LPO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C2 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | O9 | sing | 1.43Å | 1.44Å | |
| C6 | C10 | sing | 1.51Å | 1.49Å | |
| C7 | N8 | sing | 1.35Å | 1.34Å | |
| C7 | O29 | doub | 1.21Å | 1.21Å | |
| N8 | C30 | sing | 1.47Å | 1.45Å | |
| N8 | C31 | sing | 1.46Å | 1.47Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | N12 | sing | 1.32Å | 1.34Å | Aromatic |
| N12 | C13 | doub | 1.32Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | O16 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| O16 | C17 | sing | 1.43Å | 1.41Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | O19 | sing | 1.43Å | 1.42Å | |
| O19 | C20 | sing | 1.36Å | 1.38Å | |
| C20 | C21 | doub | 1.39Å | 1.36Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | CL27 | sing | 1.74Å | 1.77Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | CL26 | sing | 1.74Å | 1.79Å | |
| C30 | C32 | sing | 1.51Å | 1.50Å | |
| C31 | C38 | sing | 1.53Å | 1.53Å | |
| C31 | C39 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C41 | sing | 1.51Å | 1.50Å | |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | CL40 | sing | 1.74Å | 1.81Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C42 | O43 | sing | 1.43Å | 1.43Å | |
| O43 | C44 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 107.8° | 109.3° |
| C1 | C2 | N3 | 110.6° | 109.5° |
| C2 | C1 | H1 | 110.0° | 109.5° |
| C2 | C1 | H1A | 110.0° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.4° |
| C1 | C2 | H2A | 109.1° | 109.4° |
| C1 | C6 | C5 | 113.7° | 109.2° |
| C1 | C6 | O9 | 107.0° | 109.5° |
| C1 | C6 | C10 | 108.0° | 109.5° |
| C6 | C1 | H1 | 110.0° | 109.5° |
| C6 | C1 | H1A | 110.0° | 109.5° |
| C2 | N3 | C4 | 119.0° | 111.2° |
| N3 | C2 | H2 | 109.1° | 109.5° |
| N3 | C2 | H2A | 109.1° | 109.5° |
| C2 | N3 | HN3 | 106.4° | 111.0° |
| N3 | C4 | C5 | 108.3° | 109.5° |
| C4 | N3 | HN3 | 106.4° | 111.0° |
| N3 | C4 | H4 | 109.9° | 109.5° |
| N3 | C4 | H4A | 109.9° | 109.5° |
| C4 | C5 | C6 | 110.8° | 109.3° |
| C4 | C5 | C7 | 111.4° | 109.5° |
| C5 | C4 | H4 | 109.9° | 109.4° |
| C5 | C4 | H4A | 109.9° | 109.4° |
| C4 | C5 | H5 | 107.1° | 109.5° |
| C6 | C5 | C7 | 109.1° | 109.5° |
| C5 | C6 | O9 | 110.1° | 109.5° |
| C5 | C6 | C10 | 110.1° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C7 | N8 | 120.8° | 120.0° |
| C5 | C7 | O29 | 119.6° | 120.0° |
| C7 | C5 | H5 | 108.8° | 109.5° |
| O9 | C6 | C10 | 107.6° | 109.6° |
| C6 | O9 | HO9 | 109.5° | 114.0° |
