24G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C33 | doub | 1.22Å | 1.23Å | |
| C33 | N34 | sing | 1.35Å | 1.38Å | |
| C33 | N32 | sing | 1.35Å | 1.40Å | |
| N34 | C35 | sing | 1.35Å | 1.38Å | |
| O31 | C27 | sing | 1.43Å | 1.43Å | |
| O39 | C35 | doub | 1.22Å | 1.22Å | |
| C35 | C36 | sing | 1.42Å | 1.48Å | |
| N32 | C28 | sing | 1.46Å | 1.47Å | |
| N32 | C37 | sing | 1.37Å | 1.38Å | |
| C28 | C27 | sing | 1.55Å | 1.52Å | |
| C28 | O29 | sing | 1.44Å | 1.44Å | |
| C27 | C26 | sing | 1.55Å | 1.51Å | |
| O30 | C26 | sing | 1.43Å | 1.42Å | |
| O29 | C25 | sing | 1.44Å | 1.44Å | |
| C37 | C36 | doub | 1.35Å | 1.34Å | |
| C26 | C25 | sing | 1.54Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| O8 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C24 | O23 | sing | 1.43Å | 1.42Å | |
| O23 | P20 | sing | 1.61Å | 1.64Å | |
| O9 | C1 | sing | 1.43Å | 1.43Å | |
| O22 | P20 | doub | 1.48Å | 1.64Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| P20 | O19 | sing | 1.61Å | 1.62Å | |
| P20 | O21 | sing | 1.61Å | 1.51Å | |
| O5 | C4 | sing | 1.43Å | 1.44Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C49 | C48 | sing | 1.53Å | 1.51Å | |
| C52 | C51 | sing | 1.53Å | 1.51Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| O19 | P16 | sing | 1.61Å | 1.61Å | |
| C47 | C48 | sing | 1.53Å | 1.51Å | |
| C47 | C46 | sing | 1.53Å | 1.52Å | |
| C2 | O10 | sing | 1.45Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O15 | C13 | doub | 1.21Å | 1.23Å | |
| O10 | C13 | sing | 1.34Å | 1.38Å | |
| C4 | O12 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O12 | P16 | sing | 1.61Å | 1.64Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| P16 | O17 | doub | 1.48Å | 1.63Å | |
| P16 | O18 | sing | 1.61Å | 1.51Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | C44 | sing | 1.53Å | 1.52Å | |
| C3 | N11 | sing | 1.47Å | 1.45Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| C40 | C14 | sing | 1.53Å | 1.51Å | |
| C40 | C42 | sing | 1.53Å | 1.51Å | |
| C40 | O41 | sing | 1.43Å | 1.42Å | |
| C36 | H1 | sing | 1.08Å | 1.08Å | |
| C37 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C52 | H12 | sing | 1.09Å | 1.10Å | |
| C52 | H13 | sing | 1.09Å | 1.10Å | |
| C52 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C51 | H21 | sing | 1.09Å | 1.10Å | |
| C51 | H22 | sing | 1.09Å | 1.10Å | |
| C50 | H23 | sing | 1.09Å | 1.10Å | |
| C50 | H24 | sing | 1.09Å | 1.10Å | |
| C49 | H25 | sing | 1.09Å | 1.10Å | |
| C49 | H26 | sing | 1.09Å | 1.10Å | |
| C48 | H27 | sing | 1.09Å | 1.10Å | |
| C48 | H28 | sing | 1.09Å | 1.10Å | |
| C47 | H29 | sing | 1.09Å | 1.10Å | |
| C47 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| N34 | H42 | sing | 0.97Å | 1.00Å | |
| N11 | H43 | sing | 1.01Å | 1.00Å | |
| N11 | H44 | sing | 1.01Å | 1.00Å | |
| O18 | H46 | sing | 0.97Å | 0.95Å | |
| O21 | H47 | sing | 0.97Å | 0.95Å | |
| O9 | H48 | sing | 0.97Å | 0.95Å | |
| O30 | H49 | sing | 0.97Å | 0.95Å | |
| O31 | H50 | sing | 0.97Å | 0.95Å | |
| O8 | H51 | sing | 0.97Å | 0.95Å | |
| O41 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C33 | N34 | 119.8° | 119.5° |
| O38 | C33 | N32 | 125.2° | 119.5° |
| N34 | C33 | N32 | 115.0° | 121.0° |
| C33 | N34 | C35 | 126.1° | 120.2° |
| C33 | N34 | H42 | 116.9° | 119.9° |
| C33 | N32 | C28 | 120.8° | 119.7° |
| C33 | N32 | C37 | 120.6° | 120.6° |
| N34 | C35 | O39 | 123.8° | 120.3° |
