A1AAN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C17 | doub | 1.21Å | 1.26Å | |
| O18 | C17 | sing | 1.34Å | 1.26Å | |
| C17 | C09 | sing | 1.51Å | 1.52Å | |
| C09 | N08 | sing | 1.47Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| N08 | C07 | sing | 1.35Å | 1.32Å | Aromatic |
| N08 | N20 | sing | 1.29Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | doub | 1.35Å | 1.40Å | Aromatic |
| N20 | N21 | doub | 1.29Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | N21 | sing | 1.34Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| C11 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | O03 | sing | 1.43Å | 1.41Å | |
| O03 | P02 | sing | 1.61Å | 1.66Å | |
| P02 | O51 | doub | 1.48Å | 1.51Å | |
| P02 | O01 | sing | 1.61Å | 1.51Å | |
| P02 | C22 | sing | 1.82Å | 1.88Å | |
| O50 | C22 | sing | 1.43Å | 1.39Å | |
| C49 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.51Å | 1.55Å | |
| C40 | C41 | sing | 1.51Å | 1.56Å | |
| C40 | N39 | sing | 1.46Å | 1.49Å | |
| N48 | C47 | sing | 1.39Å | 1.45Å | |
| C23 | N39 | doub | 1.29Å | 1.35Å | Aromatic |
| C23 | S24 | sing | 1.71Å | 1.74Å | Aromatic |
| C41 | C47 | doub | 1.40Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C47 | N46 | sing | 1.33Å | 1.33Å | Aromatic |
| C42 | N43 | doub | 1.33Å | 1.33Å | Aromatic |
| N39 | C37 | sing | 1.32Å | 1.32Å | Aromatic |
| N46 | C44 | doub | 1.32Å | 1.32Å | Aromatic |
| N43 | C44 | sing | 1.32Å | 1.33Å | Aromatic |
| C44 | C45 | sing | 1.51Å | 1.54Å | |
| S24 | C25 | sing | 1.76Å | 1.74Å | Aromatic |
| C37 | C38 | sing | 1.51Å | 1.54Å | |
| C37 | C25 | doub | 1.34Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | O28 | sing | 1.43Å | 1.40Å | |
| O35 | P32 | doub | 1.48Å | 1.51Å | |
| O28 | P29 | sing | 1.61Å | 1.65Å | |
| O31 | P32 | sing | 1.61Å | 1.64Å | |
| O31 | P29 | sing | 1.61Å | 1.64Å | |
| P32 | O33 | sing | 1.61Å | 1.51Å | |
| P32 | O34 | sing | 1.61Å | 1.51Å | |
| P29 | O36 | doub | 1.48Å | 1.51Å | |
| P29 | O30 | sing | 1.61Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C42 | H23 | sing | 1.08Å | 1.08Å | |
| C45 | H24 | sing | 1.09Å | 1.10Å | |
| C45 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| C49 | H27 | sing | 1.09Å | 1.10Å | |
| C49 | H28 | sing | 1.09Å | 1.10Å | |
| C49 | H29 | sing | 1.09Å | 1.10Å | |
| N48 | H30 | sing | 0.97Å | 1.00Å | |
| N48 | H31 | sing | 0.97Å | 1.00Å | |
| O01 | H32 | sing | 0.97Å | 0.95Å | |
| O18 | H33 | sing | 0.97Å | 0.95Å | |
| O30 | H34 | sing | 0.97Å | 0.95Å | |
| O33 | H35 | sing | 0.97Å | 0.95Å | |
| O34 | H36 | sing | 0.97Å | 0.95Å | |