| C6 | C10 | C11 | 123.3° | 120.4° |
| C6 | C10 | C15 | 116.4° | 120.4° |
| N8 | C7 | O29 | 119.6° | 120.0° |
| C7 | N8 | C30 | 122.5° | 120.0° |
| C7 | N8 | C31 | 122.8° | 120.0° |
| C30 | N8 | C31 | 114.5° | 120.0° |
| N8 | C30 | C32 | 118.7° | 109.5° |
| N8 | C30 | H30 | 106.5° | 109.5° |
| N8 | C30 | H30A | 106.5° | 109.5° |
| N8 | C31 | C38 | 108.4° | 117.5° |
| N8 | C31 | C39 | 109.6° | 117.5° |
| N8 | C31 | H31 | 102.2° | 115.6° |
| C11 | C10 | C15 | 120.3° | 119.3° |
| C10 | C11 | N12 | 118.6° | 120.8° |
| C10 | C11 | H11 | 120.7° | 119.6° |
| C10 | C15 | C14 | 120.8° | 118.5° |
| C10 | C15 | H15 | 119.6° | 120.7° |
| C11 | N12 | C13 | 121.3° | 121.7° |
| N12 | C11 | H11 | 120.7° | 119.6° |
| N12 | C13 | C14 | 121.4° | 120.6° |
| N12 | C13 | O16 | 123.5° | 119.7° |
| C14 | C13 | O16 | 115.1° | 119.7° |
| C13 | C14 | C15 | 117.7° | 119.1° |
| C13 | C14 | H14 | 121.2° | 120.4° |
| C13 | O16 | C17 | 120.1° | 117.0° |
| C15 | C14 | H14 | 121.1° | 120.5° |
| C14 | C15 | H15 | 119.6° | 120.8° |
| O16 | C17 | C18 | 107.7° | 109.4° |
| O16 | C17 | H17 | 110.1° | 109.5° |
| O16 | C17 | H17A | 110.1° | 109.5° |
| C17 | C18 | O19 | 105.0° | 109.5° |
| C18 | C17 | H17 | 110.1° | 109.5° |
| C18 | C17 | H17A | 110.1° | 109.4° |
| C17 | C18 | H18 | 111.0° | 109.4° |
| C17 | C18 | H18A | 111.0° | 109.5° |
| C18 | O19 | C20 | 119.2° | 117.0° |
| O19 | C18 | H18 | 111.0° | 109.5° |
| O19 | C18 | H18A | 111.0° | 109.5° |
| O19 | C20 | C21 | 119.2° | 120.1° |
| O19 | C20 | C25 | 121.6° | 120.1° |
| C21 | C20 | C25 | 119.3° | 119.9° |
| C20 | C21 | C22 | 122.6° | 119.9° |
| C20 | C21 | CL27 | 116.7° | 120.0° |
| C20 | C25 | C24 | 120.0° | 119.9° |
| C20 | C25 | CL26 | 116.2° | 120.0° |
| C22 | C21 | CL27 | 120.8° | 120.1° |
| C21 | C22 | C23 | 118.8° | 120.1° |
| C21 | C22 | H22 | 120.6° | 119.9° |
| C22 | C23 | C24 | 119.9° | 120.1° |
| C22 | C23 | C28 | 117.4° | 119.9° |
| C23 | C22 | H22 | 120.6° | 120.0° |
| C24 | C23 | C28 | 122.8° | 120.0° |
| C23 | C24 | C25 | 119.5° | 120.1° |
| C23 | C24 | H24 | 120.3° | 120.0° |
| C23 | C28 | H28 | 109.5° | 109.5° |
| C23 | C28 | H28A | 109.5° | 109.5° |
| C23 | C28 | H28B | 109.5° | 109.5° |
| C24 | C25 | CL26 | 123.8° | 120.1° |
| C25 | C24 | H24 | 120.3° | 119.9° |
| C30 | C32 | C33 | 122.9° | 120.0° |
| C30 | C32 | C37 | 116.9° | 120.0° |
| C32 | C30 | H30 | 106.5° | 109.5° |
| C32 | C30 | H30A | 106.5° | 109.5° |
| C38 | C31 | C39 | 59.4° | 60.0° |
| C31 | C38 | C39 | 60.2° | 60.0° |
