A1A7T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.53Å | 1.66Å | |
| C13 | C46 | sing | 1.55Å | 1.60Å | |
| C13 | O12 | sing | 1.44Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.61Å | |
| C24 | O23 | sing | 1.43Å | 1.34Å | |
| C02 | C07 | doub | 1.41Å | 1.47Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.42Å | |
| C02 | N03 | sing | 1.33Å | 1.39Å | Aromatic |
| C04 | N03 | doub | 1.32Å | 1.40Å | Aromatic |
| C04 | N05 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.44Å | Aromatic |
| C06 | N05 | doub | 1.33Å | 1.38Å | Aromatic |
| C06 | N10 | sing | 1.37Å | 1.42Å | Aromatic |
| C07 | N08 | sing | 1.35Å | 1.43Å | Aromatic |
| C09 | N08 | doub | 1.30Å | 1.35Å | Aromatic |
| C09 | N10 | sing | 1.36Å | 1.41Å | Aromatic |
| C11 | C48 | sing | 1.54Å | 1.55Å | |
| C11 | N10 | sing | 1.47Å | 1.51Å | |
| C11 | O12 | sing | 1.44Å | 1.43Å | |
| C14 | O15 | sing | 1.43Å | 1.36Å | |
| C25 | C44 | sing | 1.55Å | 1.52Å | |
| C25 | O26 | sing | 1.44Å | 1.53Å | |
| C27 | C42 | sing | 1.54Å | 1.59Å | |
| C27 | O26 | sing | 1.44Å | 1.36Å | |
| C29 | C30 | doub | 1.38Å | 1.44Å | Aromatic |
| C29 | N28 | sing | 1.32Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.39Å | 1.45Å | Aromatic |
| C32 | C41 | sing | 1.39Å | 1.44Å | Aromatic |
| C32 | N33 | sing | 1.40Å | 1.48Å | |
| C34 | C36 | sing | 1.47Å | 1.58Å | |
| C34 | N33 | sing | 1.35Å | 1.50Å | |
| C34 | O35 | doub | 1.22Å | 1.22Å | |
| C36 | C37 | doub | 1.37Å | 1.37Å | Aromatic |
| C36 | S40 | sing | 1.76Å | 1.81Å | Aromatic |
| C37 | C38 | sing | 1.37Å | 1.50Å | Aromatic |
| C38 | C39 | doub | 1.34Å | 1.36Å | Aromatic |
| C39 | S40 | sing | 1.71Å | 1.79Å | Aromatic |
| C41 | N28 | doub | 1.32Å | 1.41Å | Aromatic |
| C42 | C44 | sing | 1.54Å | 1.59Å | |
| C42 | O43 | sing | 1.43Å | 1.39Å | |
| C44 | O45 | sing | 1.43Å | 1.39Å | |
| C46 | C48 | sing | 1.55Å | 1.57Å | |
| C46 | O47 | sing | 1.43Å | 1.39Å | |
| C48 | O49 | sing | 1.43Å | 1.40Å | |
| O15 | P16 | sing | 1.61Å | 1.85Å | |
| O17 | P16 | doub | 1.48Å | 1.48Å | |
| O18 | P16 | sing | 1.61Å | 1.49Å | |
| O19 | P16 | sing | 1.61Å | 1.75Å | |
| O19 | P20 | sing | 1.61Å | 1.67Å | |
| O21 | P20 | doub | 1.48Å | 1.49Å | |
| O22 | P20 | sing | 1.61Å | 1.49Å | |
| O23 | P20 | sing | 1.61Å | 1.90Å | |
| C27 | N28 | sing | 1.47Å | 1.70Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C37 | H14 | sing | 1.08Å | 1.08Å | |
| C38 | H15 | sing | 1.08Å | 1.08Å | |
| C39 | H16 | sing | 1.08Å | 1.08Å | |
| C41 | H17 | sing | 1.08Å | 1.08Å | |
| C42 | H18 | sing | 1.09Å | 1.10Å | |
| C44 | H19 | sing | 1.09Å | 1.10Å | |