| N34 | C35 | C36 | 116.8° | 119.4° |
| C35 | N34 | H42 | 116.9° | 119.9° |
| O31 | C27 | C28 | 113.3° | 110.9° |
| O31 | C27 | C26 | 113.2° | 110.9° |
| O31 | C27 | H7 | 109.1° | 110.8° |
| C27 | O31 | H50 | 109.5° | 114.0° |
| O39 | C35 | C36 | 119.4° | 120.3° |
| C35 | C36 | C37 | 116.1° | 119.2° |
| C35 | C36 | H1 | 122.0° | 120.5° |
| C28 | N32 | C37 | 118.6° | 119.7° |
| N32 | C28 | C27 | 115.4° | 110.6° |
| N32 | C28 | O29 | 112.2° | 110.6° |
| N32 | C28 | H10 | 107.4° | 110.7° |
| N32 | C37 | C36 | 125.3° | 119.7° |
| N32 | C37 | H2 | 117.4° | 120.1° |
| C27 | C28 | O29 | 106.9° | 103.5° |
| C28 | C27 | C26 | 105.2° | 102.1° |
| C28 | C27 | H7 | 107.8° | 111.0° |
| C27 | C28 | H10 | 106.8° | 110.6° |
| C28 | O29 | C25 | 109.4° | 107.0° |
| O29 | C28 | H10 | 107.7° | 110.6° |
| C27 | C26 | O30 | 112.9° | 110.6° |
| C27 | C26 | C25 | 105.1° | 104.1° |
| C27 | C26 | H6 | 109.4° | 110.5° |
| C26 | C27 | H7 | 108.0° | 110.9° |
| O30 | C26 | C25 | 109.3° | 110.5° |
| O30 | C26 | H6 | 110.7° | 110.5° |
| C26 | O30 | H49 | 109.5° | 113.9° |
| O29 | C25 | C26 | 108.9° | 107.3° |
| O29 | C25 | C24 | 112.0° | 109.9° |
| O29 | C25 | H8 | 109.1° | 110.0° |
| C37 | C36 | H1 | 121.9° | 120.4° |
| C36 | C37 | H2 | 117.3° | 120.2° |
| C26 | C25 | C24 | 110.7° | 109.8° |
| C25 | C26 | H6 | 109.4° | 110.5° |
| C26 | C25 | H8 | 108.1° | 109.9° |
| C25 | C24 | O23 | 111.0° | 109.5° |
| C24 | C25 | H8 | 108.0° | 109.9° |
| C25 | C24 | H17 | 109.1° | 109.5° |
| C25 | C24 | H18 | 109.1° | 109.5° |
| O8 | C7 | C6 | 108.1° | 109.5° |
| O8 | C7 | H19 | 109.8° | 109.5° |
| O8 | C7 | H20 | 109.8° | 109.5° |
| C7 | O8 | H51 | 109.5° | 114.0° |
| C7 | C6 | C1 | 114.0° | 109.5° |
| C7 | C6 | O5 | 108.8° | 109.5° |
| C7 | C6 | H9 | 107.4° | 109.5° |
| C6 | C7 | H19 | 109.8° | 109.4° |
| C6 | C7 | H20 | 109.8° | 109.5° |
| C24 | O23 | P20 | 120.9° | 123.0° |
| O23 | C24 | H17 | 109.1° | 109.5° |
| O23 | C24 | H18 | 109.1° | 109.4° |
| O23 | P20 | O22 | 106.5° | 109.5° |
| O23 | P20 | O19 | 101.1° | 109.5° |
| O23 | P20 | O21 | 119.2° | 109.5° |
| O9 | C1 | C6 | 107.2° | 109.6° |
| O9 | C1 | C2 | 108.0° | 109.5° |
| O9 | C1 | H5 | 111.3° | 109.5° |
| C1 | O9 | H48 | 109.5° | 114.0° |
| O22 | P20 | O19 | 99.6° | 109.5° |
| O22 | P20 | O21 | 115.8° | 109.5° |
| C1 | C6 | O5 | 110.9° | 109.4° |
| C6 | C1 | C2 | 110.9° | 109.1° |
| C6 | C1 | H5 | 109.7° | 109.5° |
| C1 | C6 | H9 | 107.1° | 109.5° |
| C6 | O5 | C4 | 111.2° | 114.1° |
| O5 | C6 | H9 | 108.4° | 109.5° |
| C1 | C2 | O10 | 113.5° | 109.5° |
| C1 | C2 | C3 | 114.9° | 109.1° |
| C1 | C2 | H4 | 106.5° | 109.7° |
| C2 | C1 | H5 | 109.7° | 109.5° |
| O19 | P20 | O21 | 112.0° | 109.5° |
| P20 | O19 | P16 | 128.9° | 134.0° |
| P20 | O21 | H47 | 109.5° | 114.0° |
| O5 | C4 | O12 | 116.2° | 109.4° |
| O5 | C4 | C3 | 111.7° | 109.4° |
| O5 | C4 | H11 | 105.3° | 109.5° |
| C50 | C49 | C48 | 109.2° | 109.5° |
| C49 | C50 | C51 | 112.2° | 109.4° |
| C49 | C50 | H23 | 108.8° | 109.4° |
| C49 | C50 | H24 | 108.8° | 109.4° |
| C50 | C49 | H25 | 109.5° | 109.5° |
| C50 | C49 | H26 | 109.5° | 109.5° |
| C49 | C48 | C47 | 111.3° | 109.4° |
| C48 | C49 | H25 | 109.6° | 109.4° |
| C48 | C49 | H26 | 109.5° | 109.5° |
| C49 | C48 | H27 | 109.1° | 109.4° |
| C49 | C48 | H28 | 109.1° | 109.5° |
| C52 | C51 | C50 | 111.3° | 109.4° |
| C51 | C52 | H12 | 109.5° | 109.5° |
| C51 | C52 | H13 | 109.5° | 109.5° |
| C51 | C52 | H14 | 109.4° | 109.4° |
