KW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C1M | sing | 1.43Å | 1.46Å | |
| O13 | C1K | sing | 1.43Å | 1.43Å | |
| C1M | C1K | sing | 1.53Å | 1.49Å | |
| C1M | C1N | sing | 1.53Å | 1.49Å | |
| C1K | C1L | sing | 1.53Å | 1.54Å | |
| O1 | C1N | sing | 1.43Å | 1.44Å | |
| C1N | C1I | sing | 1.53Å | 1.54Å | |
| C1A | C13 | sing | 1.52Å | 1.56Å | |
| C1L | O | sing | 1.43Å | 1.48Å | |
| C1O | C15 | sing | 1.53Å | 1.50Å | |
| C1I | O | sing | 1.43Å | 1.49Å | |
| C1I | N1 | sing | 1.47Å | 1.44Å | |
| C13 | C19 | sing | 1.54Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.37Å | |
| C13 | C12 | sing | 1.54Å | 1.23Å | |
| C16 | C15 | sing | 1.53Å | 1.69Å | |
| C16 | C17 | sing | 1.53Å | 1.67Å | |
| C16 | N | sing | 1.48Å | 1.32Å | |
| C15 | C14 | sing | 1.53Å | 1.48Å | |
| C17 | C12 | sing | 1.53Å | 1.50Å | |
| C14 | C18 | sing | 1.55Å | 1.57Å | |
| N1 | C1D | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C1C | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C18 | sing | 1.54Å | 1.66Å | |
| C1D | C | doub | 1.34Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.47Å | 1.49Å | |
| C1C | C1H | doub | 1.39Å | 1.43Å | Aromatic |
| C1C | C1B | sing | 1.41Å | 1.37Å | Aromatic |
| C1H | C1G | sing | 1.38Å | 1.40Å | Aromatic |
| C | C1B | sing | 1.46Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.57Å | |
| C1B | C1E | doub | 1.40Å | 1.43Å | Aromatic |
| C1G | C1F | doub | 1.39Å | 1.40Å | Aromatic |
| C1E | C1F | sing | 1.37Å | 1.40Å | Aromatic |
| C1F | H1 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.10Å | 1.10Å | |
| C14 | H7 | sing | 1.10Å | 1.10Å | |
| C15 | H8 | sing | 1.10Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.10Å | 1.10Å | |
| C17 | H11 | sing | 1.10Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C1A | H17 | sing | 1.09Å | 1.10Å | |
| C1A | H18 | sing | 1.09Å | 1.10Å | |
| C1A | H19 | sing | 1.09Å | 1.10Å | |
| C1D | H20 | sing | 1.08Å | 1.08Å | |
| C1E | H21 | sing | 1.08Å | 1.08Å | |
| C1G | H22 | sing | 1.08Å | 1.08Å | |
| C1H | H23 | sing | 1.08Å | 1.08Å | |
| C1I | H24 | sing | 1.09Å | 1.10Å | |
| C1K | H25 | sing | 1.09Å | 1.10Å | |
| C1L | H26 | sing | 1.09Å | 1.10Å | |
| C1L | H27 | sing | 1.09Å | 1.10Å | |
| C1M | H28 | sing | 1.09Å | 1.10Å | |
| C1N | H29 | sing | 1.09Å | 1.10Å | |
| C1O | H30 | sing | 1.09Å | 1.10Å | |
| C1O | H31 | sing | 1.09Å | 1.10Å | |
| C1O | H32 | sing | 1.09Å | 1.10Å | |