| C46 | H20 | sing | 1.09Å | 1.10Å | |
| C48 | H21 | sing | 1.09Å | 1.10Å | |
| N01 | H22 | sing | 0.97Å | 1.00Å | |
| N01 | H23 | sing | 0.97Å | 1.00Å | |
| N33 | H24 | sing | 0.97Å | 1.00Å | |
| O18 | H25 | sing | 0.97Å | 0.95Å | |
| O22 | H26 | sing | 0.97Å | 0.95Å | |
| O43 | H27 | sing | 0.97Å | 0.95Å | |
| O45 | H28 | sing | 0.97Å | 0.95Å | |
| O47 | H29 | sing | 0.97Å | 0.95Å | |
| O49 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C46 | 114.8° | 110.4° |
| C14 | C13 | O12 | 113.5° | 110.4° |
| C13 | C14 | O15 | 113.1° | 109.5° |
| C14 | C13 | H1 | 108.1° | 110.3° |
| C13 | C14 | H7 | 108.6° | 109.5° |
| C13 | C14 | H8 | 108.6° | 109.4° |
| C46 | C13 | O12 | 100.7° | 104.8° |
| C13 | C46 | C48 | 108.0° | 104.1° |
| C13 | C46 | O47 | 110.7° | 110.5° |
| C46 | C13 | H1 | 108.7° | 110.4° |
| C13 | C46 | H20 | 109.3° | 110.4° |
| C13 | O12 | C11 | 113.5° | 105.3° |
| O12 | C13 | H1 | 110.8° | 110.4° |
| C25 | C24 | O23 | 111.7° | 109.4° |
| C24 | C25 | C44 | 109.6° | 110.3° |
| C24 | C25 | O26 | 113.3° | 110.4° |
| C25 | C24 | H2 | 108.9° | 109.5° |
| C25 | C24 | H3 | 108.9° | 109.5° |
| C24 | C25 | H9 | 109.2° | 110.4° |
| C24 | O23 | P20 | 120.8° | 123.0° |
| O23 | C24 | H2 | 108.9° | 109.5° |
| O23 | C24 | H3 | 108.9° | 109.4° |
| C07 | C02 | N01 | 125.2° | 120.8° |
| C07 | C02 | N03 | 114.7° | 118.4° |
| C02 | C07 | C06 | 120.3° | 118.1° |
| C02 | C07 | N08 | 132.6° | 134.7° |
| N01 | C02 | N03 | 120.1° | 120.8° |
| C02 | N01 | H22 | 109.5° | 120.0° |
| C02 | N01 | H23 | 109.5° | 120.1° |
| C02 | N03 | C04 | 120.0° | 121.2° |
| N03 | C04 | N05 | 128.5° | 122.4° |
| N03 | C04 | H4 | 115.7° | 118.7° |
| C04 | N05 | C06 | 113.4° | 120.6° |
| N05 | C04 | H4 | 115.8° | 118.8° |
| C07 | C06 | N05 | 123.1° | 119.1° |
| C07 | C06 | N10 | 107.2° | 106.0° |
| C06 | C07 | N08 | 107.2° | 107.2° |
| N05 | C06 | N10 | 129.6° | 134.9° |
| C06 | N10 | C09 | 106.6° | 107.5° |
| C06 | N10 | C11 | 129.6° | 126.3° |
| C07 | N08 | C09 | 108.0° | 109.5° |
| N08 | C09 | N10 | 111.0° | 109.9° |
| N08 | C09 | H5 | 124.5° | 125.0° |
| C09 | N10 | C11 | 123.8° | 126.2° |
| N10 | C09 | H5 | 124.5° | 125.0° |
| C48 | C11 | N10 | 107.1° | 110.4° |
| C48 | C11 | O12 | 109.5° | 104.8° |
| C11 | C48 | C46 | 96.7° | 104.1° |
| C11 | C48 | O49 | 110.1° | 110.5° |
| C48 | C11 | H6 | 108.6° | 110.4° |
| C11 | C48 | H21 | 110.1° | 110.5° |
| N10 | C11 | O12 | 112.2° | 110.4° |
| N10 | C11 | H6 | 109.2° | 110.3° |
| O12 | C11 | H6 | 110.2° | 110.5° |
| C14 | O15 | P16 | 122.0° | 123.0° |
| O15 | C14 | H7 | 108.6° | 109.5° |