| C52 | C51 | H21 | 109.0° | 109.4° |
| C52 | C51 | H22 | 109.0° | 109.4° |
| C50 | C51 | H21 | 109.0° | 109.5° |
| C50 | C51 | H22 | 109.0° | 109.5° |
| C51 | C50 | H23 | 108.8° | 109.5° |
| C51 | C50 | H24 | 108.8° | 109.5° |
| O19 | P16 | O12 | 101.8° | 109.5° |
| O19 | P16 | O17 | 100.5° | 109.4° |
| O19 | P16 | O18 | 113.1° | 109.5° |
| C48 | C47 | C46 | 109.8° | 109.4° |
| C47 | C48 | H27 | 109.0° | 109.5° |
| C47 | C48 | H28 | 109.0° | 109.5° |
| C48 | C47 | H29 | 109.4° | 109.5° |
| C48 | C47 | H30 | 109.4° | 109.5° |
| C47 | C46 | C45 | 114.4° | 109.4° |
| C46 | C47 | H29 | 109.4° | 109.5° |
| C46 | C47 | H30 | 109.4° | 109.4° |
| C47 | C46 | H31 | 108.2° | 109.4° |
| C47 | C46 | H32 | 108.2° | 109.4° |
| O10 | C2 | C3 | 107.1° | 109.5° |
| C2 | O10 | C13 | 113.4° | 117.0° |
| O10 | C2 | H4 | 107.7° | 109.5° |
| C2 | C3 | C4 | 113.8° | 109.2° |
| C2 | C3 | N11 | 107.7° | 109.5° |
| C2 | C3 | H3 | 107.7° | 109.5° |
| C3 | C2 | H4 | 106.7° | 109.5° |
| O15 | C13 | O10 | 125.3° | 120.0° |
| O15 | C13 | C14 | 120.6° | 120.0° |
| O10 | C13 | C14 | 114.1° | 120.0° |
| O12 | C4 | C3 | 112.6° | 109.5° |
| C4 | O12 | P16 | 120.3° | 123.0° |
| O12 | C4 | H11 | 105.3° | 109.5° |
| C4 | C3 | N11 | 111.5° | 109.5° |
| C4 | C3 | H3 | 107.5° | 109.6° |
| C3 | C4 | H11 | 104.4° | 109.4° |
| O12 | P16 | O17 | 108.8° | 109.4° |
| O12 | P16 | O18 | 116.7° | 109.5° |
| C13 | C14 | C40 | 114.9° | 109.5° |
| C13 | C14 | H15 | 108.1° | 109.5° |
| C13 | C14 | H16 | 108.1° | 109.4° |
| O17 | P16 | O18 | 114.0° | 109.5° |
| P16 | O18 | H46 | 109.5° | 114.0° |
| C46 | C45 | C44 | 110.0° | 109.4° |
| C45 | C46 | H31 | 108.2° | 109.5° |
| C45 | C46 | H32 | 108.2° | 109.5° |
| C46 | C45 | H33 | 109.3° | 109.5° |
| C46 | C45 | H34 | 109.3° | 109.4° |
| C45 | C44 | C43 | 112.8° | 109.5° |
| C44 | C45 | H33 | 109.3° | 109.5° |
| C44 | C45 | H34 | 109.3° | 109.4° |
| C45 | C44 | H35 | 108.6° | 109.5° |
| C45 | C44 | H36 | 108.6° | 109.5° |
| N11 | C3 | H3 | 108.5° | 109.5° |
| C3 | N11 | H43 | 109.5° | 111.0° |
| C3 | N11 | H44 | 109.5° | 111.0° |
| C44 | C43 | C42 | 109.9° | 109.5° |
| C43 | C44 | H35 | 108.6° | 109.5° |
| C43 | C44 | H36 | 108.6° | 109.5° |
| C44 | C43 | H37 | 109.4° | 109.5° |
| C44 | C43 | H38 | 109.4° | 109.5° |
| C43 | C42 | C40 | 112.1° | 109.5° |
| C42 | C43 | H37 | 109.4° | 109.5° |
| C42 | C43 | H38 | 109.4° | 109.5° |
| C43 | C42 | H39 | 108.8° | 109.5° |
| C43 | C42 | H40 | 108.8° | 109.5° |
| C14 | C40 | C42 | 108.6° | 109.5° |
| C14 | C40 | O41 | 107.7° | 109.4° |
| C40 | C14 | H15 | 108.1° | 109.5° |
| C40 | C14 | H16 | 108.1° | 109.5° |
| C14 | C40 | H41 | 110.6° | 109.5° |
| C42 | C40 | O41 | 107.3° | 109.5° |
| C40 | C42 | H39 | 108.8° | 109.5° |
| C40 | C42 | H40 | 108.8° | 109.5° |
| C42 | C40 | H41 | 110.6° | 109.5° |
| O41 | C40 | H41 | 112.0° | 109.5° |
| C40 | O41 | H52 | 109.5° | 114.0° |
| H12 | C52 | H13 | 109.5° | 109.4° |
| H12 | C52 | H14 | 109.5° | 109.4° |
| H13 | C52 | H14 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C7 | H20 | 109.5° | 109.5° |
| H21 | C51 | H22 | 109.4° | 109.5° |
| H23 | C50 | H24 | 109.5° | 109.5° |
| H25 | C49 | H26 | 109.5° | 109.4° |
| H27 | C48 | H28 | 109.4° | 109.5° |
| H29 | C47 | H30 | 109.5° | 109.5° |
| H31 | C46 | H32 | 109.5° | 109.5° |
| H33 | C45 | H34 | 109.5° | 109.5° |
| H35 | C44 | H36 | 109.5° | 109.5° |
| H37 | C43 | H38 | 109.5° | 109.5° |