| O1 | H33 | sing | 0.97Å | 0.95Å | |
| O12 | H34 | sing | 0.97Å | 0.95Å | |
| O13 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C1M | C1K | 108.5° | 109.5° |
| O12 | C1M | C1N | 108.4° | 109.6° |
| O12 | C1M | H28 | 108.6° | 109.7° |
| C1M | O12 | H34 | 109.5° | 114.0° |
| O13 | C1K | C1M | 108.4° | 109.6° |
| O13 | C1K | C1L | 108.5° | 109.5° |
| O13 | C1K | H25 | 109.7° | 109.5° |
| C1K | O13 | H35 | 109.5° | 114.0° |
| C1K | C1M | C1N | 114.5° | 109.0° |
| C1M | C1K | C1L | 113.0° | 109.2° |
| C1M | C1K | H25 | 108.9° | 109.5° |
| C1K | C1M | H28 | 108.3° | 109.5° |
| C1M | C1N | O1 | 107.9° | 109.5° |
| C1M | C1N | C1I | 113.6° | 109.2° |
| C1N | C1M | H28 | 108.3° | 109.6° |
| C1M | C1N | H29 | 108.9° | 109.6° |
| C1K | C1L | O | 112.1° | 109.4° |
| C1L | C1K | H25 | 108.3° | 109.6° |
| C1K | C1L | H26 | 108.8° | 109.5° |
| C1K | C1L | H27 | 108.8° | 109.5° |
| O1 | C1N | C1I | 108.5° | 109.5° |
| O1 | C1N | H29 | 109.6° | 109.6° |
| C1N | O1 | H33 | 109.5° | 114.0° |
| C1N | C1I | O | 112.9° | 109.4° |
| C1N | C1I | N1 | 108.4° | 109.5° |
| C1N | C1I | H24 | 107.2° | 109.5° |
| C1I | C1N | H29 | 108.3° | 109.5° |
| C1A | C13 | C19 | 104.9° | 110.4° |
| C1A | C13 | C14 | 115.5° | 117.7° |
| C1A | C13 | C12 | 112.8° | 116.2° |
| C13 | C1A | H17 | 109.5° | 109.5° |
| C13 | C1A | H18 | 109.5° | 109.5° |
| C13 | C1A | H19 | 109.5° | 109.4° |
| C1L | O | C1I | 113.6° | 114.1° |
| O | C1L | H26 | 108.8° | 109.5° |
| O | C1L | H27 | 108.8° | 109.4° |
| C1O | C15 | C16 | 110.7° | 110.4° |
| C1O | C15 | C14 | 112.0° | 110.6° |
| C1O | C15 | H8 | 107.5° | 107.8° |
| C15 | C1O | H30 | 109.5° | 109.5° |
| C15 | C1O | H31 | 109.5° | 109.5° |
| C15 | C1O | H32 | 109.4° | 109.5° |
| O | C1I | N1 | 112.1° | 109.5° |
| O | C1I | H24 | 107.7° | 109.5° |
| C1I | N1 | C1D | 123.8° | 125.0° |
| C1I | N1 | C1C | 128.7° | 125.1° |
| N1 | C1I | H24 | 108.4° | 109.5° |
| C19 | C13 | C14 | 107.8° | 112.9° |
| C19 | C13 | C12 | 106.9° | 112.7° |
| C13 | C19 | H14 | 109.5° | 109.5° |
| C13 | C19 | H15 | 109.5° | 109.5° |
| C13 | C19 | H16 | 109.5° | 109.5° |
| C14 | C13 | C12 | 108.4° | 84.9° |
| C13 | C14 | C15 | 121.3° | 115.9° |
| C13 | C14 | C18 | 78.5° | 85.8° |
| C13 | C14 | H7 | 117.9° | 115.2° |
| C13 | C12 | C17 | 115.7° | 114.3° |
| C13 | C12 | C18 | 79.0° | 85.7° |
| C13 | C12 | H6 | 121.2° | 114.8° |
| C15 | C16 | C17 | 108.6° | 111.3° |
| C15 | C16 | N | 109.4° | 108.3° |