| O50 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C17 | O18 | 120.2° | 119.9° |
| O19 | C17 | C09 | 120.3° | 120.0° |
| O18 | C17 | C09 | 119.6° | 120.0° |
| C17 | O18 | H33 | 109.5° | 117.0° |
| C17 | C09 | N08 | 109.4° | 109.5° |
| C17 | C09 | C10 | 110.6° | 109.5° |
| C17 | C09 | H9 | 109.1° | 109.5° |
| N08 | C09 | C10 | 108.8° | 109.5° |
| C09 | N08 | C07 | 125.5° | 125.9° |
| C09 | N08 | N20 | 125.1° | 125.8° |
| N08 | C09 | H9 | 109.9° | 109.5° |
| C09 | C10 | C11 | 109.7° | 109.5° |
| C09 | C10 | H1 | 109.4° | 109.5° |
| C09 | C10 | H2 | 109.4° | 109.5° |
| C10 | C09 | H9 | 109.0° | 109.5° |
| C07 | N08 | N20 | 109.4° | 108.3° |
| N08 | C07 | C06 | 107.4° | 106.2° |
| N08 | C07 | H13 | 126.3° | 126.9° |
| N08 | N20 | N21 | 107.7° | 110.2° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C10 | C11 | C16 | 119.9° | 120.0° |
| C11 | C10 | H1 | 109.4° | 109.5° |
| C11 | C10 | H2 | 109.4° | 109.5° |
| C07 | C06 | N21 | 107.8° | 106.4° |
| C07 | C06 | C05 | 126.2° | 126.8° |
| C06 | C07 | H13 | 126.3° | 126.9° |
| N20 | N21 | C06 | 107.7° | 108.9° |
| C11 | C12 | C13 | 119.6° | 120.0° |
| C12 | C11 | C16 | 120.3° | 120.0° |
| C11 | C12 | H10 | 120.2° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H3 | 119.9° | 120.0° |
| C13 | C12 | H10 | 120.2° | 120.0° |
| N21 | C06 | C05 | 126.0° | 126.8° |
| C06 | C05 | C04 | 112.1° | 109.5° |
| C06 | C05 | H7 | 108.8° | 109.5° |
| C06 | C05 | H8 | 108.8° | 109.5° |
| C11 | C16 | C15 | 120.0° | 120.0° |
| C11 | C16 | H12 | 120.0° | 120.0° |
| C05 | C04 | O03 | 108.9° | 109.5° |
| C05 | C04 | H5 | 109.6° | 109.4° |
| C05 | C04 | H6 | 109.6° | 109.4° |
| C04 | C05 | H7 | 108.8° | 109.4° |
| C04 | C05 | H8 | 108.8° | 109.4° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | H3 | 119.9° | 120.0° |
| C13 | C14 | H11 | 120.0° | 120.0° |
| C16 | C15 | C14 | 119.8° | 120.0° |
| C16 | C15 | H4 | 120.1° | 120.0° |
| C15 | C16 | H12 | 120.0° | 120.0° |
| C14 | C15 | H4 | 120.1° | 120.0° |
| C15 | C14 | H11 | 120.0° | 120.0° |
| C04 | O03 | P02 | 116.9° | 123.0° |
| O03 | C04 | H5 | 109.6° | 109.5° |
| O03 | C04 | H6 | 109.6° | 109.5° |
| O03 | P02 | O51 | 110.5° | 109.5° |
| O03 | P02 | O01 | 108.8° | 109.5° |
| O03 | P02 | C22 | 108.5° | 109.5° |
| O51 | P02 | O01 | 109.4° | 109.5° |
| O51 | P02 | C22 | 110.4° | 109.5° |
| O01 | P02 | C22 | 109.2° | 109.5° |
| P02 | O01 | H32 | 109.5° | 114.0° |
| P02 | C22 | O50 | 108.2° | 109.5° |
| P02 | C22 | C49 | 108.4° | 109.5° |
| P02 | C22 | C23 | 112.3° | 109.5° |
| O50 | C22 | C49 | 108.1° | 109.5° |
| O50 | C22 | C23 | 109.5° | 109.4° |
| C22 | O50 | H37 | 109.5° | 114.1° |
