AYU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | C35 | sing | 1.43Å | 1.38Å | |
| O34 | C33 | sing | 1.43Å | 1.40Å | |
| C35 | C33 | sing | 1.53Å | 1.58Å | |
| C35 | C24 | sing | 1.53Å | 1.60Å | |
| O22 | P20 | doub | 1.48Å | 1.48Å | |
| O23 | C24 | sing | 1.43Å | 1.32Å | |
| O23 | P20 | sing | 1.61Å | 1.84Å | |
| O17 | P16 | doub | 1.48Å | 1.48Å | |
| C33 | C31 | sing | 1.53Å | 1.55Å | |
| C24 | O25 | sing | 1.43Å | 1.46Å | |
| P20 | O21 | sing | 1.61Å | 1.48Å | |
| P20 | O19 | sing | 1.61Å | 1.64Å | |
| N01 | C02 | sing | 1.38Å | 1.40Å | |
| C31 | O32 | sing | 1.43Å | 1.41Å | |
| C31 | C26 | sing | 1.53Å | 1.61Å | |
| O18 | P16 | sing | 1.61Å | 1.48Å | |
| P16 | O19 | sing | 1.61Å | 1.64Å | |
| P16 | O15 | sing | 1.61Å | 1.78Å | |
| N08 | C09 | doub | 1.30Å | 1.35Å | Aromatic |
| N08 | C07 | sing | 1.35Å | 1.41Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.40Å | |
| C09 | N10 | sing | 1.36Å | 1.43Å | Aromatic |
| C02 | C07 | doub | 1.41Å | 1.46Å | Aromatic |
| C02 | N03 | sing | 1.33Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.41Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.64Å | |
| O28 | C27 | sing | 1.43Å | 1.37Å | |
| O40 | C39 | sing | 1.43Å | 1.38Å | |
| O15 | C14 | sing | 1.43Å | 1.35Å | |
| C39 | C37 | sing | 1.54Å | 1.54Å | |
| C39 | C11 | sing | 1.54Å | 1.57Å | |
| N03 | C04 | doub | 1.32Å | 1.39Å | Aromatic |
| N10 | C06 | sing | 1.37Å | 1.41Å | Aromatic |
| N10 | C11 | sing | 1.46Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.61Å | |
| C06 | N05 | doub | 1.33Å | 1.37Å | Aromatic |
| C37 | C13 | sing | 1.55Å | 1.53Å | |
| C37 | O38 | sing | 1.43Å | 1.39Å | |
| C11 | O12 | sing | 1.44Å | 1.39Å | |
| C04 | N05 | sing | 1.32Å | 1.35Å | Aromatic |
| C29 | O30 | sing | 1.43Å | 1.40Å | |
| C14 | C13 | sing | 1.53Å | 1.58Å | |
| O12 | C13 | sing | 1.44Å | 1.44Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| O18 | H9 | sing | 0.97Å | 0.95Å | |
| O21 | H10 | sing | 0.97Å | 0.95Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| O28 | H14 | sing | 0.97Å | 0.95Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| O30 | H17 | sing | 0.97Å | 0.95Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| O32 | H19 | sing | 0.97Å | 0.95Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| O34 | H21 | sing | 0.97Å | 0.95Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| O36 | H23 | sing | 0.97Å | 0.95Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| O38 | H25 | sing | 0.97Å | 0.95Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| O40 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | C35 | C33 | 110.9° | 109.5° |