| C16 | C15 | C14 | 112.9° | 111.4° |
| C16 | C15 | H8 | 105.5° | 108.3° |
| C15 | C16 | H9 | 106.4° | 110.8° |
| C17 | C16 | N | 114.6° | 108.4° |
| C16 | C17 | C12 | 113.5° | 112.1° |
| C17 | C16 | H9 | 106.5° | 111.0° |
| C16 | C17 | H10 | 108.5° | 109.3° |
| C16 | C17 | H11 | 108.5° | 109.1° |
| C16 | N | C1 | 114.8° | 111.0° |
| C16 | N | H2 | 108.1° | 111.0° |
| N | C16 | H9 | 111.1° | 106.8° |
| C15 | C14 | C18 | 100.2° | 109.6° |
| C15 | C14 | H7 | 115.7° | 113.5° |
| C14 | C15 | H8 | 107.8° | 108.3° |
| C17 | C12 | C18 | 106.3° | 111.1° |
| C17 | C12 | H6 | 115.1° | 113.7° |
| C12 | C17 | H10 | 108.5° | 109.6° |
| C12 | C17 | H11 | 108.5° | 109.3° |
| C14 | C18 | C12 | 81.6° | 84.2° |
| C18 | C14 | H7 | 114.1° | 113.9° |
| C14 | C18 | H12 | 115.9° | 113.0° |
| C14 | C18 | H13 | 115.9° | 115.1° |
| C1D | N1 | C1C | 107.5° | 109.9° |
| N1 | C1D | C | 108.5° | 109.9° |
| N1 | C1D | H20 | 125.7° | 125.1° |
| N1 | C1C | C1H | 133.4° | 133.5° |
| N1 | C1C | C1B | 107.8° | 107.1° |
| C18 | C12 | H6 | 112.6° | 114.2° |
| C12 | C18 | H12 | 115.9° | 113.3° |
| C12 | C18 | H13 | 115.9° | 115.4° |
| C1D | C | C1B | 107.9° | 107.0° |
| C1D | C | C1 | 126.7° | 126.5° |
| C | C1D | H20 | 125.8° | 125.0° |
| N | C1 | C | 110.9° | 109.5° |
| C1 | N | H2 | 108.1° | 111.0° |
| N | C1 | H4 | 109.1° | 109.5° |
| N | C1 | H5 | 109.1° | 109.5° |
| C1H | C1C | C1B | 118.8° | 119.4° |
| C1C | C1H | C1G | 120.9° | 119.7° |
| C1C | C1H | H23 | 119.6° | 120.1° |
| C1C | C1B | C | 108.3° | 106.1° |
| C1C | C1B | C1E | 120.5° | 119.9° |
| C1H | C1G | C1F | 119.8° | 120.7° |
| C1H | C1G | H22 | 120.1° | 119.6° |
| C1G | C1H | H23 | 119.6° | 120.2° |
| C1B | C | C1 | 125.4° | 126.5° |
| C | C1B | C1E | 131.3° | 134.0° |
| C | C1 | H4 | 109.1° | 109.5° |
| C | C1 | H5 | 109.1° | 109.5° |
| C1B | C1E | C1F | 120.2° | 119.7° |
| C1B | C1E | H21 | 120.0° | 120.2° |
| C1G | C1F | C1E | 119.9° | 120.5° |
| C1G | C1F | H1 | 120.0° | 119.7° |
| C1F | C1G | H22 | 120.1° | 119.7° |
| C1E | C1F | H1 | 120.1° | 119.7° |
| C1F | C1E | H21 | 119.9° | 120.1° |
| H4 | C1 | H5 | 109.4° | 109.4° |
| H10 | C17 | H11 | 109.4° | 107.3° |
| H12 | C18 | H13 | 109.5° | 112.9° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C1A | H18 | 109.4° | 109.5° |
| H17 | C1A | H19 | 109.5° | 109.5° |
| H18 | C1A | H19 | 109.5° | 109.5° |
| H26 | C1L | H27 | 109.5° | 109.6° |
| H30 | C1O | H31 | 109.5° | 109.5° |