| C49 | C22 | C23 | 110.3° | 109.5° |
| C22 | C49 | H27 | 109.5° | 109.5° |
| C22 | C49 | H28 | 109.5° | 109.4° |
| C22 | C49 | H29 | 109.5° | 109.5° |
| C22 | C23 | N39 | 128.7° | 124.9° |
| C22 | C23 | S24 | 117.9° | 124.9° |
| C41 | C40 | N39 | 113.1° | 109.5° |
| C40 | C41 | C47 | 124.0° | 120.8° |
| C40 | C41 | C42 | 118.8° | 120.8° |
| C41 | C40 | H21 | 108.5° | 109.5° |
| C41 | C40 | H22 | 108.6° | 109.5° |
| C40 | N39 | C23 | 122.3° | 121.4° |
| C40 | N39 | C37 | 121.0° | 121.4° |
| N39 | C40 | H21 | 108.5° | 109.5° |
| N39 | C40 | H22 | 108.6° | 109.5° |
| N48 | C47 | C41 | 121.4° | 120.6° |
| N48 | C47 | N46 | 118.3° | 120.5° |
| C47 | N48 | H30 | 109.5° | 120.0° |
| C47 | N48 | H31 | 109.5° | 120.0° |
| N39 | C23 | S24 | 108.0° | 110.2° |
| C23 | N39 | C37 | 116.7° | 117.1° |
| C23 | S24 | C25 | 93.2° | 90.3° |
| C47 | C41 | C42 | 117.2° | 118.4° |
| C41 | C47 | N46 | 120.3° | 118.9° |
| C41 | C42 | N43 | 119.5° | 119.2° |
| C41 | C42 | H23 | 120.2° | 120.4° |
| C47 | N46 | C44 | 120.1° | 120.7° |
| C42 | N43 | C44 | 121.3° | 121.0° |
| N43 | C42 | H23 | 120.3° | 120.4° |
| N39 | C37 | C38 | 122.2° | 122.8° |
| N39 | C37 | C25 | 115.3° | 114.5° |
| N46 | C44 | N43 | 121.6° | 121.8° |
| N46 | C44 | C45 | 119.4° | 119.1° |
| N43 | C44 | C45 | 119.0° | 119.1° |
| C44 | C45 | H24 | 109.5° | 109.5° |
| C44 | C45 | H25 | 109.5° | 109.5° |
| C44 | C45 | H26 | 109.5° | 109.5° |
| S24 | C25 | C37 | 106.8° | 107.9° |
| S24 | C25 | C26 | 125.8° | 126.0° |
| C38 | C37 | C25 | 122.5° | 122.7° |
| C37 | C38 | H18 | 109.5° | 109.5° |
| C37 | C38 | H19 | 109.5° | 109.5° |
| C37 | C38 | H20 | 109.4° | 109.5° |
| C37 | C25 | C26 | 127.4° | 126.1° |
| C25 | C26 | C27 | 109.2° | 109.5° |
| C25 | C26 | H14 | 109.6° | 109.5° |
| C25 | C26 | H15 | 109.5° | 109.5° |
| C26 | C27 | O28 | 106.9° | 109.5° |
| C27 | C26 | H14 | 109.5° | 109.4° |
| C27 | C26 | H15 | 109.6° | 109.5° |
| C26 | C27 | H16 | 110.1° | 109.5° |
| C26 | C27 | H17 | 110.1° | 109.5° |
| C27 | O28 | P29 | 118.3° | 123.0° |
| O28 | C27 | H16 | 110.1° | 109.5° |
| O28 | C27 | H17 | 110.1° | 109.4° |
| O35 | P32 | O31 | 107.4° | 109.5° |
| O35 | P32 | O33 | 109.3° | 109.5° |
| O35 | P32 | O34 | 111.3° | 109.5° |
| O28 | P29 | O31 | 107.7° | 109.5° |
| O28 | P29 | O36 | 110.1° | 109.5° |
| O28 | P29 | O30 | 108.8° | 109.5° |
| P32 | O31 | P29 | 125.3° | 134.0° |
| O31 | P32 | O33 | 107.9° | 109.4° |
| O31 | P32 | O34 | 111.2° | 109.5° |
| O31 | P29 | O36 | 108.7° | 109.4° |
| O31 | P29 | O30 | 110.6° | 109.5° |
| O33 | P32 | O34 | 109.7° | 109.5° |
| P32 | O33 | H35 | 109.5° | 114.0° |