| O36 | C35 | C24 | 109.9° | 109.6° |
| O36 | C35 | H22 | 110.8° | 109.6° |
| C35 | O36 | H23 | 109.5° | 114.0° |
| O34 | C33 | C35 | 109.0° | 109.6° |
| O34 | C33 | C31 | 109.7° | 109.5° |
| O34 | C33 | H20 | 111.3° | 109.5° |
| C33 | O34 | H21 | 109.5° | 114.0° |
| C33 | C35 | C24 | 109.4° | 109.1° |
| C35 | C33 | C31 | 109.0° | 109.0° |
| C35 | C33 | H20 | 108.7° | 109.6° |
| C33 | C35 | H22 | 108.0° | 109.5° |
| C35 | C24 | O23 | 109.8° | 109.5° |
| C35 | C24 | O25 | 109.3° | 109.4° |
| C35 | C24 | H11 | 106.6° | 109.5° |
| C24 | C35 | H22 | 107.9° | 109.5° |
| O22 | P20 | O23 | 103.8° | 109.5° |
| O22 | P20 | O21 | 117.2° | 109.5° |
| O22 | P20 | O19 | 109.1° | 109.5° |
| C24 | O23 | P20 | 120.5° | 123.0° |
| O23 | C24 | O25 | 112.5° | 109.5° |
| O23 | C24 | H11 | 110.2° | 109.4° |
| O23 | P20 | O21 | 104.0° | 109.5° |
| O23 | P20 | O19 | 108.7° | 109.4° |
| O17 | P16 | O18 | 118.6° | 109.5° |
| O17 | P16 | O19 | 113.7° | 109.5° |
| O17 | P16 | O15 | 105.4° | 109.4° |
| C33 | C31 | O32 | 108.6° | 109.6° |
| C33 | C31 | C26 | 108.6° | 109.1° |
| C33 | C31 | H18 | 109.3° | 109.6° |
| C31 | C33 | H20 | 109.0° | 109.6° |
| C24 | O25 | C26 | 119.2° | 114.1° |
| O25 | C24 | H11 | 108.2° | 109.5° |
| O21 | P20 | O19 | 113.3° | 109.4° |
| P20 | O21 | H10 | 109.5° | 114.1° |
| P20 | O19 | P16 | 127.0° | 134.0° |
| N01 | C02 | C07 | 125.1° | 120.8° |
| N01 | C02 | N03 | 118.7° | 120.7° |
| C02 | N01 | H1 | 109.5° | 120.0° |
| C02 | N01 | H2 | 109.5° | 120.0° |
| O32 | C31 | C26 | 110.2° | 109.5° |
| O32 | C31 | H18 | 111.4° | 109.5° |
| C31 | O32 | H19 | 109.5° | 114.0° |
| C31 | C26 | O25 | 110.7° | 109.4° |
| C31 | C26 | C27 | 107.4° | 109.5° |
| C31 | C26 | H12 | 108.3° | 109.5° |
| C26 | C31 | H18 | 108.7° | 109.5° |
| O18 | P16 | O19 | 107.5° | 109.5° |
| O18 | P16 | O15 | 101.7° | 109.5° |
| P16 | O18 | H9 | 109.5° | 114.0° |
| O19 | P16 | O15 | 109.1° | 109.4° |
| P16 | O15 | C14 | 123.2° | 123.0° |
| C09 | N08 | C07 | 107.4° | 109.5° |
| N08 | C09 | N10 | 112.6° | 110.0° |
| N08 | C09 | H4 | 123.7° | 125.0° |
| N08 | C07 | C02 | 132.8° | 134.7° |
| N08 | C07 | C06 | 107.1° | 107.2° |
| O25 | C26 | C27 | 111.3° | 109.5° |
| O25 | C26 | H12 | 111.2° | 109.5° |
| C09 | N10 | C06 | 103.8° | 107.4° |
| C09 | N10 | C11 | 126.4° | 126.3° |
| N10 | C09 | H4 | 123.7° | 125.0° |
| C07 | C02 | N03 | 116.2° | 118.5° |
| C02 | C07 | C06 | 120.1° | 118.2° |
| C02 | N03 | C04 | 118.7° | 121.2° |
| C07 | C06 | N10 | 109.0° | 106.0° |