| H30 | C1O | H32 | 109.5° | 109.5° |
| H31 | C1O | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C1M | C1K | O13 | 103.2° | 63.2° |
| O12 | C1M | C1K | C1N | 121.2° | 119.9° |
| O12 | C1M | C1K | H28 | 117.8° | 120.3° |
| O12 | C1M | C1N | H28 | 117.7° | 120.4° |
| O12 | C1M | C1K | C1L | 136.6° | 176.9° |
| O12 | C1M | C1N | O1 | 65.3° | 63.3° |
| O12 | C1M | C1N | C1I | 174.4° | 176.8° |
| O12 | C1M | C1K | H25 | 16.1° | 56.9° |
| O12 | C1M | C1N | H29 | 53.6° | 56.9° |
| O13 | C1K | C1M | C1L | 120.2° | 119.9° |
| O13 | C1K | C1M | H25 | 119.3° | 120.1° |
| O13 | C1K | C1M | C1N | 135.6° | 176.9° |
| O13 | C1K | C1L | H25 | 119.0° | 120.1° |
| O13 | C1K | C1L | O | 80.6° | 177.6° |
| O13 | C1K | C1L | H26 | 39.8° | 62.5° |
| O13 | C1K | C1L | H27 | 159.0° | 57.7° |
| O13 | C1K | C1M | H28 | 14.6° | 57.1° |
| C1K | C1M | C1N | H28 | 121.0° | 119.8° |
| C1M | C1K | C1L | H25 | 120.8° | 119.9° |
| C1K | C1M | C1N | O1 | 173.5° | 176.9° |
| C1K | C1M | C1N | C1I | 53.1° | 57.0° |
| C1M | C1K | C1L | O | 39.6° | 57.6° |
| C1M | C1K | C1L | H26 | 159.9° | 177.6° |
| C1M | C1K | C1L | H27 | 80.8° | 62.3° |
| C1K | C1M | C1N | H29 | 67.7° | 62.9° |
| C1K | C1M | O12 | H34 | 180.0° | 60.0° |
| C1M | C1K | O13 | H35 | 180.0° | 179.7° |
| C1N | C1M | C1K | C1L | 15.3° | 57.0° |
| C1M | C1N | O1 | C1I | 123.5° | 119.7° |
| C1M | C1N | O1 | H29 | 118.4° | 120.2° |
| C1M | C1N | C1I | H29 | 121.1° | 120.0° |
| C1M | C1N | C1I | O | 33.8° | 57.6° |
| C1M | C1N | C1I | N1 | 158.5° | 177.6° |
| C1M | C1N | C1I | H24 | 84.7° | 62.4° |
| C1N | C1M | C1K | H25 | 105.1° | 63.0° |
| C1M | C1N | O1 | H33 | 180.0° | 60.0° |
| C1N | C1M | O12 | H34 | 55.1° | 179.6° |
| C1K | C1L | O | H26 | 120.4° | 120.0° |
| C1K | C1L | O | H27 | 120.4° | 119.9° |
| C1K | C1L | O | C1I | 59.1° | 61.2° |
| C1K | C1L | H26 | H27 | 118.8° | 120.1° |
| C1L | C1K | C1M | H28 | 105.7° | 62.8° |
| C1L | C1K | O13 | H35 | 57.0° | 60.0° |
| O1 | C1N | C1I | H29 | 118.8° | 120.2° |
| O1 | C1N | C1I | O | 153.8° | 177.5° |
| O1 | C1N | C1I | N1 | 81.4° | 62.5° |
| O1 | C1N | C1I | H24 | 35.4° | 57.5° |
| O1 | C1N | C1M | H28 | 52.5° | 57.0° |
| C1N | C1I | O | C1L | 21.2° | 61.2° |
| C1N | C1I | O | N1 | 122.8° | 120.0° |
| C1N | C1I | O | H24 | 118.1° | 120.0° |
| C1N | C1I | N1 | H24 | 116.0° | 120.0° |
| C1N | C1I | N1 | C1D | 61.5° | 95.0° |
| C1N | C1I | N1 | C1C | 118.2° | 85.3° |
| C1I | C1N | C1M | H28 | 67.9° | 62.8° |