| P32 | O34 | H36 | 109.5° | 114.0° |
| O36 | P29 | O30 | 110.9° | 109.5° |
| P29 | O30 | H34 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.4° | 109.4° |
| H5 | C04 | H6 | 109.5° | 109.4° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.4° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H18 | C38 | H19 | 109.5° | 109.5° |
| H18 | C38 | H20 | 109.4° | 109.5° |
| H19 | C38 | H20 | 109.5° | 109.5° |
| H21 | C40 | H22 | 109.5° | 109.4° |
| H24 | C45 | H25 | 109.4° | 109.5° |
| H24 | C45 | H26 | 109.5° | 109.4° |
| H25 | C45 | H26 | 109.5° | 109.4° |
| H27 | C49 | H28 | 109.5° | 109.5° |
| H27 | C49 | H29 | 109.5° | 109.5° |
| H28 | C49 | H29 | 109.5° | 109.4° |
| H30 | N48 | H31 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C17 | O18 | C09 | 179.8° | 180.0° |
| O19 | C17 | C09 | N08 | 159.4° | 0.0° |
| O19 | C17 | C09 | C10 | 39.6° | 120.0° |
| O19 | C17 | C09 | H9 | 80.3° | 120.0° |
| O19 | C17 | O18 | H33 | 0.0° | 0.0° |
| O18 | C17 | C09 | N08 | 20.8° | 180.0° |
| O18 | C17 | C09 | C10 | 140.7° | 60.0° |
| O18 | C17 | C09 | H9 | 99.4° | 60.0° |
| C17 | C09 | N08 | C10 | 121.0° | 120.0° |
| C17 | C09 | N08 | H9 | 119.7° | 120.0° |
| C17 | C09 | C10 | H9 | 119.9° | 120.0° |
| C17 | C09 | N08 | C07 | 119.7° | 35.0° |
| C17 | C09 | N08 | N20 | 60.9° | 145.0° |
| C17 | C09 | C10 | C11 | 163.2° | 65.0° |
| C17 | C09 | C10 | H1 | 43.2° | 55.0° |
| C17 | C09 | C10 | H2 | 76.7° | 175.0° |
| C09 | C17 | O18 | H33 | 179.7° | 180.0° |
| N08 | C09 | C10 | H9 | 119.9° | 120.0° |
| C09 | N08 | C07 | N20 | 179.5° | 180.0° |
| N08 | C09 | C10 | C11 | 76.6° | 175.0° |
| C09 | N08 | C07 | C06 | 180.0° | 180.0° |
| C09 | N08 | N20 | N21 | 179.8° | 180.0° |
| N08 | C09 | C10 | H1 | 163.4° | 65.0° |
| N08 | C09 | C10 | H2 | 43.5° | 55.0° |
| C09 | N08 | C07 | H13 | 0.1° | 0.0° |
| C10 | C09 | N08 | C07 | 119.4° | 85.0° |
| C10 | C09 | N08 | N20 | 60.1° | 95.1° |
| C09 | C10 | C11 | H1 | 120.0° | 120.0° |
| C09 | C10 | C11 | H2 | 120.1° | 120.1° |
| C09 | C10 | C11 | C12 | 96.1° | 89.2° |
| C09 | C10 | C11 | C16 | 82.9° | 90.0° |
| C09 | C10 | H1 | H2 | 119.9° | 120.0° |
| N08 | C07 | C06 | H13 | 180.0° | 179.9° |
| C07 | N08 | N20 | N21 | 0.3° | 0.0° |
| N08 | C07 | C06 | N21 | 0.4° | 0.0° |
| N08 | C07 | C06 | C05 | 179.9° | 179.7° |
| C07 | N08 | C09 | H9 | 0.1° | 155.0° |
| N20 | N08 | C07 | C06 | 0.4° | 0.0° |
| N08 | N20 | N21 | C06 | 0.0° | 0.0° |
| N20 | N08 | C09 | H9 | 179.4° | 24.9° |
| N20 | N08 | C07 | H13 | 179.6° | 180.0° |
| C10 | C11 | C12 | C16 | 179.0° | 179.1° |
| C10 | C11 | C12 | C13 | 179.3° | 179.7° |