| C38 | C31 | H31 | 136.4° | 117.4° |
| C31 | C38 | H38 | 130.8° | 117.5° |
| C31 | C38 | H38A | 130.8° | 117.5° |
| C31 | C39 | C38 | 60.4° | 60.0° |
| C39 | C31 | H31 | 135.4° | 117.5° |
| C31 | C39 | H39 | 130.7° | 117.4° |
| C31 | C39 | H39A | 130.7° | 117.5° |
| C33 | C32 | C37 | 120.2° | 120.0° |
| C32 | C33 | C34 | 119.9° | 120.0° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C32 | C37 | C36 | 120.0° | 120.0° |
| C32 | C37 | CL40 | 119.1° | 120.0° |
| C33 | C34 | C35 | 119.7° | 120.0° |
| C33 | C34 | C41 | 119.5° | 120.0° |
| C34 | C33 | H33 | 120.0° | 120.0° |
| C35 | C34 | C41 | 120.8° | 120.0° |
| C34 | C35 | C36 | 120.7° | 120.0° |
| C34 | C35 | H35 | 119.6° | 120.0° |
| C34 | C41 | C42 | 105.2° | 109.5° |
| C34 | C41 | H41 | 110.9° | 109.5° |
| C34 | C41 | H41A | 110.9° | 109.5° |
| C35 | C36 | C37 | 119.4° | 120.0° |
| C36 | C35 | H35 | 119.6° | 120.0° |
| C35 | C36 | H36 | 120.3° | 120.0° |
| C36 | C37 | CL40 | 120.9° | 120.0° |
| C37 | C36 | H36 | 120.3° | 120.0° |
| C39 | C38 | H38 | 130.8° | 117.4° |
| C39 | C38 | H38A | 130.8° | 117.5° |
| C38 | C39 | H39 | 130.7° | 117.5° |
| C38 | C39 | H39A | 130.6° | 117.5° |
| C41 | C42 | O43 | 112.8° | 109.5° |
| C42 | C41 | H41 | 110.9° | 109.5° |
| C42 | C41 | H41A | 110.9° | 109.5° |
| C41 | C42 | H42 | 108.4° | 109.5° |
| C41 | C42 | H42A | 108.4° | 109.5° |
| C42 | O43 | C44 | 109.0° | 114.0° |
| O43 | C42 | H42 | 108.4° | 109.4° |
| O43 | C42 | H42A | 108.3° | 109.4° |
| O43 | C44 | H44 | 109.5° | 109.4° |
| O43 | C44 | H44A | 109.5° | 109.5° |
| O43 | C44 | H44B | 109.5° | 109.5° |
| H1 | C1 | H1A | 108.9° | 109.6° |
| H2 | C2 | H2A | 109.9° | 109.5° |
| H4 | C4 | H4A | 109.0° | 109.5° |
| H17 | C17 | H17A | 108.9° | 109.5° |
| H18 | C18 | H18A | 107.9° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.4° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H30 | C30 | H30A | 112.2° | 109.4° |
| H38 | C38 | H38A | 81.9° | 115.6° |
| H39 | C39 | H39A | 82.1° | 115.6° |
| H41 | C41 | H41A | 108.0° | 109.5° |
| H42 | C42 | H42A | 110.5° | 109.5° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| H44 | C44 | H44B | 109.5° | 109.4° |
| H44A | C44 | H44B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 120.0° | 119.9° |
| C2 | C1 | C6 | H1A | 120.0° | 120.0° |
| C1 | C2 | N3 | H2 | 120.0° | 120.0° |
| C1 | C2 | N3 | H2A | 120.0° | 120.0° |
| C1 | C2 | N3 | C4 | 59.1° | 61.7° |
| C2 | C1 | C6 | C5 | 54.9° | 57.7° |
| C2 | C1 | C6 | O9 | 66.9° | 62.3° |