| C1I | C1N | O1 | H33 | 56.5° | 179.7° |
| C1A | C13 | C19 | C14 | 123.6° | 134.1° |
| C1A | C13 | C19 | C12 | 120.0° | 131.7° |
| C1A | C13 | C14 | C12 | 127.7° | 117.0° |
| C1A | C13 | C14 | C15 | 64.0° | 39.7° |
| C1A | C13 | C12 | C17 | 55.8° | 39.9° |
| C1A | C13 | C14 | C18 | 159.1° | 149.5° |
| C1A | C13 | C12 | C18 | 158.7° | 151.0° |
| C1A | C13 | C12 | H6 | 91.5° | 94.2° |
| C1A | C13 | C14 | H7 | 89.6° | 96.1° |
| C1A | C13 | C19 | H14 | 180.0° | 165.9° |
| C1A | C13 | C19 | H15 | 60.0° | 45.9° |
| C1A | C13 | C19 | H16 | 60.0° | 74.1° |
| C13 | C1A | H17 | H18 | 120.0° | 120.0° |
| C13 | C1A | H17 | H19 | 120.0° | 120.0° |
| C13 | C1A | H18 | H19 | 120.0° | 119.9° |
| C1L | O | C1I | N1 | 101.6° | 178.8° |
| C1L | O | C1I | H24 | 139.3° | 58.8° |
| O | C1L | C1K | H25 | 160.4° | 62.3° |
| O | C1L | H26 | H27 | 118.8° | 120.0° |
| C1O | C15 | C14 | C13 | 98.3° | 94.6° |
| C1O | C15 | C16 | C14 | 126.5° | 123.3° |
| C1O | C15 | C16 | H8 | 116.0° | 117.7° |
| C1O | C15 | C16 | C17 | 122.8° | 154.1° |
| C1O | C15 | C16 | N | 111.5° | 86.9° |
| C1O | C15 | C14 | H8 | 118.1° | 117.8° |
| C1O | C15 | C14 | C18 | 179.0° | 170.5° |
| C1O | C15 | C14 | H7 | 55.8° | 42.0° |
| C1O | C15 | C16 | H9 | 8.5° | 29.9° |
| C15 | C1O | H30 | H31 | 120.0° | 120.0° |
| C15 | C1O | H30 | H32 | 120.0° | 120.0° |
| C15 | C1O | H31 | H32 | 120.0° | 120.0° |
| O | C1I | N1 | H24 | 118.7° | 120.0° |
| O | C1I | N1 | C1D | 173.3° | 25.0° |
| O | C1I | N1 | C1C | 7.0° | 154.7° |
| C1I | O | C1L | H26 | 179.5° | 178.9° |
| C1I | O | C1L | H27 | 61.3° | 58.8° |
| O | C1I | C1N | H29 | 87.4° | 62.3° |
| C1I | N1 | C1D | C1C | 179.8° | 179.8° |
| C1I | N1 | C1D | C | 179.8° | 179.7° |
| C1I | N1 | C1C | C1H | 0.2° | 0.2° |
| C1I | N1 | C1C | C1B | 179.9° | 179.7° |
| C1I | N1 | C1D | H20 | 0.2° | 0.2° |
| N1 | C1I | C1N | H29 | 37.4° | 57.7° |
| C19 | C13 | C14 | C12 | 115.4° | 112.5° |
| C19 | C13 | C14 | C15 | 179.1° | 170.2° |
| C19 | C13 | C12 | C17 | 170.5° | 168.6° |
| C19 | C13 | C14 | C18 | 84.0° | 80.0° |
| C19 | C13 | C12 | C18 | 86.5° | 80.2° |
| C19 | C13 | C12 | H6 | 23.3° | 34.5° |
| C19 | C13 | C14 | H7 | 27.3° | 34.4° |
| C13 | C19 | H14 | H15 | 120.0° | 120.0° |
| C13 | C19 | H14 | H16 | 120.0° | 120.0° |
| C13 | C19 | H15 | H16 | 120.0° | 120.0° |
| C19 | C13 | C1A | H17 | 180.0° | 50.8° |
| C19 | C13 | C1A | H18 | 60.0° | 170.9° |
| C19 | C13 | C1A | H19 | 60.0° | 69.2° |