| C10 | C11 | C16 | C15 | 179.3° | 180.0° |
| C11 | C10 | H1 | H2 | 119.9° | 119.9° |
| C11 | C10 | C09 | H9 | 43.3° | 55.0° |
| C10 | C11 | C12 | H10 | 0.7° | 0.3° |
| C10 | C11 | C16 | H12 | 0.7° | 0.0° |
| C07 | C06 | N21 | N20 | 0.2° | 0.0° |
| C07 | C06 | N21 | C05 | 179.7° | 179.7° |
| C07 | C06 | C05 | C04 | 116.0° | 125.3° |
| C07 | C06 | C05 | H7 | 123.6° | 5.3° |
| C07 | C06 | C05 | H8 | 4.4° | 114.7° |
| N20 | N21 | C06 | C05 | 179.9° | 179.7° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.9° |
| C12 | C11 | C10 | H1 | 24.0° | 150.8° |
| C12 | C11 | C10 | H2 | 143.8° | 30.9° |
| C11 | C12 | C13 | H3 | 179.9° | 179.7° |
| C12 | C11 | C16 | H12 | 179.7° | 179.1° |
| C13 | C12 | C11 | C16 | 0.3° | 0.5° |
| C12 | C13 | C14 | H3 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.1° | 0.2° |
| C12 | C13 | C14 | H11 | 179.9° | 179.7° |
| N21 | C06 | C05 | C04 | 63.6° | 55.0° |
| N21 | C06 | C05 | H7 | 56.8° | 175.0° |
| N21 | C06 | C05 | H8 | 176.0° | 64.9° |
| N21 | C06 | C07 | H13 | 179.6° | 180.0° |
| C06 | C05 | C04 | H7 | 120.4° | 120.0° |
| C06 | C05 | C04 | H8 | 120.4° | 120.0° |
| C06 | C05 | C04 | O03 | 74.1° | 180.0° |
| C06 | C05 | C04 | H5 | 45.8° | 60.0° |
| C06 | C05 | C04 | H6 | 166.0° | 59.9° |
| C06 | C05 | H7 | H8 | 118.8° | 120.1° |
| C05 | C06 | C07 | H13 | 0.1° | 0.3° |
| C11 | C16 | C15 | H12 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 0.1° | 0.6° |
| C16 | C11 | C10 | H1 | 157.1° | 30.1° |
| C16 | C11 | C10 | H2 | 37.2° | 150.0° |
| C11 | C16 | C15 | H4 | 179.9° | 179.5° |
| C16 | C11 | C12 | H10 | 179.7° | 179.5° |
| C05 | C04 | O03 | H5 | 119.9° | 120.0° |
| C05 | C04 | O03 | H6 | 119.9° | 120.0° |
| C05 | C04 | O03 | P02 | 171.0° | 180.0° |
| C05 | C04 | H5 | H6 | 120.3° | 119.9° |
| C04 | C05 | H7 | H8 | 118.8° | 119.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.9° | 180.0° |
| C14 | C13 | C12 | H10 | 179.9° | 180.0° |
| C16 | C15 | C14 | H4 | 180.0° | 179.9° |
| C16 | C15 | C14 | H11 | 179.9° | 179.9° |
| C15 | C14 | C13 | H3 | 179.9° | 179.9° |
| C14 | C15 | C16 | H12 | 179.9° | 179.4° |
| C04 | O03 | P02 | O51 | 147.5° | 55.0° |
| C04 | O03 | P02 | O01 | 27.3° | 65.0° |
| C04 | O03 | P02 | C22 | 91.3° | 175.0° |
| O03 | C04 | H5 | H6 | 120.3° | 120.0° |
| O03 | C04 | C05 | H7 | 165.5° | 59.9° |
| O03 | C04 | C05 | H8 | 46.3° | 60.0° |
| O03 | P02 | O51 | O01 | 119.8° | 120.0° |
| O03 | P02 | O51 | C22 | 120.1° | 120.0° |
| O03 | P02 | O01 | C22 | 118.3° | 120.0° |
| O03 | P02 | C22 | O50 | 31.3° | 75.0° |
| O03 | P02 | C22 | C49 | 85.7° | 45.0° |
| O03 | P02 | C22 | C23 | 152.2° | 165.0° |