| C07 | C06 | N05 | 122.3° | 119.1° |
| C26 | C27 | O28 | 107.4° | 109.5° |
| C26 | C27 | C29 | 111.4° | 109.5° |
| C27 | C26 | H12 | 107.9° | 109.5° |
| C26 | C27 | H13 | 108.6° | 109.5° |
| O28 | C27 | C29 | 108.1° | 109.5° |
| O28 | C27 | H13 | 112.5° | 109.5° |
| C27 | O28 | H14 | 109.5° | 114.0° |
| O40 | C39 | C37 | 108.0° | 110.5° |
| O40 | C39 | C11 | 111.6° | 110.5° |
| O40 | C39 | H26 | 112.7° | 110.6° |
| C39 | O40 | H27 | 109.5° | 114.0° |
| O15 | C14 | C13 | 108.2° | 109.5° |
| O15 | C14 | H7 | 109.8° | 109.5° |
| O15 | C14 | H8 | 109.8° | 109.5° |
| C37 | C39 | C11 | 104.0° | 104.1° |
| C39 | C37 | C13 | 99.6° | 104.1° |
| C39 | C37 | O38 | 114.5° | 110.6° |
| C39 | C37 | H24 | 110.4° | 110.7° |
| C37 | C39 | H26 | 110.3° | 110.5° |
| C39 | C11 | N10 | 112.6° | 110.4° |
| C39 | C11 | O12 | 101.9° | 104.8° |
| C39 | C11 | H5 | 110.0° | 110.5° |
| C11 | C39 | H26 | 109.9° | 110.5° |
| N03 | C04 | N05 | 128.7° | 122.5° |
| N03 | C04 | H3 | 115.6° | 118.8° |
| C06 | N10 | C11 | 129.9° | 126.3° |
| N10 | C06 | N05 | 128.7° | 134.9° |
| N10 | C11 | O12 | 108.7° | 110.3° |
| N10 | C11 | H5 | 110.6° | 110.3° |
| C27 | C29 | O30 | 109.6° | 109.5° |
| C29 | C27 | H13 | 109.0° | 109.4° |
| C27 | C29 | H15 | 109.4° | 109.5° |
| C27 | C29 | H16 | 109.4° | 109.5° |
| C06 | N05 | C04 | 114.0° | 120.6° |
| C13 | C37 | O38 | 108.4° | 110.5° |
| C37 | C13 | C14 | 108.5° | 110.5° |
| C37 | C13 | O12 | 107.6° | 104.8° |
| C37 | C13 | H6 | 108.7° | 110.3° |
| C13 | C37 | H24 | 110.5° | 110.5° |
| O38 | C37 | H24 | 112.6° | 110.4° |
| C37 | O38 | H25 | 109.5° | 114.0° |
| C11 | O12 | C13 | 113.1° | 105.3° |
| O12 | C11 | H5 | 112.8° | 110.4° |
| N05 | C04 | H3 | 115.6° | 118.7° |
| O30 | C29 | H15 | 109.5° | 109.5° |
| O30 | C29 | H16 | 109.5° | 109.5° |
| C29 | O30 | H17 | 109.5° | 114.1° |
| C14 | C13 | O12 | 114.0° | 110.4° |
| C14 | C13 | H6 | 108.1° | 110.3° |
| C13 | C14 | H7 | 109.8° | 109.5° |
| C13 | C14 | H8 | 109.8° | 109.4° |
| O12 | C13 | H6 | 109.9° | 110.4° |
| H1 | N01 | H2 | 109.5° | 120.0° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H15 | C29 | H16 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | C35 | C33 | O34 | 56.2° | 56.9° |
| O36 | C35 | C33 | C24 | 121.3° | 119.9° |
| O36 | C35 | C33 | H22 | 121.5° | 120.2° |
| O36 | C35 | C24 | H22 | 120.8° | 120.3° |
| O36 | C35 | C24 | O23 | 54.9° | 57.7° |
| O36 | C35 | C33 | C31 | 63.6° | 62.9° |
| O36 | C35 | C24 | O25 | 69.0° | 62.3° |
| O36 | C35 | C24 | H11 | 174.3° | 177.7° |
| O36 | C35 | C33 | H20 | 177.7° | 177.2° |