| C13 | C14 | C15 | C16 | 27.4° | 28.6° |
| C13 | C14 | C15 | C18 | 82.7° | 94.9° |
| C13 | C14 | C15 | H7 | 154.2° | 136.6° |
| C14 | C13 | C12 | C17 | 73.4° | 78.7° |
| C13 | C14 | C18 | H7 | 115.6° | 115.7° |
| C14 | C13 | C12 | C18 | 29.5° | 32.5° |
| C14 | C13 | C12 | H6 | 139.3° | 147.3° |
| C13 | C14 | C15 | H8 | 143.6° | 147.5° |
| C13 | C14 | C18 | H12 | 93.1° | 145.2° |
| C13 | C14 | C18 | H13 | 136.5° | 83.0° |
| C14 | C13 | C19 | H14 | 56.4° | 60.0° |
| C14 | C13 | C19 | H15 | 176.4° | 180.0° |
| C14 | C13 | C19 | H16 | 63.6° | 60.0° |
| C14 | C13 | C1A | H17 | 61.4° | 177.6° |
| C14 | C13 | C1A | H18 | 58.5° | 57.5° |
| C14 | C13 | C1A | H19 | 178.6° | 62.4° |
| C13 | C12 | C17 | C16 | 49.1° | 32.0° |
| C12 | C13 | C14 | C15 | 63.7° | 77.3° |
| C13 | C12 | C17 | C18 | 85.4° | 94.9° |
| C13 | C12 | C17 | H6 | 149.3° | 134.6° |
| C13 | C12 | C18 | H6 | 119.4° | 115.3° |
| C12 | C13 | C14 | H7 | 142.7° | 146.9° |
| C13 | C12 | C17 | H10 | 169.7° | 89.6° |
| C13 | C12 | C17 | H11 | 71.5° | 153.1° |
| C13 | C12 | C18 | H12 | 90.5° | 144.8° |
| C13 | C12 | C18 | H13 | 139.0° | 82.8° |
| C12 | C13 | C19 | H14 | 60.0° | 34.1° |
| C12 | C13 | C19 | H15 | 60.0° | 85.8° |
| C12 | C13 | C19 | H16 | 179.9° | 154.2° |
| C12 | C13 | C1A | H17 | 64.1° | 79.0° |
| C12 | C13 | C1A | H18 | 176.0° | 41.0° |
| C12 | C13 | C1A | H19 | 55.9° | 161.0° |
| C15 | C16 | C17 | N | 122.6° | 119.0° |
| C15 | C16 | C17 | H9 | 114.2° | 124.0° |
| C15 | C16 | N | H9 | 117.1° | 119.4° |
| C16 | C15 | C14 | H8 | 116.1° | 119.0° |
| C15 | C16 | C17 | C12 | 11.8° | 29.1° |
| C16 | C15 | C14 | C18 | 55.3° | 66.3° |
| C15 | C16 | N | C1 | 125.0° | 155.0° |
| C15 | C16 | N | H2 | 4.2° | 81.1° |
| C16 | C15 | C14 | H7 | 178.4° | 165.2° |
| C15 | C16 | C17 | H10 | 132.4° | 150.8° |
| C15 | C16 | C17 | H11 | 108.8° | 92.0° |
| C16 | C15 | C1O | H30 | 180.0° | 63.8° |
| C16 | C15 | C1O | H31 | 60.0° | 56.2° |
| C16 | C15 | C1O | H32 | 60.0° | 176.2° |
| C17 | C16 | N | H9 | 120.7° | 119.7° |
| C17 | C16 | C15 | C14 | 3.7° | 30.8° |
| C16 | C17 | C12 | H10 | 120.6° | 121.6° |
| C16 | C17 | C12 | H11 | 120.6° | 121.1° |
| C16 | C17 | C12 | C18 | 36.2° | 63.0° |
| C17 | C16 | N | C1 | 2.7° | 84.1° |
| C17 | C16 | N | H2 | 118.0° | 39.8° |
| C16 | C17 | C12 | H6 | 161.6° | 166.5° |
| C17 | C16 | C15 | H8 | 121.2° | 88.2° |
| C16 | C17 | H10 | H11 | 118.2° | 118.3° |