| O15 | C14 | H8 | 108.6° | 109.4° |
| C44 | C25 | O26 | 104.0° | 104.8° |
| C25 | C44 | C42 | 100.2° | 104.1° |
| C25 | C44 | O45 | 109.1° | 110.5° |
| C44 | C25 | H9 | 110.4° | 110.4° |
| C25 | C44 | H19 | 109.6° | 110.5° |
| C25 | O26 | C27 | 113.1° | 105.3° |
| O26 | C25 | H9 | 110.3° | 110.5° |
| C42 | C27 | O26 | 104.9° | 104.8° |
| C27 | C42 | C44 | 105.5° | 104.1° |
| C27 | C42 | O43 | 108.3° | 110.5° |
| C42 | C27 | N28 | 111.7° | 110.4° |
| C42 | C27 | H10 | 110.3° | 110.4° |
| C27 | C42 | H18 | 110.9° | 110.6° |
| O26 | C27 | N28 | 106.7° | 110.3° |
| O26 | C27 | H10 | 114.0° | 110.4° |
| C30 | C29 | N28 | 119.4° | 120.9° |
| C29 | C30 | C31 | 119.9° | 119.3° |
| C30 | C29 | H11 | 120.3° | 119.6° |
| C29 | C30 | H12 | 120.1° | 120.4° |
| C29 | N28 | C41 | 121.3° | 121.8° |
| C29 | N28 | C27 | 120.2° | 119.1° |
| N28 | C29 | H11 | 120.3° | 119.5° |
| C30 | C31 | C32 | 122.1° | 118.4° |
| C31 | C30 | H12 | 120.1° | 120.4° |
| C30 | C31 | H13 | 118.9° | 120.8° |
| C31 | C32 | C41 | 114.6° | 119.0° |
| C31 | C32 | N33 | 122.9° | 120.5° |
| C32 | C31 | H13 | 118.9° | 120.8° |
| C41 | C32 | N33 | 122.5° | 120.5° |
| C32 | C41 | N28 | 122.8° | 120.7° |
| C32 | C41 | H17 | 118.6° | 119.6° |
| C32 | N33 | C34 | 128.3° | 120.0° |
| C32 | N33 | H24 | 115.9° | 120.0° |
| C36 | C34 | N33 | 123.3° | 120.0° |
| C36 | C34 | O35 | 120.5° | 120.0° |
| C34 | C36 | C37 | 129.0° | 125.5° |
| C34 | C36 | S40 | 125.0° | 125.4° |
| N33 | C34 | O35 | 116.3° | 120.0° |
| C34 | N33 | H24 | 115.8° | 120.0° |
| C37 | C36 | S40 | 106.0° | 109.1° |
| C36 | C37 | C38 | 115.6° | 113.3° |
| C36 | C37 | H14 | 122.2° | 123.3° |
| C36 | S40 | C39 | 95.8° | 91.6° |
| C37 | C38 | C39 | 115.5° | 115.1° |
| C38 | C37 | H14 | 122.2° | 123.4° |
| C37 | C38 | H15 | 122.3° | 122.4° |
| C38 | C39 | S40 | 107.1° | 110.9° |
| C39 | C38 | H15 | 122.3° | 122.4° |
| C38 | C39 | H16 | 126.5° | 124.5° |
| S40 | C39 | H16 | 126.4° | 124.6° |
| C41 | N28 | C27 | 118.5° | 119.1° |
| N28 | C41 | H17 | 118.6° | 119.7° |
| C44 | C42 | O43 | 106.4° | 110.5° |
| C42 | C44 | O45 | 116.8° | 110.5° |
| C44 | C42 | H18 | 111.0° | 110.5° |
| C42 | C44 | H19 | 108.8° | 110.6° |
| O43 | C42 | H18 | 114.2° | 110.5° |
| C42 | O43 | H27 | 109.5° | 114.0° |
| O45 | C44 | H19 | 111.6° | 110.5° |
| C44 | O45 | H28 | 109.5° | 114.0° |
| C48 | C46 | O47 | 106.6° | 110.5° |
| C46 | C48 | O49 | 116.6° | 110.5° |
| C48 | C46 | H20 | 109.7° | 110.5° |
| C46 | C48 | H21 | 109.8° | 110.5° |
| O47 | C46 | H20 | 112.4° | 110.6° |
| C46 | O47 | H29 | 109.5° | 114.0° |
| O49 | C48 | H21 | 112.4° | 110.6° |