| O34 | C33 | C35 | C31 | 119.8° | 119.9° |
| O34 | C33 | C35 | H20 | 121.5° | 120.2° |
| O34 | C33 | C35 | C24 | 177.5° | 176.9° |
| O34 | C33 | C31 | H20 | 122.2° | 120.2° |
| O34 | C33 | C31 | O32 | 63.2° | 63.2° |
| O34 | C33 | C31 | C26 | 177.0° | 176.9° |
| O34 | C33 | C31 | H18 | 58.6° | 57.0° |
| O34 | C33 | C35 | H22 | 65.4° | 63.3° |
| C33 | C35 | C24 | H22 | 117.2° | 119.8° |
| C33 | C35 | C24 | O23 | 176.8° | 177.6° |
| C35 | C33 | C31 | H20 | 118.5° | 119.9° |
| C33 | C35 | C24 | O25 | 52.9° | 57.7° |
| C35 | C33 | C31 | O32 | 177.5° | 176.9° |
| C35 | C33 | C31 | C26 | 57.7° | 57.0° |
| C33 | C35 | C24 | H11 | 63.8° | 62.4° |
| C35 | C33 | C31 | H18 | 60.8° | 62.9° |
| C35 | C33 | O34 | H21 | 180.0° | 60.5° |
| C33 | C35 | O36 | H23 | 180.0° | 180.0° |
| C35 | C24 | O23 | O25 | 122.0° | 120.0° |
| C35 | C24 | O23 | H11 | 117.1° | 120.0° |
| C35 | C24 | O23 | P20 | 165.8° | 150.0° |
| C24 | C35 | C33 | C31 | 57.7° | 57.0° |
| C35 | C24 | O25 | H11 | 115.7° | 120.1° |
| C35 | C24 | O25 | C26 | 55.3° | 61.2° |
| C24 | C35 | C33 | H20 | 61.0° | 62.9° |
| C24 | C35 | O36 | H23 | 58.9° | 60.3° |
| O22 | P20 | O23 | C24 | 170.9° | 55.0° |
| O22 | P20 | O23 | O21 | 123.1° | 120.0° |
| O22 | P20 | O23 | O19 | 116.0° | 120.0° |
| O22 | P20 | O21 | O19 | 128.4° | 120.0° |
| O22 | P20 | O19 | P16 | 35.4° | 45.0° |
| O22 | P20 | O21 | H10 | 0.0° | 180.0° |
| O23 | C24 | O25 | H11 | 122.0° | 120.0° |
| C24 | O23 | P20 | O21 | 47.8° | 65.1° |
| C24 | O23 | P20 | O19 | 73.1° | 175.0° |
| O23 | C24 | O25 | C26 | 177.6° | 178.8° |
| O23 | C24 | C35 | H22 | 65.9° | 62.5° |
| P20 | O23 | C24 | O25 | 72.2° | 90.0° |
| O23 | P20 | O21 | O19 | 117.8° | 120.0° |
| O23 | P20 | O19 | P16 | 77.1° | 165.1° |
| O23 | P20 | O21 | H10 | 113.8° | 59.9° |
| P20 | O23 | C24 | H11 | 48.7° | 30.0° |
| O17 | P16 | O19 | P20 | 46.4° | 40.1° |
| O17 | P16 | O18 | O19 | 130.6° | 120.0° |
| O17 | P16 | O18 | O15 | 114.9° | 120.0° |
| O17 | P16 | O19 | O15 | 117.3° | 120.0° |
| O17 | P16 | O15 | C14 | 173.9° | 55.0° |
| O17 | P16 | O18 | H9 | 0.0° | 180.0° |
| C33 | C31 | O32 | C26 | 118.9° | 119.7° |
| C33 | C31 | O32 | H18 | 120.4° | 120.2° |
| C33 | C31 | C26 | H18 | 118.8° | 120.0° |
| C33 | C31 | C26 | O25 | 55.5° | 57.6° |
| C33 | C31 | C26 | C27 | 177.1° | 177.6° |
| C33 | C31 | C26 | H12 | 66.6° | 62.4° |
| C33 | C31 | O32 | H19 | 180.0° | 60.3° |
| C31 | C33 | O34 | H21 | 60.7° | 180.0° |
| C31 | C33 | C35 | H22 | 174.9° | 176.8° |
| C24 | O25 | C26 | C31 | 56.5° | 61.2° |
| C24 | O25 | C26 | C27 | 175.7° | 178.9° |
| C24 | O25 | C26 | H12 | 63.9° | 58.9° |