| H39 | C42 | H40 | 109.5° | 109.4° |
| H43 | N11 | H44 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C33 | N34 | N32 | 179.9° | 179.7° |
| O38 | C33 | N34 | C35 | 178.7° | 180.0° |
| O38 | C33 | N32 | C28 | 0.5° | 0.3° |
| O38 | C33 | N32 | C37 | 179.0° | 180.0° |
| O38 | C33 | N34 | H42 | 1.3° | 0.3° |
| C33 | N34 | C35 | H42 | 180.0° | 179.8° |
| C33 | N34 | C35 | O39 | 179.2° | 180.0° |
| C33 | N34 | C35 | C36 | 1.0° | 0.0° |
| N34 | C33 | N32 | C28 | 179.4° | 180.0° |
| N34 | C33 | N32 | C37 | 1.1° | 0.3° |
| N32 | C33 | N34 | C35 | 1.4° | 0.3° |
| C33 | N32 | C28 | C37 | 179.5° | 179.7° |
| C33 | N32 | C28 | C27 | 119.1° | 115.0° |
| C33 | N32 | C28 | O29 | 118.1° | 130.9° |
| C33 | N32 | C37 | C36 | 0.5° | 0.0° |
| C33 | N32 | C37 | H2 | 179.5° | 180.0° |
| C33 | N32 | C28 | H10 | 0.2° | 7.9° |
| N32 | C33 | N34 | H42 | 178.6° | 180.0° |
| N34 | C35 | O39 | C36 | 179.7° | 180.0° |
| N34 | C35 | C36 | C37 | 0.3° | 0.3° |
| N34 | C35 | C36 | H1 | 179.7° | 180.0° |
| O31 | C27 | C28 | N32 | 88.4° | 86.3° |
| O31 | C27 | C28 | C26 | 124.1° | 118.2° |
| O31 | C27 | C28 | H7 | 120.9° | 123.6° |
| O31 | C27 | C28 | O29 | 145.9° | 155.2° |
| O31 | C27 | C26 | H7 | 120.9° | 123.5° |
| O31 | C27 | C26 | O30 | 22.6° | 20.4° |
| O31 | C27 | C26 | C25 | 141.6° | 139.1° |
| O31 | C27 | C26 | H6 | 101.1° | 102.2° |
| O31 | C27 | C28 | H10 | 30.8° | 36.7° |
| O39 | C35 | C36 | C37 | 179.9° | 179.7° |
| O39 | C35 | C36 | H1 | 0.1° | 0.0° |
| O39 | C35 | N34 | H42 | 0.8° | 0.2° |
| C35 | C36 | C37 | N32 | 0.1° | 0.3° |
| C35 | C36 | C37 | H1 | 180.0° | 179.7° |
| C35 | C36 | C37 | H2 | 179.9° | 179.7° |
| C36 | C35 | N34 | H42 | 179.0° | 179.7° |
| N32 | C28 | C27 | O29 | 125.6° | 118.5° |
| N32 | C28 | C27 | H10 | 119.3° | 123.0° |
| N32 | C28 | O29 | H10 | 118.0° | 123.1° |
| N32 | C28 | C27 | C26 | 147.5° | 155.6° |
| N32 | C28 | O29 | C25 | 145.3° | 158.5° |
| C28 | N32 | C37 | C36 | 180.0° | 179.7° |
| C28 | N32 | C37 | H2 | 0.0° | 0.3° |
| N32 | C28 | C27 | H7 | 32.4° | 37.3° |
| C37 | N32 | C28 | C27 | 61.4° | 64.7° |
| C37 | N32 | C28 | O29 | 61.4° | 49.3° |
| N32 | C37 | C36 | H2 | 180.0° | 180.0° |
| N32 | C37 | C36 | H1 | 179.9° | 180.0° |
| C37 | N32 | C28 | H10 | 179.7° | 172.4° |
| C27 | C28 | O29 | H10 | 114.5° | 118.5° |
| C28 | C27 | C26 | H7 | 115.0° | 118.3° |
| C28 | C27 | C26 | O30 | 101.6° | 97.8° |
| C27 | C28 | O29 | C25 | 17.8° | 40.1° |
| C28 | C27 | C26 | C25 | 17.4° | 20.9° |
| C28 | C27 | C26 | H6 | 134.8° | 139.5° |
| C28 | C27 | O31 | H50 | 180.0° | 174.2° |
| O29 | C28 | C27 | C26 | 21.9° | 37.1° |
| C28 | O29 | C25 | C26 | 6.6° | 26.6° |
| C28 | O29 | C25 | C24 | 129.4° | 146.0° |
| O29 | C28 | C27 | H7 | 93.2° | 81.2° |
| C28 | O29 | C25 | H8 | 111.2° | 93.0° |
| C27 | C26 | O30 | C25 | 116.5° | 114.7° |
| C27 | C26 | O30 | H6 | 123.0° | 122.6° |
| C27 | C26 | C25 | O29 | 7.3° | 2.0° |
| C27 | C26 | C25 | H6 | 117.4° | 118.6° |
| C27 | C26 | C25 | C24 | 116.2° | 121.5° |
| C27 | C26 | C25 | H8 | 125.7° | 117.6° |
| C26 | C27 | C28 | H10 | 93.3° | 81.5° |
| C27 | C26 | O30 | H49 | 180.0° | 65.3° |
| C26 | C27 | O31 | H50 | 60.4° | 61.5° |
| O30 | C26 | C25 | O29 | 114.1° | 120.8° |
| O30 | C26 | C25 | H6 | 121.3° | 122.6° |
| O30 | C26 | C25 | C24 | 122.4° | 119.8° |
| O30 | C26 | C27 | H7 | 143.5° | 143.9° |
| O30 | C26 | C25 | H8 | 4.3° | 1.2° |
| O29 | C25 | C26 | C24 | 123.5° | 119.4° |