| N | C16 | C15 | C14 | 122.0° | 149.8° |
| N | C16 | C17 | C12 | 110.8° | 148.1° |
| C16 | N | C1 | H2 | 120.8° | 124.0° |
| C16 | N | C1 | C | 90.6° | 180.0° |
| C16 | N | C1 | H4 | 29.6° | 60.0° |
| C16 | N | C1 | H5 | 149.1° | 60.0° |
| N | C16 | C15 | H8 | 4.5° | 30.8° |
| N | C16 | C17 | H10 | 9.8° | 90.2° |
| N | C16 | C17 | H11 | 128.6° | 26.9° |
| C15 | C14 | C18 | H7 | 124.2° | 128.3° |
| C15 | C14 | C18 | C12 | 98.4° | 83.7° |
| C14 | C15 | C16 | H9 | 118.0° | 93.3° |
| C15 | C14 | C18 | H12 | 146.8° | 29.2° |
| C15 | C14 | C18 | H13 | 16.4° | 161.0° |
| C14 | C15 | C1O | H30 | 53.1° | 60.0° |
| C14 | C15 | C1O | H31 | 67.0° | 180.0° |
| C14 | C15 | C1O | H32 | 173.1° | 60.0° |
| C17 | C12 | C18 | C14 | 89.5° | 82.2° |
| C17 | C12 | C18 | H6 | 126.9° | 130.2° |
| C12 | C17 | C16 | H9 | 126.0° | 94.9° |
| C12 | C17 | H10 | H11 | 118.2° | 118.5° |
| C17 | C12 | C18 | H12 | 155.7° | 30.4° |
| C17 | C12 | C18 | H13 | 25.3° | 162.7° |
| C14 | C18 | C12 | H12 | 114.8° | 112.6° |
| C14 | C18 | C12 | H13 | 114.7° | 115.0° |
| C14 | C18 | C12 | H6 | 143.6° | 147.5° |
| C18 | C14 | C15 | H8 | 60.9° | 52.6° |
| C14 | C18 | H12 | H13 | 133.4° | 132.8° |
| N1 | C1D | C | H20 | 180.0° | 180.0° |
| C1D | N1 | C1C | C1H | 180.0° | 179.9° |
| C1D | N1 | C1C | C1B | 0.1° | 0.0° |
| N1 | C1D | C | C1B | 0.1° | 0.0° |
| N1 | C1D | C | C1 | 179.8° | 180.0° |
| C1D | N1 | C1I | H24 | 54.5° | 145.0° |
| C1C | N1 | C1D | C | 0.0° | 0.0° |
| N1 | C1C | C1H | C1B | 179.9° | 179.9° |
| N1 | C1C | C1H | C1G | 180.0° | 180.0° |
| N1 | C1C | C1B | C | 0.1° | 0.0° |
| N1 | C1C | C1B | C1E | 180.0° | 180.0° |
| C1C | N1 | C1D | H20 | 180.0° | 180.0° |
| N1 | C1C | C1H | H23 | 0.0° | 0.1° |
| C1C | N1 | C1I | H24 | 125.7° | 34.7° |
| C12 | C18 | C14 | H7 | 137.3° | 148.0° |
| C18 | C12 | C17 | H10 | 84.4° | 175.5° |
| C18 | C12 | C17 | H11 | 156.9° | 58.1° |
| C12 | C18 | H12 | H13 | 133.5° | 133.6° |
| C1D | C | C1 | N | 26.3° | 100.0° |
| C1D | C | C1B | C1C | 0.1° | 0.0° |
| C1D | C | C1B | C1 | 179.9° | 180.0° |
| C1D | C | C1B | C1E | 179.9° | 180.0° |
| C1D | C | C1 | H4 | 146.5° | 139.9° |
| C1D | C | C1 | H5 | 94.0° | 20.0° |
| N | C1 | C | C1B | 153.6° | 80.0° |
| N | C1 | C | H4 | 120.2° | 120.0° |
| N | C1 | C | H5 | 120.2° | 120.0° |
| N | C1 | H4 | H5 | 119.3° | 120.0° |
| C1 | N | C16 | H9 | 117.9° | 35.6° |
| C1C | C1H | C1G | H23 | 180.0° | 179.9° |
| C1H | C1C | C1B | C | 179.9° | 179.9° |