| O25 | C24 | C35 | H22 | 170.2° | 177.5° |
| O21 | P20 | O19 | P16 | 167.9° | 75.0° |
| P20 | O19 | P16 | O18 | 86.9° | 80.0° |
| P20 | O19 | P16 | O15 | 163.7° | 160.0° |
| O19 | P20 | O21 | H10 | 128.3° | 60.0° |
| N01 | C02 | C07 | N08 | 0.1° | 0.1° |
| N01 | C02 | C07 | N03 | 180.0° | 179.7° |
| N01 | C02 | C07 | C06 | 180.0° | 179.7° |
| N01 | C02 | N03 | C04 | 179.7° | 180.0° |
| C02 | N01 | H1 | H2 | 120.0° | 179.8° |
| O32 | C31 | C26 | H18 | 122.3° | 120.1° |
| O32 | C31 | C26 | O25 | 174.3° | 177.6° |
| O32 | C31 | C26 | C27 | 64.0° | 62.5° |
| O32 | C31 | C26 | H12 | 52.3° | 57.5° |
| O32 | C31 | C33 | H20 | 59.0° | 57.0° |
| C31 | C26 | O25 | C27 | 119.3° | 120.0° |
| C31 | C26 | O25 | H12 | 120.4° | 120.0° |
| C31 | C26 | C27 | H12 | 116.5° | 120.0° |
| C31 | C26 | C27 | O28 | 48.6° | 55.0° |
| C31 | C26 | C27 | C29 | 166.8° | 175.0° |
| C31 | C26 | C27 | H13 | 73.2° | 65.0° |
| C26 | C31 | O32 | H19 | 61.1° | 180.0° |
| C26 | C31 | C33 | H20 | 60.8° | 62.9° |
| O18 | P16 | O19 | O15 | 109.5° | 120.0° |
| O18 | P16 | O15 | C14 | 49.6° | 65.0° |
| O19 | P16 | O15 | C14 | 63.7° | 175.0° |
| O19 | P16 | O18 | H9 | 130.5° | 59.9° |
| P16 | O15 | C14 | C13 | 145.8° | 180.0° |
| P16 | O15 | C14 | H7 | 26.0° | 60.0° |
| P16 | O15 | C14 | H8 | 94.4° | 60.1° |
| O15 | P16 | O18 | H9 | 114.9° | 60.1° |
| N08 | C09 | N10 | H4 | 180.0° | 179.5° |
| C09 | N08 | C07 | C02 | 180.0° | 179.9° |
| C09 | N08 | C07 | C06 | 0.1° | 0.3° |
| N08 | C09 | N10 | C06 | 0.3° | 0.6° |
| N08 | C09 | N10 | C11 | 179.4° | 180.0° |
| C07 | N08 | C09 | N10 | 0.2° | 0.6° |
| N08 | C07 | C02 | C06 | 179.9° | 179.6° |
| N08 | C07 | C02 | N03 | 179.9° | 179.8° |
| N08 | C07 | C06 | N10 | 0.1° | 0.1° |
| N08 | C07 | C06 | N05 | 179.8° | 179.7° |
| C07 | N08 | C09 | H4 | 179.8° | 179.9° |
| O25 | C26 | C27 | H12 | 122.2° | 120.0° |
| O25 | C26 | C27 | O28 | 72.6° | 65.0° |
| O25 | C26 | C27 | C29 | 45.6° | 55.0° |
| C26 | O25 | C24 | H11 | 60.4° | 58.9° |
| O25 | C26 | C27 | H13 | 165.5° | 175.0° |
| O25 | C26 | C31 | H18 | 63.3° | 62.4° |
| C09 | N10 | C06 | C07 | 0.2° | 0.4° |
| C09 | N10 | C11 | C39 | 44.5° | 91.8° |
| C09 | N10 | C06 | C11 | 179.0° | 179.3° |
| C09 | N10 | C06 | N05 | 179.7° | 179.3° |
| C09 | N10 | C11 | O12 | 67.6° | 23.5° |
| C09 | N10 | C11 | H5 | 168.0° | 145.8° |
| C07 | C02 | N03 | C04 | 0.3° | 0.3° |
| C02 | C07 | C06 | N10 | 179.8° | 179.6° |
| C02 | C07 | C06 | N05 | 0.3° | 0.6° |
| C07 | C02 | N01 | H1 | 180.0° | 0.1° |
| C07 | C02 | N01 | H2 | 60.0° | 179.8° |