| O29 | C25 | C26 | H8 | 118.4° | 119.6° |
| O29 | C25 | C24 | H8 | 120.1° | 121.2° |
| O29 | C25 | C24 | O23 | 24.4° | 67.2° |
| O29 | C25 | C26 | H6 | 124.6° | 116.6° |
| C25 | O29 | C28 | H10 | 96.7° | 78.4° |
| O29 | C25 | C24 | H17 | 95.8° | 172.8° |
| O29 | C25 | C24 | H18 | 144.7° | 52.8° |
| C26 | C25 | C24 | H8 | 118.2° | 121.0° |
| C26 | C25 | C24 | O23 | 97.2° | 175.0° |
| C25 | C26 | C27 | H7 | 97.5° | 97.4° |
| C26 | C25 | C24 | H17 | 142.6° | 55.0° |
| C26 | C25 | C24 | H18 | 23.0° | 65.0° |
| C25 | C26 | O30 | H49 | 63.5° | 180.0° |
| C25 | C24 | O23 | H17 | 120.2° | 120.0° |
| C25 | C24 | O23 | H18 | 120.2° | 120.0° |
| C25 | C24 | O23 | P20 | 125.4° | 180.0° |
| C24 | C25 | C26 | H6 | 1.1° | 2.9° |
| C25 | C24 | H17 | H18 | 119.3° | 120.0° |
| O8 | C7 | C6 | H19 | 119.8° | 120.0° |
| O8 | C7 | C6 | H20 | 119.8° | 120.0° |
| O8 | C7 | C6 | C1 | 178.7° | 175.0° |
| O8 | C7 | C6 | O5 | 56.9° | 65.1° |
| O8 | C7 | C6 | H9 | 60.2° | 54.9° |
| O8 | C7 | H19 | H20 | 120.6° | 120.0° |
| C7 | C6 | C1 | O9 | 64.9° | 62.5° |
| C7 | C6 | C1 | O5 | 123.2° | 120.0° |
| C7 | C6 | C1 | H9 | 118.6° | 120.0° |
| C7 | C6 | O5 | H9 | 116.5° | 120.0° |
| C7 | C6 | C1 | C2 | 177.4° | 177.6° |
| C7 | C6 | O5 | C4 | 167.7° | 178.9° |
| C7 | C6 | C1 | H5 | 56.1° | 57.7° |
| C6 | C7 | H19 | H20 | 120.6° | 120.0° |
| C6 | C7 | O8 | H51 | 180.0° | 180.0° |
| C24 | O23 | P20 | O22 | 113.5° | 55.0° |
| C24 | O23 | P20 | O19 | 142.9° | 175.0° |
| C24 | O23 | P20 | O21 | 19.7° | 65.0° |
| O23 | C24 | C25 | H8 | 144.6° | 54.0° |
| O23 | C24 | H17 | H18 | 119.3° | 120.0° |
| O23 | P20 | O22 | O19 | 104.7° | 120.0° |
| O23 | P20 | O22 | O21 | 135.0° | 120.0° |
| O23 | P20 | O19 | O21 | 128.0° | 120.0° |
| O23 | P20 | O19 | P16 | 111.4° | 160.0° |
| P20 | O23 | C24 | H17 | 114.3° | 60.0° |
| P20 | O23 | C24 | H18 | 5.2° | 60.0° |
| O23 | P20 | O21 | H47 | 129.1° | 60.0° |
| O9 | C1 | C6 | C2 | 117.7° | 119.9° |
| O9 | C1 | C6 | H5 | 121.0° | 120.2° |
| O9 | C1 | C6 | O5 | 171.9° | 177.5° |
| O9 | C1 | C2 | H5 | 121.5° | 120.2° |
| O9 | C1 | C2 | O10 | 78.9° | 63.2° |
| O9 | C1 | C2 | C3 | 157.4° | 176.9° |
| O9 | C1 | C2 | H4 | 39.5° | 57.0° |
| O9 | C1 | C6 | H9 | 53.7° | 57.5° |
| O22 | P20 | O19 | O21 | 123.0° | 120.0° |
| O22 | P20 | O19 | P16 | 139.6° | 40.0° |
| O22 | P20 | O21 | H47 | 0.0° | 180.0° |
| C1 | C6 | O5 | H9 | 117.4° | 120.1° |
| C6 | C1 | C2 | H5 | 121.3° | 119.9° |
| C1 | C6 | O5 | C4 | 66.1° | 61.1° |
| C6 | C1 | C2 | O10 | 163.9° | 176.9° |
| C6 | C1 | C2 | C3 | 40.2° | 57.0° |
| C6 | C1 | C2 | H4 | 77.7° | 63.0° |
| C1 | C6 | C7 | H19 | 61.5° | 55.0° |
| C1 | C6 | C7 | H20 | 59.0° | 65.0° |
| C6 | C1 | O9 | H48 | 180.0° | 60.3° |
| O5 | C6 | C1 | C2 | 54.2° | 57.6° |
| C6 | O5 | C4 | O12 | 69.8° | 58.9° |
| C6 | O5 | C4 | C3 | 61.3° | 61.1° |
| O5 | C6 | C1 | H5 | 67.2° | 62.3° |
| C6 | O5 | C4 | H11 | 174.1° | 179.0° |
| O5 | C6 | C7 | H19 | 62.8° | 175.0° |
| O5 | C6 | C7 | H20 | 176.7° | 55.0° |
| C1 | C2 | O10 | C3 | 127.8° | 119.6° |
| C1 | C2 | O10 | H4 | 117.7° | 120.3° |
| C1 | C2 | C3 | H4 | 117.8° | 120.0° |
| C1 | C2 | O10 | C13 | 115.6° | 90.4° |
| C1 | C2 | C3 | C4 | 36.9° | 57.0° |
| C1 | C2 | C3 | N11 | 161.0° | 176.9° |
| C1 | C2 | C3 | H3 | 82.2° | 63.0° |
| C2 | C1 | C6 | H9 | 63.9° | 62.4° |
| C2 | C1 | O9 | H48 | 60.5° | 180.0° |
| P20 | O19 | P16 | O12 | 94.9° | 165.0° |
| P20 | O19 | P16 | O17 | 153.2° | 45.0° |