| C48 | O49 | H30 | 109.5° | 114.0° |
| O15 | P16 | O17 | 106.8° | 109.5° |
| O15 | P16 | O18 | 104.8° | 109.5° |
| O15 | P16 | O19 | 107.2° | 109.5° |
| O17 | P16 | O18 | 119.4° | 109.5° |
| O17 | P16 | O19 | 106.5° | 109.5° |
| O18 | P16 | O19 | 111.5° | 109.4° |
| P16 | O18 | H25 | 109.5° | 114.0° |
| P16 | O19 | P20 | 123.6° | 134.0° |
| O19 | P20 | O21 | 112.9° | 109.4° |
| O19 | P20 | O22 | 112.7° | 109.5° |
| O19 | P20 | O23 | 109.7° | 109.5° |
| O21 | P20 | O22 | 117.4° | 109.5° |
| O21 | P20 | O23 | 100.2° | 109.5° |
| O22 | P20 | O23 | 102.3° | 109.5° |
| P20 | O22 | H26 | 109.5° | 114.1° |
| N28 | C27 | H10 | 109.1° | 110.4° |
| H2 | C24 | H3 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.4° | 109.4° |
| H22 | N01 | H23 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C46 | O12 | 122.3° | 118.9° |
| C14 | C13 | C46 | H1 | 121.2° | 122.3° |
| C14 | C13 | O12 | H1 | 121.9° | 122.2° |
| C14 | C13 | O12 | C11 | 118.9° | 159.4° |
| C13 | C14 | O15 | H7 | 120.6° | 120.1° |
| C13 | C14 | O15 | H8 | 120.6° | 120.0° |
| C14 | C13 | C46 | C48 | 97.9° | 142.8° |
| C14 | C13 | C46 | O47 | 145.8° | 98.5° |
| C13 | C14 | O15 | P16 | 124.1° | 180.0° |
| C13 | C14 | H7 | H8 | 118.3° | 120.0° |
| C14 | C13 | C46 | H20 | 21.4° | 24.2° |
| C46 | C13 | O12 | H1 | 114.9° | 118.8° |
| C13 | C46 | C48 | C11 | 32.7° | 0.0° |
| C46 | C13 | O12 | C11 | 4.3° | 40.5° |
| C46 | C13 | C14 | O15 | 4.6° | 175.0° |
| C13 | C46 | C48 | O47 | 119.0° | 118.6° |
| C13 | C46 | C48 | H20 | 119.1° | 118.6° |
| C13 | C46 | O47 | H20 | 122.6° | 122.6° |
| C13 | C46 | C48 | O49 | 149.2° | 118.6° |
| C46 | C13 | C14 | H7 | 116.0° | 55.0° |
| C46 | C13 | C14 | H8 | 125.2° | 65.0° |
| C13 | C46 | C48 | H21 | 81.5° | 118.6° |
| C13 | C46 | O47 | H29 | 180.0° | 180.0° |
| C13 | O12 | C11 | C48 | 17.7° | 40.5° |
| C13 | O12 | C11 | N10 | 136.5° | 159.3° |
| O12 | C13 | C14 | O15 | 119.7° | 69.6° |
| O12 | C13 | C46 | C48 | 24.4° | 23.9° |
| O12 | C13 | C46 | O47 | 91.9° | 142.6° |
| C13 | O12 | C11 | H6 | 101.7° | 78.4° |
| O12 | C13 | C14 | H7 | 0.8° | 170.4° |
| O12 | C13 | C14 | H8 | 119.7° | 50.4° |
| O12 | C13 | C46 | H20 | 143.7° | 94.7° |
| C25 | C24 | O23 | H2 | 120.4° | 120.0° |
| C25 | C24 | O23 | H3 | 120.4° | 120.0° |
| C24 | C25 | C44 | O26 | 121.4° | 118.8° |
| C24 | C25 | C44 | H9 | 120.3° | 122.2° |
| C24 | C25 | O26 | H9 | 122.7° | 122.4° |
| C24 | C25 | O26 | C27 | 146.9° | 159.3° |
| C24 | C25 | C44 | C42 | 155.3° | 142.8° |
| C24 | C25 | C44 | O45 | 81.5° | 98.5° |
| C25 | C24 | O23 | P20 | 111.7° | 180.0° |
| C25 | C24 | H2 | H3 | 119.0° | 120.1° |