| N03 | C02 | C07 | C06 | 0.0° | 0.6° |
| C02 | N03 | C04 | N05 | 0.4° | 0.0° |
| N03 | C02 | N01 | H1 | 0.0° | 179.7° |
| N03 | C02 | N01 | H2 | 120.0° | 0.1° |
| C02 | N03 | C04 | H3 | 179.6° | 180.0° |
| C07 | C06 | N10 | N05 | 179.9° | 179.7° |
| C07 | C06 | N10 | C11 | 179.3° | 179.8° |
| C07 | C06 | N05 | C04 | 0.2° | 0.3° |
| C26 | C27 | O28 | C29 | 120.3° | 120.0° |
| C26 | C27 | O28 | H13 | 119.4° | 120.0° |
| C26 | C27 | C29 | H13 | 119.8° | 120.0° |
| C26 | C27 | C29 | O30 | 67.8° | 175.0° |
| C26 | C27 | O28 | H14 | 180.0° | 60.0° |
| C26 | C27 | C29 | H15 | 172.1° | 64.9° |
| C26 | C27 | C29 | H16 | 52.2° | 55.0° |
| C27 | C26 | C31 | H18 | 58.3° | 57.6° |
| O28 | C27 | C29 | H13 | 122.5° | 120.0° |
| O28 | C27 | C29 | O30 | 174.4° | 65.0° |
| O28 | C27 | C26 | H12 | 165.1° | 175.0° |
| O28 | C27 | C29 | H15 | 54.4° | 55.1° |
| O28 | C27 | C29 | H16 | 65.5° | 175.0° |
| O40 | C39 | C37 | C11 | 118.7° | 118.6° |
| O40 | C39 | C37 | H26 | 123.5° | 122.7° |
| O40 | C39 | C11 | H26 | 125.7° | 122.7° |
| O40 | C39 | C11 | N10 | 92.2° | 98.6° |
| O40 | C39 | C37 | C13 | 153.6° | 118.7° |
| O40 | C39 | C37 | O38 | 38.2° | 0.0° |
| O40 | C39 | C11 | O12 | 151.6° | 142.6° |
| O40 | C39 | C11 | H5 | 31.6° | 23.7° |
| O40 | C39 | C37 | H24 | 90.2° | 122.7° |
| O15 | C14 | C13 | C37 | 69.5° | 178.1° |
| O15 | C14 | C13 | H7 | 119.8° | 120.0° |
| O15 | C14 | C13 | H8 | 119.8° | 120.0° |
| O15 | C14 | C13 | O12 | 50.3° | 66.4° |
| O15 | C14 | C13 | H6 | 172.9° | 55.8° |
| O15 | C14 | H7 | H8 | 120.6° | 120.0° |
| C37 | C39 | C11 | H26 | 118.0° | 118.7° |
| C37 | C39 | C11 | N10 | 151.6° | 142.8° |
| C39 | C37 | C13 | O38 | 120.0° | 118.7° |
| C39 | C37 | C13 | H24 | 116.2° | 118.8° |
| C39 | C37 | O38 | H24 | 127.3° | 122.8° |
| C37 | C39 | C11 | O12 | 35.3° | 24.0° |
| C39 | C37 | C13 | C14 | 100.5° | 142.9° |
| C39 | C37 | C13 | O12 | 23.2° | 23.9° |
| C37 | C39 | C11 | H5 | 84.6° | 94.9° |
| C39 | C37 | C13 | H6 | 142.2° | 94.9° |
| C39 | C37 | O38 | H25 | 180.0° | 65.3° |
| C37 | C39 | O40 | H27 | 180.0° | 61.5° |
| C39 | C11 | N10 | C06 | 134.3° | 87.4° |
| C39 | C11 | N10 | O12 | 112.2° | 115.4° |
| C39 | C11 | N10 | H5 | 123.5° | 122.4° |
| C11 | C39 | C37 | C13 | 34.9° | 0.1° |
| C11 | C39 | C37 | O38 | 80.5° | 118.6° |
| C39 | C11 | O12 | H5 | 117.9° | 119.0° |
| C39 | C11 | O12 | C13 | 21.1° | 40.5° |
| C11 | C39 | C37 | H24 | 151.1° | 118.7° |
| C11 | C39 | O40 | H27 | 66.2° | 176.1° |
| N03 | C04 | N05 | C06 | 0.1° | 0.0° |
| N03 | C04 | N05 | H3 | 180.0° | 180.0° |
| C06 | N10 | C11 | O12 | 113.5° | 157.2° |