| P20 | O19 | P16 | O18 | 31.2° | 75.0° |
| O19 | P20 | O21 | H47 | 113.3° | 60.0° |
| O21 | P20 | O19 | P16 | 16.6° | 80.0° |
| O5 | C4 | C3 | C2 | 46.1° | 57.5° |
| O5 | C4 | O12 | C3 | 130.7° | 119.9° |
| O5 | C4 | O12 | H11 | 116.1° | 120.0° |
| O5 | C4 | C3 | H11 | 113.4° | 120.0° |
| O5 | C4 | O12 | P16 | 81.2° | 90.1° |
| O5 | C4 | C3 | N11 | 168.2° | 177.5° |
| O5 | C4 | C3 | H3 | 73.0° | 62.4° |
| C4 | O5 | C6 | H9 | 51.2° | 58.9° |
| C50 | C49 | C48 | H25 | 120.0° | 120.0° |
| C50 | C49 | C48 | H26 | 119.9° | 120.1° |
| C49 | C50 | C51 | C52 | 129.9° | 180.0° |
| C49 | C50 | C51 | H23 | 120.4° | 119.9° |
| C49 | C50 | C51 | H24 | 120.4° | 120.0° |
| C50 | C49 | C48 | C47 | 138.4° | 180.0° |
| C49 | C50 | C51 | H21 | 9.6° | 60.1° |
| C49 | C50 | C51 | H22 | 109.8° | 60.0° |
| C49 | C50 | H23 | H24 | 118.7° | 119.9° |
| C50 | C49 | H25 | H26 | 120.1° | 120.0° |
| C50 | C49 | C48 | H27 | 101.3° | 60.0° |
| C50 | C49 | C48 | H28 | 18.1° | 60.0° |
| C48 | C49 | C50 | C51 | 96.0° | 180.0° |
| C49 | C48 | C47 | H27 | 120.3° | 119.9° |
| C49 | C48 | C47 | H28 | 120.3° | 120.0° |
| C49 | C48 | C47 | C46 | 177.0° | 180.0° |
| C48 | C49 | C50 | H23 | 143.6° | 60.0° |
| C48 | C49 | C50 | H24 | 24.4° | 60.0° |
| C48 | C49 | H25 | H26 | 120.2° | 120.0° |
| C49 | C48 | H27 | H28 | 119.2° | 120.0° |
| C49 | C48 | C47 | H29 | 63.0° | 60.1° |
| C49 | C48 | C47 | H30 | 56.9° | 60.0° |
| C52 | C51 | C50 | H21 | 120.3° | 120.0° |
| C52 | C51 | C50 | H22 | 120.3° | 119.9° |
| C51 | C52 | H12 | H13 | 120.0° | 120.0° |
| C51 | C52 | H12 | H14 | 120.0° | 119.9° |
| C51 | C52 | H13 | H14 | 120.0° | 120.0° |
| C52 | C51 | H21 | H22 | 119.2° | 119.9° |
| C52 | C51 | C50 | H23 | 9.5° | 60.0° |
| C52 | C51 | C50 | H24 | 109.7° | 60.1° |
| C50 | C51 | C52 | H12 | 180.0° | 60.0° |
| C50 | C51 | C52 | H13 | 60.0° | 59.9° |
| C50 | C51 | C52 | H14 | 60.0° | 180.0° |
| C50 | C51 | H21 | H22 | 119.2° | 120.1° |
| C51 | C50 | H23 | H24 | 118.8° | 120.1° |
| C51 | C50 | C49 | H25 | 144.0° | 60.0° |
| C51 | C50 | C49 | H26 | 23.9° | 60.0° |
| O19 | P16 | O12 | C4 | 95.6° | 175.0° |
| O19 | P16 | O12 | O17 | 105.6° | 120.0° |
| O19 | P16 | O12 | O18 | 123.6° | 120.1° |
| O19 | P16 | O17 | O18 | 121.3° | 120.0° |
| O19 | P16 | O18 | H46 | 114.1° | 60.0° |
| C48 | C47 | C46 | H29 | 120.1° | 120.0° |
| C48 | C47 | C46 | H30 | 120.0° | 120.0° |
| C48 | C47 | C46 | C45 | 155.1° | 180.0° |
| C47 | C48 | C49 | H25 | 18.4° | 60.0° |
| C47 | C48 | C49 | H26 | 101.7° | 59.9° |
| C47 | C48 | H27 | H28 | 119.1° | 120.1° |
| C48 | C47 | H29 | H30 | 119.8° | 120.1° |
| C48 | C47 | C46 | H31 | 34.4° | 60.0° |
| C48 | C47 | C46 | H32 | 84.2° | 60.0° |
| C47 | C46 | C45 | H31 | 120.7° | 120.0° |
| C47 | C46 | C45 | H32 | 120.7° | 119.9° |
| C47 | C46 | C45 | C44 | 152.2° | 180.0° |
| C46 | C47 | C48 | H27 | 56.7° | 60.0° |
| C46 | C47 | C48 | H28 | 62.7° | 60.0° |
| C46 | C47 | H29 | H30 | 119.9° | 120.0° |
| C47 | C46 | H31 | H32 | 117.8° | 120.0° |
| C47 | C46 | C45 | H33 | 32.1° | 60.0° |
| C47 | C46 | C45 | H34 | 87.8° | 60.1° |
| O10 | C2 | C3 | H4 | 115.2° | 120.1° |
| C2 | O10 | C13 | O15 | 6.9° | 0.1° |
| O10 | C2 | C3 | C4 | 163.9° | 176.9° |
| C2 | O10 | C13 | C14 | 173.0° | 180.0° |
| O10 | C2 | C3 | N11 | 72.0° | 63.2° |
| O10 | C2 | C3 | H3 | 44.8° | 56.9° |
| O10 | C2 | C1 | H5 | 42.6° | 57.0° |
| C3 | C2 | O10 | C13 | 116.6° | 150.0° |