| C24 | C25 | C44 | H19 | 41.0° | 24.1° |
| O23 | C24 | C25 | C44 | 84.5° | 175.1° |
| O23 | C24 | C25 | O26 | 31.2° | 69.6° |
| C24 | O23 | P20 | O19 | 65.9° | 175.0° |
| C24 | O23 | P20 | O21 | 53.1° | 55.1° |
| C24 | O23 | P20 | O22 | 174.2° | 65.0° |
| O23 | C24 | H2 | H3 | 118.9° | 119.9° |
| O23 | C24 | C25 | H9 | 154.5° | 52.8° |
| C07 | C02 | N01 | N03 | 179.9° | 179.7° |
| C07 | C02 | N03 | C04 | 0.0° | 0.0° |
| C02 | C07 | C06 | N08 | 180.0° | 180.0° |
| C02 | C07 | C06 | N05 | 0.0° | 0.5° |
| C02 | C07 | C06 | N10 | 179.9° | 180.0° |
| C02 | C07 | N08 | C09 | 180.0° | 180.0° |
| C07 | C02 | N01 | H22 | 179.9° | 0.0° |
| C07 | C02 | N01 | H23 | 59.9° | 180.0° |
| N01 | C02 | N03 | C04 | 180.0° | 179.7° |
| N01 | C02 | C07 | C06 | 180.0° | 180.0° |
| N01 | C02 | C07 | N08 | 0.1° | 0.1° |
| C02 | N01 | H22 | H23 | 120.0° | 180.0° |
| C02 | N03 | C04 | N05 | 0.0° | 0.0° |
| N03 | C02 | C07 | C06 | 0.0° | 0.3° |
| N03 | C02 | C07 | N08 | 180.0° | 179.8° |
| C02 | N03 | C04 | H4 | 180.0° | 180.0° |
| N03 | C02 | N01 | H22 | 0.0° | 179.8° |
| N03 | C02 | N01 | H23 | 120.0° | 0.3° |
| N03 | C04 | N05 | H4 | 180.0° | 180.0° |
| N03 | C04 | N05 | C06 | 0.0° | 0.3° |
| C04 | N05 | C06 | C07 | 0.0° | 0.6° |
| C04 | N05 | C06 | N10 | 179.9° | 179.8° |
| C07 | C06 | N05 | N10 | 179.9° | 179.3° |
| C06 | C07 | N08 | C09 | 0.0° | 0.0° |
| C07 | C06 | N10 | C09 | 0.2° | 0.0° |
| C07 | C06 | N10 | C11 | 179.8° | 180.0° |
| N05 | C06 | C07 | N08 | 180.0° | 179.5° |
| N05 | C06 | N10 | C09 | 179.9° | 179.4° |
| N05 | C06 | N10 | C11 | 0.3° | 0.7° |
| C06 | N05 | C04 | H4 | 180.0° | 179.7° |
| N10 | C06 | C07 | N08 | 0.1° | 0.0° |
| C06 | N10 | C09 | N08 | 0.2° | 0.0° |
| C06 | N10 | C09 | C11 | 179.7° | 180.0° |
| C06 | N10 | C11 | C48 | 151.5° | 85.0° |
| C06 | N10 | C11 | O12 | 88.3° | 159.6° |
| C06 | N10 | C09 | H5 | 179.9° | 180.0° |
| C06 | N10 | C11 | H6 | 34.1° | 37.2° |
| C07 | N08 | C09 | N10 | 0.1° | 0.0° |
| C07 | N08 | C09 | H5 | 179.9° | 179.9° |
| N08 | C09 | N10 | H5 | 180.0° | 180.0° |
| N08 | C09 | N10 | C11 | 179.8° | 180.0° |
| C09 | N10 | C11 | C48 | 28.9° | 95.0° |
| C09 | N10 | C11 | O12 | 91.3° | 20.4° |
| C09 | N10 | C11 | H6 | 146.3° | 142.7° |
| C48 | C11 | N10 | O12 | 120.2° | 115.4° |
| C48 | C11 | N10 | H6 | 117.4° | 122.2° |
| C48 | C11 | O12 | H6 | 119.4° | 118.9° |
| C11 | C48 | C46 | O49 | 116.5° | 118.6° |
| C11 | C48 | C46 | H21 | 114.2° | 118.6° |
| C11 | C48 | C46 | O47 | 86.3° | 118.6° |
| C11 | C48 | O49 | H21 | 123.1° | 122.7° |
| C11 | C48 | C46 | H20 | 151.8° | 118.6° |