| P02 | O03 | C04 | H5 | 51.1° | 60.0° |
| P02 | O03 | C04 | H6 | 69.0° | 60.0° |
| O03 | P02 | O01 | H32 | 120.8° | 60.0° |
| O51 | P02 | O01 | C22 | 120.9° | 120.0° |
| O51 | P02 | C22 | O50 | 152.5° | 165.0° |
| O51 | P02 | C22 | C49 | 35.5° | 75.0° |
| O51 | P02 | C22 | C23 | 86.5° | 45.0° |
| O51 | P02 | O01 | H32 | 0.0° | 180.0° |
| O01 | P02 | C22 | O50 | 87.1° | 45.0° |
| O01 | P02 | C22 | C49 | 155.9° | 165.0° |
| O01 | P02 | C22 | C23 | 33.8° | 75.0° |
| P02 | C22 | O50 | C49 | 117.2° | 120.0° |
| P02 | C22 | O50 | C23 | 122.6° | 120.0° |
| P02 | C22 | C49 | C23 | 123.3° | 120.0° |
| P02 | C22 | C23 | N39 | 67.5° | 169.4° |
| P02 | C22 | C23 | S24 | 83.3° | 10.9° |
| P02 | C22 | C49 | H27 | 180.0° | 175.0° |
| P02 | C22 | C49 | H28 | 60.0° | 55.0° |
| P02 | C22 | C49 | H29 | 60.0° | 64.9° |
| C22 | P02 | O01 | H32 | 120.9° | 60.0° |
| P02 | C22 | O50 | H37 | 180.0° | 54.4° |
| O50 | C22 | C49 | C23 | 119.7° | 120.0° |
| O50 | C22 | C23 | N39 | 52.7° | 49.4° |
| O50 | C22 | C23 | S24 | 156.5° | 130.9° |
| O50 | C22 | C49 | H27 | 63.0° | 55.0° |
| O50 | C22 | C49 | H28 | 57.0° | 65.0° |
| O50 | C22 | C49 | H29 | 177.0° | 175.1° |
| C49 | C22 | C23 | N39 | 171.5° | 70.6° |
| C49 | C22 | C23 | S24 | 37.7° | 109.1° |
| C22 | C49 | H27 | H28 | 120.0° | 120.0° |
| C22 | C49 | H27 | H29 | 120.0° | 120.0° |
| C22 | C49 | H28 | H29 | 120.0° | 119.9° |
| C49 | C22 | O50 | H37 | 62.8° | 174.4° |
| C22 | C23 | N39 | C40 | 26.1° | 0.1° |
| C22 | C23 | N39 | S24 | 153.0° | 179.7° |
| C22 | C23 | N39 | C37 | 152.6° | 180.0° |
| C22 | C23 | S24 | C25 | 156.2° | 179.9° |
| C23 | C22 | C49 | H27 | 56.7° | 65.0° |
| C23 | C22 | C49 | H28 | 176.7° | 175.0° |
| C23 | C22 | C49 | H29 | 63.3° | 55.1° |
| C23 | C22 | O50 | H37 | 57.4° | 65.6° |
| C41 | C40 | N39 | H21 | 120.5° | 120.0° |
| C41 | C40 | N39 | H22 | 120.6° | 120.1° |
| C40 | C41 | C47 | N48 | 0.6° | 0.0° |
| C41 | C40 | N39 | C23 | 100.6° | 93.3° |
| C40 | C41 | C47 | C42 | 178.8° | 179.7° |
| C40 | C41 | C47 | N46 | 179.6° | 180.0° |
| C40 | C41 | C42 | N43 | 179.4° | 180.0° |
| C41 | C40 | N39 | C37 | 80.8° | 86.6° |
| C41 | C40 | H21 | H22 | 118.3° | 120.0° |
| C40 | C41 | C42 | H23 | 0.6° | 0.1° |
| C40 | N39 | C23 | C37 | 178.7° | 179.9° |
| C40 | N39 | C23 | S24 | 179.1° | 179.8° |
| N39 | C40 | C41 | C47 | 54.6° | 113.6° |
| N39 | C40 | C41 | C42 | 126.7° | 66.1° |
| C40 | N39 | C37 | C38 | 0.3° | 0.1° |
| C40 | N39 | C37 | C25 | 179.3° | 179.9° |
| N39 | C40 | H21 | H22 | 118.3° | 120.0° |
| N48 | C47 | C41 | N46 | 179.8° | 180.0° |
| N48 | C47 | C41 | C42 | 179.4° | 179.8° |
