7° | 59.9° |
| H47A | C47 | C48 | H48 | 59.3° | 60.1° |
| H47A | C47 | C48 | H48A | 179.3° | 180.0° |
| C49 | C48 | H48 | H48A | 118.8° | 120.0° |
| C48 | C49 | C50 | H49 | 120.0° | 120.0° |
| C48 | C49 | C50 | H49A | 120.0° | 120.0° |
| C48 | C49 | H49 | H49A | 118.6° | 119.9° |
| C48 | C49 | C50 | C51 | 176.2° | 180.0° |
| C48 | C49 | C50 | H50 | 63.8° | 60.0° |
| C48 | C49 | C50 | H50A | 56.3° | 60.0° |
| H48 | C48 | C49 | C50 | 51.4° | 60.0° |
| H48 | C48 | C49 | H49 | 171.4° | 180.0° |
| H48 | C48 | C49 | H49A | 68.6° | 60.1° |
| H48A | C48 | C49 | C50 | 68.6° | 60.0° |
| H48A | C48 | C49 | H49 | 51.4° | 60.1° |
| H48A | C48 | C49 | H49A | 171.4° | 180.0° |
| C50 | C49 | H49 | H49A | 118.5° | 120.0° |
| C49 | C50 | C51 | H50 | 120.0° | 120.0° |
| C49 | C50 | C51 | H50A | 120.0° | 120.0° |
| C49 | C50 | H50 | H50A | 118.9° | 120.0° |
| C49 | C50 | C51 | C52 | 179.8° | 180.0° |
| C49 | C50 | C51 | H51 | 59.8° | 59.9° |
| C49 | C50 | C51 | H51A | 60.2° | 60.0° |
| H49 | C49 | C50 | C51 | 56.2° | 60.0° |
| H49 | C49 | C50 | H50 | 176.2° | 180.0° |
| H49 | C49 | C50 | H50A | 63.7° | 60.0° |
| H49A | C49 | C50 | C51 | 63.7° | 60.0° |
| H49A | C49 | C50 | H50 | 56.3° | 60.0° |
| H49A | C49 | C50 | H50A | 176.3° | 180.0° |
| C51 | C50 | H50 | H50A | 118.9° | 119.9° |
| C50 | C51 | C52 | H51 | 120.0° | 120.1° |
| C50 | C51 | C52 | H51A | 120.0° | 120.0° |
| C50 | C51 | H51 | H51A | 118.7° | 120.0° |
| C50 | C51 | C52 | C53 | 175.2° | 180.0° |
| C50 | C51 | C52 | H52 | 55.2° | 60.0° |
| C50 | C51 | C52 | H52A | 64.8° | 60.0° |
| H50 | C50 | C51 | C52 | 60.2° | 59.9° |
| H50 | C50 | C51 | H51 | 179.8° | 180.0° |
| H50 | C50 | C51 | H51A | 59.8° | 60.0° |
| H50A | C50 | C51 | C52 | 59.8° | 60.0° |
| H50A | C50 | C51 | H51 | 60.2° | 60.1° |
| H50A | C50 | C51 | H51A | 179.8° | 180.0° |
| C52 | C51 | H51 | H51A | 118.7° | 120.0° |
| C51 | C52 | C53 | H52 | 120.0° | 120.1° |
| C51 | C52 | C53 | H52A | 120.0° | 120.0° |
| C51 | C52 | H52 | H52A | 118.7° | 120.0° |
| C51 | C52 | C53 | C54 | 179.1° | 180.0° |
| C51 | C52 | C53 | H53 | 59.1° | 60.0° |
| C51 | C52 | C53 | H53A | 60.9° | 60.0° |
| H51 | C51 | C52 | C53 | 64.8° | 59.9° |
| H51 | C51 | C52 | H52 | 175.2° | 180.0° |
| H51 | C51 | C52 | H52A | 55.2° | 60.1° |
| H51A | C51 | C52 | C53 | 55.2° | 60.0° |
| H51A | C51 | C52 | H52 | 64.8° | 60.0° |
| H51A | C51 | C52 | H52A | 175.2° | 180.0° |
| O51 | C54 | C53 | C52 | 69.1° | 180.0° |
| O51 | C54 | O52 | C53 | 179.7° | 180.0° |
| O51 | C54 | C53 | H53 | 50.9° | 60.0° |
| O51 | C54 | C53 | H53A | 170.9° | 60.0° |
| H531 | O51 | C54 | O52 | 0.0° | 0.0° |
| H531 | O51 | C54 | C53 | 179.7° | 180.0° |
| C53 | C52 | H52 | H52A | 118.7° | 119.9° |
| C52 | C53 | C54 | O52 | 111.2° | 0.0° |
| C52 | C53 | C54 | H53 | 120.0° | 120.0° |
| C52 | C53 | C54 | H53A | 120.0° | 120.0° |
| C52 | C53 | H53 | H53A | 118.8° | 120.0° |
| H52 | C52 | C53 | C54 | 60.9° | 59.9° |
| H52 | C52 | C53 | H53 | 179.0° | 180.0° |
| H52 | C52 | C53 | H53A | 59.1° | 60.0° |
| H52A | C52 | C53 | C54 | 59.1° | 60.0° |
| H52A | C52 | C53 | H53 | 60.9° | 60.0° |
| H52A | C52 | C53 | H53A | 179.1° | 180.0° |
| O52 | C54 | C53 | H53 | 128.8° | 120.0° |
| O52 | C54 | C53 | H53A | 8.8° | 120.0° |
| C54 | C53 | H53 | H53A | 118.8° | 120.0° |
| H56 | C56 | H56A | H56B | 120.0° | 120.0° |
| H522 | C30 | C31 | H532 | 173.5° | 34.9° |