| C11 | C48 | O49 | H30 | 180.0° | 180.0° |
| N10 | C11 | O12 | H6 | 121.8° | 122.3° |
| N10 | C11 | C48 | C46 | 152.3° | 142.8° |
| N10 | C11 | C48 | O49 | 86.2° | 98.6° |
| C11 | N10 | C09 | H5 | 0.2° | 0.1° |
| N10 | C11 | C48 | H21 | 38.2° | 24.2° |
| O12 | C11 | C48 | C46 | 30.4° | 24.0° |
| O12 | C11 | C48 | O49 | 151.9° | 142.6° |
| C11 | O12 | C13 | H1 | 119.2° | 78.4° |
| O12 | C11 | C48 | H21 | 83.6° | 94.7° |
| C14 | O15 | P16 | O17 | 11.9° | 55.0° |
| C14 | O15 | P16 | O18 | 115.7° | 65.0° |
| C14 | O15 | P16 | O19 | 125.6° | 175.0° |
| O15 | C14 | C13 | H1 | 116.9° | 52.7° |
| O15 | C14 | H7 | H8 | 118.4° | 120.0° |
| C44 | C25 | O26 | H9 | 118.3° | 118.9° |
| C25 | C44 | C42 | C27 | 30.6° | 0.0° |
| C44 | C25 | O26 | C27 | 27.9° | 40.6° |
| C25 | C44 | C42 | O45 | 117.6° | 118.6° |
| C25 | C44 | C42 | H19 | 115.0° | 118.7° |
| C25 | C44 | C42 | O43 | 84.3° | 118.6° |
| C25 | C44 | O45 | H19 | 121.3° | 122.6° |
| C44 | C25 | C24 | H2 | 155.2° | 55.0° |
| C44 | C25 | C24 | H3 | 35.9° | 65.0° |
| C25 | C44 | C42 | H18 | 150.8° | 118.7° |
| C25 | C44 | O45 | H28 | 180.0° | 180.0° |
| C25 | O26 | C27 | C42 | 7.3° | 40.6° |
| O26 | C25 | C44 | C42 | 33.9° | 24.0° |
| O26 | C25 | C44 | O45 | 157.1° | 142.7° |
| C25 | O26 | C27 | N28 | 125.9° | 159.4° |
| O26 | C25 | C24 | H2 | 89.1° | 170.4° |
| O26 | C25 | C24 | H3 | 151.6° | 50.3° |
| C25 | O26 | C27 | H10 | 113.6° | 78.3° |
| O26 | C25 | C44 | H19 | 80.4° | 94.7° |
| C42 | C27 | O26 | N28 | 118.6° | 118.8° |
| C42 | C27 | O26 | H10 | 120.9° | 118.9° |
| C42 | C27 | N28 | C29 | 70.9° | 79.9° |
| C42 | C27 | N28 | C41 | 109.1° | 100.0° |
| C27 | C42 | C44 | O43 | 114.9° | 118.6° |
| C27 | C42 | C44 | H18 | 120.2° | 118.7° |
| C27 | C42 | O43 | H18 | 124.2° | 122.7° |
| C27 | C42 | C44 | O45 | 148.2° | 118.6° |
| C42 | C27 | N28 | H10 | 122.2° | 122.3° |
| C27 | C42 | C44 | H19 | 84.4° | 118.7° |
| C27 | C42 | O43 | H27 | 180.0° | 180.0° |
| O26 | C27 | N28 | C29 | 175.0° | 35.4° |
| O26 | C27 | N28 | C41 | 5.1° | 144.7° |
| O26 | C27 | C42 | C44 | 15.1° | 24.0° |
| O26 | C27 | C42 | O43 | 98.5° | 142.7° |
| O26 | C27 | N28 | H10 | 123.6° | 122.3° |
| C27 | O26 | C25 | H9 | 90.4° | 78.3° |
| O26 | C27 | C42 | H18 | 135.4° | 94.6° |
| C30 | C29 | N28 | H11 | 180.0° | 179.8° |
| C29 | C30 | C31 | H12 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C30 | C29 | N28 | C41 | 0.0° | 0.1° |
| C30 | C29 | N28 | C27 | 179.9° | 180.0° |
| C29 | C30 | C31 | H13 | 179.9° | 180.0° |
| N28 | C29 | C30 | C31 | 0.1° | 0.1° |
| C29 | N28 | C41 | C32 | 0.0° | 0.1° |