| C2 | C3 | C4 | O12 | 86.8° | 62.4° |
| C2 | C3 | C4 | N11 | 122.1° | 119.9° |
| C2 | C3 | C4 | H3 | 119.2° | 119.9° |
| C2 | C3 | N11 | H3 | 116.3° | 120.1° |
| C3 | C2 | C1 | H5 | 81.1° | 62.9° |
| C2 | C3 | C4 | H11 | 159.5° | 177.5° |
| C2 | C3 | N11 | H43 | 180.0° | 179.9° |
| C2 | C3 | N11 | H44 | 60.0° | 56.1° |
| O15 | C13 | O10 | C14 | 179.9° | 179.9° |
| O15 | C13 | C14 | C40 | 165.7° | 0.1° |
| O15 | C13 | C14 | H15 | 44.9° | 119.9° |
| O15 | C13 | C14 | H16 | 73.5° | 120.0° |
| O10 | C13 | C14 | C40 | 14.4° | 180.0° |
| C13 | O10 | C2 | H4 | 2.1° | 29.9° |
| O10 | C13 | C14 | H15 | 135.2° | 60.0° |
| O10 | C13 | C14 | H16 | 106.4° | 60.1° |
| O12 | C4 | C3 | H11 | 113.7° | 120.1° |
| C4 | O12 | P16 | O17 | 10.0° | 55.0° |
| C4 | O12 | P16 | O18 | 140.8° | 65.0° |
| O12 | C4 | C3 | N11 | 35.3° | 57.5° |
| O12 | C4 | C3 | H3 | 154.0° | 177.7° |
| C3 | C4 | O12 | P16 | 148.1° | 150.0° |
| C4 | C3 | N11 | H3 | 118.2° | 120.2° |
| C4 | C3 | C2 | H4 | 80.9° | 63.0° |
| C4 | C3 | N11 | H43 | 54.5° | 60.1° |
| C4 | C3 | N11 | H44 | 174.5° | 175.9° |
| O12 | P16 | O17 | O18 | 132.2° | 120.0° |
| P16 | O12 | C4 | H11 | 35.0° | 29.9° |
| O12 | P16 | O18 | H46 | 128.3° | 60.0° |
| C13 | C14 | C40 | H15 | 120.8° | 120.0° |
| C13 | C14 | C40 | H16 | 120.8° | 119.9° |
| C13 | C14 | C40 | C42 | 177.8° | 175.0° |
| C13 | C14 | C40 | O41 | 66.3° | 65.0° |
| C13 | C14 | H15 | H16 | 117.5° | 120.0° |
| C13 | C14 | C40 | H41 | 56.3° | 55.0° |
| O17 | P16 | O18 | H46 | 0.0° | 180.0° |
| C46 | C45 | C44 | H33 | 120.1° | 120.0° |
| C46 | C45 | C44 | H34 | 120.1° | 119.9° |
| C46 | C45 | C44 | C43 | 144.3° | 180.0° |
| C45 | C46 | C47 | H29 | 84.8° | 60.0° |
| C45 | C46 | C47 | H30 | 35.1° | 60.0° |
| C45 | C46 | H31 | H32 | 117.8° | 120.1° |
| C46 | C45 | H33 | H34 | 119.8° | 120.0° |
| C46 | C45 | C44 | H35 | 95.2° | 60.0° |
| C46 | C45 | C44 | H36 | 23.8° | 60.0° |
| C45 | C44 | C43 | H35 | 120.5° | 120.0° |
| C45 | C44 | C43 | H36 | 120.5° | 120.0° |
| C45 | C44 | C43 | C42 | 180.0° | 180.0° |
| C44 | C45 | C46 | H31 | 87.1° | 60.0° |
| C44 | C45 | C46 | H32 | 31.5° | 60.1° |
| C44 | C45 | H33 | H34 | 119.7° | 120.0° |
| C45 | C44 | H35 | H36 | 118.5° | 120.0° |
| C45 | C44 | C43 | H37 | 60.0° | 60.0° |
| C45 | C44 | C43 | H38 | 59.9° | 60.0° |
| N11 | C3 | C2 | H4 | 43.2° | 56.9° |
| N11 | C3 | C4 | H11 | 78.5° | 62.5° |
| C3 | N11 | H43 | H44 | 120.0° | 124.0° |
| C44 | C43 | C42 | H37 | 120.1° | 120.0° |
| C44 | C43 | C42 | H38 | 120.1° | 120.0° |
| C44 | C43 | C42 | C40 | 178.7° | 180.0° |
| C43 | C44 | C45 | H33 | 24.2° | 60.0° |
| C43 | C44 | C45 | H34 | 95.6° | 60.0° |
| C43 | C44 | H35 | H36 | 118.5° | 120.0° |
| C44 | C43 | H37 | H38 | 119.8° | 120.0° |
| C44 | C43 | C42 | H39 | 60.9° | 60.0° |
| C44 | C43 | C42 | H40 | 58.3° | 60.0° |
| C43 | C42 | C40 | C14 | 127.9° | 175.0° |
| C43 | C42 | C40 | H39 | 120.4° | 120.0° |
| C43 | C42 | C40 | H40 | 120.4° | 120.0° |
| C43 | C42 | C40 | O41 | 115.9° | 65.0° |
| C42 | C43 | C44 | H35 | 59.5° | 60.0° |
| C42 | C43 | C44 | H36 | 59.5° | 60.0° |
| C42 | C43 | H37 | H38 | 119.8° | 120.0° |
| C43 | C42 | H39 | H40 | 118.8° | 120.0° |
| C43 | C42 | C40 | H41 | 6.4° | 55.0° |
| C14 | C40 | C42 | O41 | 116.2° | 120.0° |
| C14 | C40 | C42 | H41 | 121.5° | 120.0° |
| C14 | C40 | O41 | H41 | 121.7° | 120.0° |
| C40 | C14 | H15 | H16 | 117.5° | 120.0° |
| C14 | C40 | C42 | H39 | 111.7° | 65.0° |