| C2 | C1 | C6 | C10 | 177.4° | 177.6° |
| C2 | C1 | H1 | H1A | 120.7° | 120.2° |
| C1 | C2 | H2 | H2A | 119.6° | 119.9° |
| C1 | C2 | N3 | HN3 | 179.2° | 174.2° |
| C6 | C1 | C2 | N3 | 54.5° | 59.2° |
| C1 | C6 | C5 | C4 | 53.2° | 57.6° |
| C1 | C6 | C5 | O9 | 120.1° | 119.9° |
| C1 | C6 | C5 | C10 | 121.4° | 119.9° |
| C1 | C6 | C5 | C7 | 176.2° | 177.6° |
| C1 | C6 | O9 | C10 | 115.9° | 120.2° |
| C1 | C6 | C10 | C11 | 40.1° | 90.0° |
| C1 | C6 | C10 | C15 | 141.3° | 89.7° |
| C6 | C1 | H1 | H1A | 120.6° | 120.0° |
| C6 | C1 | C2 | H2 | 65.4° | 60.8° |
| C6 | C1 | C2 | H2A | 174.5° | 179.2° |
| C1 | C6 | C5 | H5 | 64.8° | 62.3° |
| C1 | C6 | O9 | HO9 | 147.4° | 60.0° |
| C2 | N3 | C4 | HN3 | 120.0° | 124.1° |
| C2 | N3 | C4 | C5 | 54.7° | 61.7° |
| N3 | C2 | C1 | H1 | 65.5° | 60.7° |
| N3 | C2 | C1 | H1A | 174.5° | 179.1° |
| N3 | C2 | H2 | H2A | 119.5° | 120.0° |
| C2 | N3 | C4 | H4 | 65.3° | 58.3° |
| C2 | N3 | C4 | H4A | 174.7° | 178.3° |
| N3 | C4 | C5 | H4 | 120.0° | 120.0° |
| N3 | C4 | C5 | H4A | 120.0° | 120.0° |
| N3 | C4 | C5 | C6 | 48.4° | 59.2° |
| N3 | C4 | C5 | C7 | 170.1° | 179.1° |
| C4 | N3 | C2 | H2 | 60.9° | 58.3° |
| C4 | N3 | C2 | H2A | 179.1° | 178.3° |
| N3 | C4 | H4 | H4A | 120.5° | 120.0° |
| N3 | C4 | C5 | H5 | 71.0° | 60.8° |
| C4 | C5 | C6 | C7 | 123.0° | 119.9° |
| C4 | C5 | C6 | H5 | 118.0° | 119.9° |
| C4 | C5 | C7 | H5 | 117.9° | 120.1° |
| C4 | C5 | C6 | O9 | 66.9° | 62.2° |
| C4 | C5 | C6 | C10 | 174.6° | 177.5° |
| C4 | C5 | C7 | N8 | 137.1° | 60.0° |
| C4 | C5 | C7 | O29 | 43.3° | 120.0° |
| C5 | C4 | N3 | HN3 | 174.7° | 174.2° |
| C5 | C4 | H4 | H4A | 120.5° | 119.9° |
| C6 | C5 | C7 | H5 | 119.5° | 120.1° |
| C5 | C6 | O9 | C10 | 120.0° | 120.2° |
| C6 | C5 | C7 | N8 | 100.2° | 179.8° |
| C6 | C5 | C7 | O29 | 79.3° | 0.2° |
| C5 | C6 | C10 | C11 | 84.6° | 29.7° |
| C5 | C6 | C10 | C15 | 94.0° | 150.6° |
| C5 | C6 | C1 | H1 | 65.1° | 62.3° |
| C5 | C6 | C1 | H1A | 174.9° | 177.6° |
| C6 | C5 | C4 | H4 | 71.6° | 60.9° |
| C6 | C5 | C4 | H4A | 168.4° | 179.2° |
| C5 | C6 | O9 | HO9 | 23.3° | 179.7° |
| C7 | C5 | C6 | O9 | 56.1° | 57.7° |
| C7 | C5 | C6 | C10 | 62.4° | 62.5° |
| C5 | C7 | N8 | O29 | 179.5° | 180.0° |
| C5 | C7 | N8 | C30 | 175.8° | 176.4° |
| C5 | C7 | N8 | C31 | 1.4° | 3.7° |
| C7 | C5 | C4 | H4 | 50.0° | 59.1° |
| C7 | C5 | C4 | H4A | 69.9° | 60.9° |
| O9 | C6 | C10 | C11 | 155.4° | 149.9° |
| O9 | C6 | C10 | C15 | 26.1° | 30.4° |
| O9 | C6 | C1 | H1 | 173.1° | 177.8° |
| O9 | C6 | C1 | H1A | 53.1° | 57.7° |