| C29 | N28 | C41 | C27 | 180.0° | 179.9° |
| C29 | N28 | C27 | H10 | 51.3° | 157.8° |
| N28 | C29 | C30 | H12 | 180.0° | 179.9° |
| C29 | N28 | C41 | H17 | 179.9° | 180.0° |
| C30 | C31 | C32 | H13 | 180.0° | 180.0° |
| C30 | C31 | C32 | C41 | 0.0° | 0.0° |
| C30 | C31 | C32 | N33 | 180.0° | 180.0° |
| C31 | C30 | C29 | H11 | 180.0° | 179.7° |
| C31 | C32 | C41 | N33 | 180.0° | 180.0° |
| C31 | C32 | N33 | C34 | 152.7° | 32.7° |
| C31 | C32 | C41 | N28 | 0.0° | 0.0° |
| C32 | C31 | C30 | H12 | 180.0° | 180.0° |
| C31 | C32 | C41 | H17 | 179.9° | 180.0° |
| C31 | C32 | N33 | H24 | 27.3° | 147.3° |
| C41 | C32 | N33 | C34 | 27.3° | 147.3° |
| C32 | C41 | N28 | H17 | 180.0° | 179.9° |
| C32 | C41 | N28 | C27 | 180.0° | 180.0° |
| C41 | C32 | C31 | H13 | 180.0° | 180.0° |
| C41 | C32 | N33 | H24 | 152.7° | 32.7° |
| C32 | N33 | C34 | C36 | 179.9° | 174.7° |
| C32 | N33 | C34 | H24 | 180.0° | 180.0° |
| C32 | N33 | C34 | O35 | 0.1° | 5.3° |
| N33 | C32 | C41 | N28 | 180.0° | 180.0° |
| N33 | C32 | C31 | H13 | 0.0° | 0.0° |
| N33 | C32 | C41 | H17 | 0.0° | 0.0° |
| C36 | C34 | N33 | O35 | 179.8° | 180.0° |
| C34 | C36 | C37 | S40 | 179.9° | 179.7° |
| C34 | C36 | C37 | C38 | 179.9° | 180.0° |
| C34 | C36 | S40 | C39 | 179.9° | 179.9° |
| C34 | C36 | C37 | H14 | 0.1° | 0.1° |
| C36 | C34 | N33 | H24 | 0.1° | 5.3° |
| N33 | C34 | C36 | C37 | 3.7° | 180.0° |
| N33 | C34 | C36 | S40 | 176.1° | 0.3° |
| O35 | C34 | C36 | C37 | 176.5° | 0.0° |
| O35 | C34 | C36 | S40 | 3.7° | 179.7° |
| O35 | C34 | N33 | H24 | 180.0° | 174.7° |
| C36 | C37 | C38 | H14 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.0° | 0.1° |
| C37 | C36 | S40 | C39 | 0.1° | 0.4° |
| C36 | C37 | C38 | H15 | 180.0° | 179.9° |
| S40 | C36 | C37 | C38 | 0.1° | 0.3° |
| C36 | S40 | C39 | C38 | 0.0° | 0.3° |
| S40 | C36 | C37 | H14 | 179.9° | 179.8° |
| C36 | S40 | C39 | H16 | 179.9° | 179.8° |
| C37 | C38 | C39 | H15 | 180.0° | 180.0° |
| C37 | C38 | C39 | S40 | 0.0° | 0.2° |
| C37 | C38 | C39 | H16 | 180.0° | 180.0° |
| C38 | C39 | S40 | H16 | 180.0° | 179.8° |
| C39 | C38 | C37 | H14 | 179.9° | 179.9° |
| S40 | C39 | C38 | H15 | 180.0° | 179.8° |
| C41 | N28 | C27 | H10 | 128.7° | 22.3° |
| C41 | N28 | C29 | H11 | 180.0° | 179.7° |
| C44 | C42 | O43 | H18 | 122.9° | 122.6° |
| C42 | C44 | O45 | H19 | 126.1° | 122.7° |
| C44 | C42 | C27 | N28 | 100.1° | 142.8° |
| C42 | C44 | C25 | H9 | 84.3° | 94.9° |
| C44 | C42 | C27 | H10 | 138.4° | 94.9° |
| C44 | C42 | O43 | H27 | 67.0° | 65.3° |
| C42 | C44 | O45 | H28 | 67.4° | 65.4° |
| O43 | C42 | C44 | O45 | 33.3° | 0.0° |