| C1H | C1C | C1B | C1E | 0.1° | 0.0° |
| C1C | C1H | C1G | C1F | 0.0° | 0.0° |
| C1C | C1H | C1G | H22 | 180.0° | 180.0° |
| C1B | C1C | C1H | C1G | 0.1° | 0.0° |
| C1C | C1B | C | C1E | 179.8° | 180.0° |
| C1C | C1B | C | C1 | 179.7° | 180.0° |
| C1C | C1B | C1E | C1F | 0.1° | 0.0° |
| C1C | C1B | C1E | H21 | 179.9° | 180.0° |
| C1B | C1C | C1H | H23 | 179.9° | 180.0° |
| C1H | C1G | C1F | H22 | 180.0° | 180.0° |
| C1H | C1G | C1F | C1E | 0.0° | 0.1° |
| C1H | C1G | C1F | H1 | 179.9° | 180.0° |
| C | C1B | C1E | C1F | 179.9° | 180.0° |
| C1B | C | C1 | H4 | 33.4° | 40.0° |
| C1B | C | C1 | H5 | 86.2° | 160.0° |
| C1B | C | C1D | H20 | 179.9° | 180.0° |
| C | C1B | C1E | H21 | 0.1° | 0.1° |
| C1 | C | C1B | C1E | 0.0° | 0.0° |
| C | C1 | N | H2 | 148.6° | 56.0° |
| C | C1 | H4 | H5 | 119.4° | 120.0° |
| C1 | C | C1D | H20 | 0.2° | 0.0° |
| C1B | C1E | C1F | C1G | 0.0° | 0.1° |
| C1B | C1E | C1F | H21 | 180.0° | 179.9° |
| C1B | C1E | C1F | H1 | 180.0° | 179.9° |
| C1G | C1F | C1E | H1 | 180.0° | 180.0° |
| C1G | C1F | C1E | H21 | 180.0° | 180.0° |
| C1F | C1G | C1H | H23 | 180.0° | 179.9° |
| C1E | C1F | C1G | H22 | 180.0° | 180.0° |
| H1 | C1F | C1E | H21 | 0.0° | 0.0° |
| H1 | C1F | C1G | H22 | 0.0° | 0.0° |
| H2 | N | C1 | H4 | 91.2° | 176.1° |
| H2 | N | C1 | H5 | 28.4° | 64.0° |
| H2 | N | C16 | H9 | 121.3° | 159.5° |
| H6 | C12 | C17 | H10 | 41.0° | 45.0° |
| H6 | C12 | C17 | H11 | 77.8° | 72.4° |
| H6 | C12 | C18 | H12 | 28.9° | 99.9° |
| H6 | C12 | C18 | H13 | 101.6° | 32.5° |
| H7 | C14 | C15 | H8 | 62.3° | 75.9° |
| H7 | C14 | C18 | H12 | 22.5° | 99.1° |
| H7 | C14 | C18 | H13 | 107.9° | 32.7° |
| H8 | C15 | C16 | H9 | 124.5° | 147.7° |
| H8 | C15 | C1O | H30 | 65.2° | 178.1° |
| H8 | C15 | C1O | H31 | 174.8° | 61.8° |
| H8 | C15 | C1O | H32 | 54.8° | 58.1° |
| H9 | C16 | C17 | H10 | 113.4° | 26.8° |
| H9 | C16 | C17 | H11 | 5.4° | 143.9° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H17 | C1A | H18 | H19 | 120.0° | 120.0° |
| H22 | C1G | C1H | H23 | 0.0° | 0.0° |
| H24 | C1I | C1N | H29 | 154.2° | 177.7° |
| H25 | C1K | C1L | H26 | 79.3° | 57.6° |
| H25 | C1K | C1L | H27 | 39.9° | 177.8° |
| H25 | C1K | C1M | H28 | 133.9° | 177.2° |
| H25 | C1K | O13 | H35 | 61.1° | 60.2° |
| H28 | C1M | C1N | H29 | 171.3° | 177.2° |
| H28 | C1M | O12 | H34 | 62.4° | 60.2° |
| H29 | C1N | O1 | H33 | 61.6° | 60.2° |
| H30 | C1O | H31 | H32 | 120.0° | 120.0° |