| N48 | C47 | N46 | C44 | 179.5° | 180.0° |
| C47 | N48 | H30 | H31 | 120.0° | 180.0° |
| N39 | C23 | S24 | C25 | 0.2° | 0.2° |
| C23 | N39 | C37 | C38 | 179.0° | 179.9° |
| C23 | N39 | C37 | C25 | 0.5° | 0.1° |
| C23 | N39 | C40 | H21 | 19.9° | 146.7° |
| C23 | N39 | C40 | H22 | 138.8° | 26.8° |
| S24 | C23 | N39 | C37 | 0.4° | 0.2° |
| C23 | S24 | C25 | C37 | 0.1° | 0.2° |
| C23 | S24 | C25 | C26 | 179.6° | 179.9° |
| C47 | C41 | C42 | N43 | 0.6° | 0.3° |
| C41 | C47 | N46 | C44 | 0.7° | 0.0° |
| C47 | C41 | C40 | H21 | 66.0° | 126.4° |
| C47 | C41 | C40 | H22 | 175.1° | 6.5° |
| C47 | C41 | C42 | H23 | 179.4° | 179.8° |
| C41 | C47 | N48 | H30 | 179.8° | 9.4° |
| C41 | C47 | N48 | H31 | 60.2° | 170.6° |
| C42 | C41 | C47 | N46 | 0.9° | 0.2° |
| C41 | C42 | N43 | H23 | 180.0° | 180.0° |
| C41 | C42 | N43 | C44 | 0.2° | 0.0° |
| C42 | C41 | C40 | H21 | 112.8° | 53.9° |
| C42 | C41 | C40 | H22 | 6.1° | 173.8° |
| C47 | N46 | C44 | N43 | 0.3° | 0.3° |
| C47 | N46 | C44 | C45 | 179.9° | 180.0° |
| N46 | C47 | N48 | H30 | 0.0° | 170.6° |
| N46 | C47 | N48 | H31 | 120.0° | 9.4° |
| C42 | N43 | C44 | N46 | 0.0° | 0.3° |
| C42 | N43 | C44 | C45 | 179.8° | 180.0° |
| N39 | C37 | C25 | S24 | 0.4° | 0.1° |
| N39 | C37 | C38 | C25 | 179.5° | 180.0° |
| N39 | C37 | C25 | C26 | 179.4° | 180.0° |
| N39 | C37 | C38 | H18 | 90.2° | 96.9° |
| N39 | C37 | C38 | H19 | 149.8° | 23.1° |
| N39 | C37 | C38 | H20 | 29.7° | 143.1° |
| C37 | N39 | C40 | H21 | 158.7° | 33.4° |
| C37 | N39 | C40 | H22 | 39.8° | 153.3° |
| N46 | C44 | N43 | C45 | 179.8° | 179.6° |
| N46 | C44 | C45 | H24 | 0.0° | 89.7° |
| N46 | C44 | C45 | H25 | 120.0° | 30.4° |
| N46 | C44 | C45 | H26 | 120.0° | 150.3° |
| C44 | N43 | C42 | H23 | 179.8° | 179.9° |
| N43 | C44 | C45 | H24 | 179.8° | 90.0° |
| N43 | C44 | C45 | H25 | 59.8° | 150.0° |
| N43 | C44 | C45 | H26 | 60.2° | 30.1° |
| C44 | C45 | H24 | H25 | 120.0° | 120.0° |
| C44 | C45 | H24 | H26 | 120.0° | 120.0° |
| C44 | C45 | H25 | H26 | 120.0° | 120.0° |
| S24 | C25 | C37 | C38 | 179.2° | 179.9° |
| S24 | C25 | C37 | C26 | 179.7° | 180.0° |
| S24 | C25 | C26 | C27 | 61.7° | 89.9° |
| S24 | C25 | C26 | H14 | 58.2° | 30.1° |
| S24 | C25 | C26 | H15 | 178.3° | 150.1° |
| C38 | C37 | C25 | C26 | 1.1° | 0.0° |
| C37 | C38 | H18 | H19 | 120.0° | 120.0° |
| C37 | C38 | H18 | H20 | 120.0° | 120.0° |
| C37 | C38 | H19 | H20 | 120.0° | 120.0° |
| C37 | C25 | C26 | C27 | 117.9° | 90.1° |
| C37 | C25 | C26 | H14 | 122.1° | 150.0° |
| C37 | C25 | C26 | H15 | 2.0° | 30.0° |
| C25 | C37 | C38 | H18 | 90.2° | 83.1° |