| O43 | C42 | C27 | N28 | 146.3° | 98.6° |
| O43 | C42 | C27 | H10 | 24.8° | 23.8° |
| O43 | C42 | C44 | H19 | 160.7° | 122.7° |
| O45 | C44 | C25 | H9 | 38.8° | 23.7° |
| O45 | C44 | C42 | H18 | 91.6° | 122.7° |
| C48 | C46 | O47 | H20 | 120.2° | 122.8° |
| C46 | C48 | O49 | H21 | 128.1° | 122.7° |
| C48 | C46 | C13 | H1 | 140.9° | 94.9° |
| C46 | C48 | C11 | H6 | 90.0° | 95.0° |
| C48 | C46 | O47 | H29 | 62.8° | 65.4° |
| C46 | C48 | O49 | H30 | 71.2° | 65.4° |
| O47 | C46 | C48 | O49 | 30.2° | 0.0° |
| O47 | C46 | C13 | H1 | 24.6° | 23.8° |
| O47 | C46 | C48 | H21 | 159.5° | 122.7° |
| O49 | C48 | C11 | H6 | 31.6° | 23.7° |
| O49 | C48 | C46 | H20 | 91.7° | 122.8° |
| O15 | P16 | O17 | O18 | 118.4° | 120.0° |
| O15 | P16 | O17 | O19 | 114.3° | 120.0° |
| O15 | P16 | O18 | O19 | 115.6° | 120.0° |
| O15 | P16 | O19 | P20 | 53.6° | 160.0° |
| P16 | O15 | C14 | H7 | 3.5° | 59.9° |
| P16 | O15 | C14 | H8 | 115.4° | 60.0° |
| O15 | P16 | O18 | H25 | 119.5° | 60.0° |
| O17 | P16 | O18 | O19 | 124.9° | 120.0° |
| O17 | P16 | O19 | P20 | 167.6° | 40.0° |
| O17 | P16 | O18 | H25 | 0.0° | 180.0° |
| O18 | P16 | O19 | P20 | 60.5° | 80.0° |
| P16 | O19 | P20 | O21 | 11.2° | 40.0° |
| P16 | O19 | P20 | O22 | 124.7° | 80.0° |
| P16 | O19 | P20 | O23 | 122.0° | 160.0° |
| O19 | P16 | O18 | H25 | 124.9° | 60.0° |
| O19 | P20 | O21 | O22 | 133.7° | 120.0° |
| O19 | P20 | O21 | O23 | 116.6° | 120.0° |
| O19 | P20 | O22 | O23 | 117.7° | 120.0° |
| O19 | P20 | O22 | H26 | 133.8° | 59.9° |
| O21 | P20 | O22 | O23 | 108.5° | 120.0° |
| O21 | P20 | O22 | H26 | 0.0° | 179.9° |
| P20 | O23 | C24 | H2 | 128.0° | 59.9° |
| P20 | O23 | C24 | H3 | 8.7° | 60.1° |
| O23 | P20 | O22 | H26 | 108.5° | 60.1° |
| C27 | N28 | C29 | H11 | 0.1° | 0.2° |
| C27 | N28 | C41 | H17 | 0.0° | 0.1° |
| N28 | C27 | C42 | H18 | 20.1° | 24.1° |
| H1 | C13 | C14 | H7 | 122.5° | 67.3° |
| H1 | C13 | C14 | H8 | 3.7° | 172.7° |
| H1 | C13 | C46 | H20 | 99.8° | 146.4° |
| H2 | C24 | C25 | H9 | 34.2° | 67.2° |
| H3 | C24 | C25 | H9 | 85.1° | 172.7° |
| H6 | C11 | C48 | H21 | 156.0° | 146.4° |
| H9 | C25 | C44 | H19 | 161.3° | 146.3° |
| H10 | C27 | C42 | H18 | 101.3° | 146.5° |
| H11 | C29 | C30 | H12 | 0.0° | 0.3° |
| H12 | C30 | C31 | H13 | 0.0° | 0.0° |
| H14 | C37 | C38 | H15 | 0.0° | 0.0° |
| H15 | C38 | C39 | H16 | 0.0° | 0.0° |
| H18 | C42 | C44 | H19 | 35.9° | 0.0° |
| H18 | C42 | O43 | H27 | 55.8° | 57.3° |
| H19 | C44 | O45 | H28 | 58.7° | 57.3° |
| H20 | C46 | C48 | H21 | 37.6° | 0.0° |
| H20 | C46 | O47 | H29 | 57.4° | 57.4° |
| H21 | C48 | O49 | H30 | 56.9° | 57.3° |