| C14 | C40 | C42 | H40 | 7.5° | 55.0° |
| C14 | C40 | O41 | H52 | 180.0° | 60.0° |
| C42 | C40 | O41 | H41 | 121.5° | 120.1° |
| C42 | C40 | C14 | H15 | 57.0° | 55.1° |
| C42 | C40 | C14 | H16 | 61.4° | 65.0° |
| C40 | C42 | C43 | H37 | 58.7° | 60.0° |
| C40 | C42 | C43 | H38 | 61.2° | 60.0° |
| C40 | C42 | H39 | H40 | 118.8° | 120.0° |
| C42 | C40 | O41 | H52 | 63.2° | 60.0° |
| O41 | C40 | C14 | H15 | 172.9° | 175.0° |
| O41 | C40 | C14 | H16 | 54.5° | 55.0° |
| O41 | C40 | C42 | H39 | 4.5° | 55.0° |
| O41 | C40 | C42 | H40 | 123.7° | 175.0° |
| H1 | C36 | C37 | H2 | 0.1° | 0.0° |
| H3 | C3 | C2 | H4 | 160.0° | 177.0° |
| H3 | C3 | C4 | H11 | 40.3° | 57.6° |
| H3 | C3 | N11 | H43 | 63.7° | 60.0° |
| H3 | C3 | N11 | H44 | 56.3° | 64.0° |
| H4 | C2 | C1 | H5 | 161.0° | 177.2° |
| H5 | C1 | C6 | H9 | 174.7° | 177.7° |
| H5 | C1 | O9 | H48 | 60.0° | 59.9° |
| H6 | C26 | C27 | H7 | 19.8° | 21.3° |
| H6 | C26 | C25 | H8 | 117.0° | 123.8° |
| H6 | C26 | O30 | H49 | 57.0° | 57.4° |
| H7 | C27 | C28 | H10 | 151.7° | 160.3° |
| H7 | C27 | O31 | H50 | 59.9° | 62.1° |
| H8 | C25 | C24 | H17 | 24.4° | 66.0° |
| H8 | C25 | C24 | H18 | 95.2° | 174.0° |
| H9 | C6 | C7 | H19 | 180.0° | 65.0° |
| H9 | C6 | C7 | H20 | 59.6° | 174.9° |
| H12 | C52 | H13 | H14 | 120.0° | 120.0° |
| H12 | C52 | C51 | H21 | 59.8° | 60.0° |
| H12 | C52 | C51 | H22 | 59.7° | 180.0° |
| H13 | C52 | C51 | H21 | 60.2° | 180.0° |
| H13 | C52 | C51 | H22 | 179.7° | 60.0° |
| H14 | C52 | C51 | H21 | 179.7° | 59.9° |
| H14 | C52 | C51 | H22 | 60.3° | 60.1° |
| H15 | C14 | C40 | H41 | 64.5° | 65.0° |
| H16 | C14 | C40 | H41 | 177.1° | 174.9° |
| H19 | C7 | O8 | H51 | 60.2° | 60.0° |
| H20 | C7 | O8 | H51 | 60.2° | 60.0° |
| H21 | C51 | C50 | H23 | 110.8° | NaN° |
| H21 | C51 | C50 | H24 | 130.0° | 59.9° |
| H22 | C51 | C50 | H23 | 129.8° | 59.9° |
| H22 | C51 | C50 | H24 | 10.6° | 180.0° |
| H23 | C50 | C49 | H25 | 23.6° | 180.0° |
| H23 | C50 | C49 | H26 | 96.5° | 60.0° |
| H24 | C50 | C49 | H25 | 95.6° | 60.0° |
| H24 | C50 | C49 | H26 | 144.3° | 180.0° |
| H25 | C49 | C48 | H27 | 138.7° | 180.0° |
| H25 | C49 | C48 | H28 | 101.8° | 60.0° |
| H26 | C49 | C48 | H27 | 18.6° | 60.0° |
| H26 | C49 | C48 | H28 | 138.1° | 180.0° |
| H27 | C48 | C47 | H29 | 176.7° | 180.0° |
| H27 | C48 | C47 | H30 | 63.4° | 59.9° |
| H28 | C48 | C47 | H29 | 57.3° | 60.0° |
| H28 | C48 | C47 | H30 | 177.2° | 180.0° |
| H29 | C47 | C46 | H31 | 154.5° | 180.0° |
| H29 | C47 | C46 | H32 | 35.9° | 60.0° |
| H30 | C47 | C46 | H31 | 85.6° | 60.0° |
| H30 | C47 | C46 | H32 | 155.8° | NaN° |
| H31 | C46 | C45 | H33 | 152.8° | 179.9° |
| H31 | C46 | C45 | H34 | 32.9° | 59.9° |
| H32 | C46 | C45 | H33 | 88.6° | 60.0° |
| H32 | C46 | C45 | H34 | 151.5° | 180.0° |
| H33 | C45 | C44 | H35 | 144.7° | 180.0° |
| H33 | C45 | C44 | H36 | 96.3° | 60.0° |
| H34 | C45 | C44 | H35 | 24.9° | 59.9° |
| H34 | C45 | C44 | H36 | 143.9° | 179.9° |
| H35 | C44 | C43 | H37 | 179.5° | 180.0° |
| H35 | C44 | C43 | H38 | 60.6° | 60.0° |
| H36 | C44 | C43 | H37 | 60.5° | 60.0° |
| H36 | C44 | C43 | H38 | 179.6° | 180.0° |
| H37 | C43 | C42 | H39 | 179.1° | 180.0° |
| H37 | C43 | C42 | H40 | 61.7° | 60.0° |
| H38 | C43 | C42 | H39 | 59.2° | 60.0° |
| H38 | C43 | C42 | H40 | 178.4° | 180.0° |
| H39 | C42 | C40 | H41 | 126.8° | 175.0° |
| H40 | C42 | C40 | H41 | 114.0° | 65.0° |
| H41 | C40 | O41 | H52 | 58.2° | 180.0° |