| N10 | C06 | N05 | C04 | 179.9° | 180.0° |
| C06 | N10 | C09 | H4 | 179.7° | 179.9° |
| C06 | N10 | C11 | H5 | 10.8° | 35.0° |
| C11 | N10 | C06 | N05 | 0.6° | 0.1° |
| N10 | C11 | O12 | H5 | 123.0° | 122.2° |
| N10 | C11 | O12 | C13 | 140.1° | 159.3° |
| C11 | N10 | C09 | H4 | 0.6° | 0.5° |
| N10 | C11 | C39 | H26 | 33.6° | 24.1° |
| C27 | C29 | O30 | H15 | 120.0° | 120.0° |
| C27 | C29 | O30 | H16 | 120.0° | 120.0° |
| C29 | C27 | C26 | H12 | 76.7° | 65.0° |
| C29 | C27 | O28 | H14 | 59.7° | 60.0° |
| C27 | C29 | H15 | H16 | 119.9° | 119.9° |
| C27 | C29 | O30 | H17 | 180.0° | 179.9° |
| C06 | N05 | C04 | H3 | 179.9° | 179.9° |
| C13 | C37 | O38 | H24 | 122.6° | 122.5° |
| C37 | C13 | O12 | C11 | 1.2° | 40.5° |
| C37 | C13 | C14 | O12 | 119.8° | 115.5° |
| C37 | C13 | C14 | H6 | 117.7° | 122.3° |
| C37 | C13 | O12 | H6 | 118.2° | 118.8° |
| C37 | C13 | C14 | H7 | 50.3° | 58.1° |
| C37 | C13 | C14 | H8 | 170.7° | 61.9° |
| C13 | C37 | O38 | H25 | 69.8° | 180.0° |
| C13 | C37 | C39 | H26 | 82.9° | 118.6° |
| O38 | C37 | C13 | C14 | 139.5° | 98.4° |
| O38 | C37 | C13 | O12 | 96.7° | 142.6° |
| O38 | C37 | C13 | H6 | 22.2° | 23.8° |
| O38 | C37 | C39 | H26 | 161.8° | 122.7° |
| C11 | O12 | C13 | C14 | 119.1° | 159.5° |
| C11 | O12 | C13 | H6 | 119.4° | 78.3° |
| O12 | C11 | C39 | H26 | 82.7° | 94.7° |
| O30 | C29 | C27 | H13 | 51.9° | 55.0° |
| O30 | C29 | H15 | H16 | 120.0° | 120.0° |
| C14 | C13 | O12 | H6 | 121.5° | 122.2° |
| C13 | C14 | H7 | H8 | 120.6° | 120.0° |
| C14 | C13 | C37 | H24 | 15.7° | 24.1° |
| C13 | O12 | C11 | H5 | 96.8° | 78.4° |
| O12 | C13 | C14 | H7 | 170.1° | 173.5° |
| O12 | C13 | C14 | H8 | 69.5° | 53.5° |
| O12 | C13 | C37 | H24 | 139.4° | 94.9° |
| H5 | C11 | C39 | H26 | 157.4° | 146.4° |
| H6 | C13 | C14 | H7 | 67.4° | 64.2° |
| H6 | C13 | C14 | H8 | 53.0° | 175.8° |
| H6 | C13 | C37 | H24 | 101.6° | 146.3° |
| H11 | C24 | C35 | H22 | 53.4° | 57.4° |
| H12 | C26 | C27 | H13 | 43.3° | 55.0° |
| H12 | C26 | C31 | H18 | 174.6° | 177.6° |
| H13 | C27 | O28 | H14 | 60.6° | 180.0° |
| H13 | C27 | C29 | H15 | 68.1° | 175.0° |
| H13 | C27 | C29 | H16 | 172.0° | 65.1° |
| H15 | C29 | O30 | H17 | 60.0° | 60.0° |
| H16 | C29 | O30 | H17 | 60.0° | 59.9° |
| H18 | C31 | O32 | H19 | 59.5° | 60.0° |
| H18 | C31 | C33 | H20 | 179.3° | 177.2° |
| H20 | C33 | O34 | H21 | 60.1° | 59.8° |
| H20 | C33 | C35 | H22 | 56.2° | 56.9° |
| H22 | C35 | O36 | H23 | 60.1° | 59.9° |
| H24 | C37 | O38 | H25 | 52.7° | 57.4° |
| H24 | C37 | C39 | H26 | 33.4° | 0.1° |
| H26 | C39 | O40 | H27 | 57.9° | 61.2° |