| C25 | C37 | C38 | H19 | 29.8° | 156.9° |
| C25 | C37 | C38 | H20 | 149.8° | 36.9° |
| C25 | C26 | C27 | H14 | 120.0° | 120.0° |
| C25 | C26 | C27 | H15 | 120.0° | 120.0° |
| C25 | C26 | C27 | O28 | 177.5° | 180.0° |
| C25 | C26 | H14 | H15 | 120.1° | 120.1° |
| C25 | C26 | C27 | H16 | 62.9° | 60.0° |
| C25 | C26 | C27 | H17 | 57.9° | 60.0° |
| C26 | C27 | O28 | H16 | 119.6° | 120.0° |
| C26 | C27 | O28 | H17 | 119.6° | 120.0° |
| C26 | C27 | O28 | P29 | 161.2° | 179.9° |
| C27 | C26 | H14 | H15 | 120.1° | 120.0° |
| C26 | C27 | H16 | H17 | 121.2° | 120.1° |
| C27 | O28 | P29 | O31 | 66.4° | 175.0° |
| C27 | O28 | P29 | O36 | 52.0° | 55.0° |
| C27 | O28 | P29 | O30 | 173.7° | 65.0° |
| O28 | C27 | C26 | H14 | 57.5° | 60.0° |
| O28 | C27 | C26 | H15 | 62.5° | 60.0° |
| O28 | C27 | H16 | H17 | 121.2° | 120.0° |
| O35 | P32 | O31 | O33 | 117.7° | 120.0° |
| O35 | P32 | O31 | O34 | 122.0° | 120.0° |
| O35 | P32 | O31 | P29 | 111.0° | 39.9° |
| O35 | P32 | O33 | O34 | 122.2° | 120.0° |
| O35 | P32 | O33 | H35 | 0.0° | 180.0° |
| O35 | P32 | O34 | H36 | 0.0° | 60.0° |
| O28 | P29 | O31 | P32 | 81.5° | 160.0° |
| O28 | P29 | O31 | O36 | 119.2° | 120.0° |
| O28 | P29 | O31 | O30 | 118.7° | 120.0° |
| O28 | P29 | O36 | O30 | 120.4° | 120.0° |
| P29 | O28 | C27 | H16 | 79.2° | 60.0° |
| P29 | O28 | C27 | H17 | 41.6° | 60.0° |
| O28 | P29 | O30 | H34 | 121.2° | 60.0° |
| O31 | P32 | O33 | O34 | 121.3° | 120.0° |
| P32 | O31 | P29 | O36 | 159.3° | 40.1° |
| P32 | O31 | P29 | O30 | 37.3° | 79.9° |
| O31 | P32 | O33 | H35 | 116.5° | 60.1° |
| O31 | P32 | O34 | H36 | 119.7° | 180.0° |
| P29 | O31 | P32 | O33 | 131.3° | 80.1° |
| P29 | O31 | P32 | O34 | 10.9° | 160.0° |
| O31 | P29 | O36 | O30 | 121.8° | 120.0° |
| O31 | P29 | O30 | H34 | 120.7° | 60.0° |
| O33 | P32 | O34 | H36 | 121.0° | 60.1° |
| O34 | P32 | O33 | H35 | 122.2° | 59.9° |
| O36 | P29 | O30 | H34 | 0.0° | 180.0° |
| H1 | C10 | C09 | H9 | 76.8° | 175.1° |
| H2 | C10 | C09 | H9 | 163.3° | 65.0° |
| H3 | C13 | C12 | H10 | 0.1° | 0.3° |
| H3 | C13 | C14 | H11 | 0.1° | 0.0° |
| H4 | C15 | C14 | H11 | 0.1° | 0.0° |
| H4 | C15 | C16 | H12 | 0.1° | 0.5° |
| H5 | C04 | C05 | H7 | 74.6° | 60.1° |
| H5 | C04 | C05 | H8 | 166.2° | 180.0° |
| H6 | C04 | C05 | H7 | 45.6° | 180.0° |
| H6 | C04 | C05 | H8 | 73.6° | 60.1° |
| H14 | C26 | C27 | H16 | 177.1° | 179.9° |
| H14 | C26 | C27 | H17 | 62.1° | 60.0° |
| H15 | C26 | C27 | H16 | 57.1° | 60.0° |
| H15 | C26 | C27 | H17 | 177.8° | 179.9° |
| H18 | C38 | H19 | H20 | 120.0° | 120.0° |
| H24 | C45 | H25 | H26 | 120.0° | 119.9° |
| H27 | C49 | H28 | H29 | 120.0° | 120.1° |