| O9 | C6 | C5 | H5 | 175.2° | 177.8° |
| C6 | C10 | C11 | C15 | 178.5° | 179.7° |
| C6 | C10 | C11 | N12 | 179.5° | 180.0° |
| C6 | C10 | C15 | C14 | 178.9° | 179.7° |
| C10 | C6 | C1 | H1 | 57.4° | 57.6° |
| C10 | C6 | C1 | H1A | 62.5° | 62.5° |
| C10 | C6 | C5 | H5 | 56.7° | 57.6° |
| C10 | C6 | O9 | HO9 | 96.7° | 60.2° |
| C6 | C10 | C11 | H11 | 0.5° | 0.0° |
| C6 | C10 | C15 | H15 | 1.1° | 0.0° |
| C7 | N8 | C30 | C31 | 174.8° | 179.9° |
| C7 | N8 | C30 | C32 | 85.1° | 70.7° |
| C7 | N8 | C31 | C38 | 71.1° | 112.3° |
| C7 | N8 | C31 | C39 | 134.4° | 179.0° |
| N8 | C7 | C5 | H5 | 19.2° | 60.0° |
| C7 | N8 | C30 | H30 | 154.9° | 49.3° |
| C7 | N8 | C30 | H30A | 35.0° | 169.3° |
| C7 | N8 | C31 | H31 | 77.4° | 33.2° |
| O29 | C7 | N8 | C30 | 3.7° | 3.6° |
| O29 | C7 | N8 | C31 | 178.1° | 176.4° |
| O29 | C7 | C5 | H5 | 161.2° | 119.9° |
| N8 | C30 | C32 | H30 | 120.0° | 120.0° |
| N8 | C30 | C32 | H30A | 120.0° | 120.0° |
| C30 | N8 | C31 | C38 | 114.0° | 67.6° |
| C30 | N8 | C31 | C39 | 50.8° | 1.0° |
| N8 | C30 | C32 | C33 | 4.4° | 102.1° |
| N8 | C30 | C32 | C37 | 174.0° | 78.2° |
| N8 | C30 | H30 | H30A | 116.2° | 120.0° |
| C30 | N8 | C31 | H31 | 97.4° | 146.8° |
| C31 | N8 | C30 | C32 | 100.1° | 109.4° |
| N8 | C31 | C38 | C39 | 102.4° | 107.5° |
| N8 | C31 | C38 | H31 | 132.3° | 144.9° |
| N8 | C31 | C39 | H31 | 132.9° | 145.1° |
| C31 | N8 | C30 | H30 | 19.9° | 130.6° |
| C31 | N8 | C30 | H30A | 139.9° | 10.7° |
| N8 | C31 | C38 | H38 | 17.6° | 0.1° |
| N8 | C31 | C38 | H38A | 137.6° | 145.0° |
| N8 | C31 | C39 | H39 | 139.7° | 145.0° |
| N8 | C31 | C39 | H39A | 19.7° | 0.0° |
| C10 | C11 | N12 | H11 | 180.0° | 180.0° |
| C10 | C11 | N12 | C13 | 0.8° | 0.0° |
| C11 | C10 | C15 | C14 | 0.3° | 0.6° |
| C11 | C10 | C15 | H15 | 179.7° | 179.7° |
| C15 | C10 | C11 | N12 | 1.0° | 0.3° |
| C10 | C15 | C14 | C13 | 0.6° | 0.5° |
| C10 | C15 | C14 | H15 | 180.0° | 179.8° |
| C15 | C10 | C11 | H11 | 179.0° | 179.7° |
| C10 | C15 | C14 | H14 | 179.4° | 179.7° |
| C11 | N12 | C13 | C14 | 0.0° | 0.0° |
| C11 | N12 | C13 | O16 | 179.7° | 180.0° |
| N12 | C13 | C14 | O16 | 179.7° | 180.0° |
| N12 | C13 | C14 | C15 | 0.7° | 0.3° |
| N12 | C13 | O16 | C17 | 17.4° | 0.0° |
| C13 | N12 | C11 | H11 | 179.2° | 180.0° |
| N12 | C13 | C14 | H14 | 179.3° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C14 | C13 | O16 | C17 | 162.3° | 180.0° |
| C13 | C14 | C15 | H15 | 179.5° | 179.7° |
| O16 | C13 | C14 | C15 | 179.5° | 179.8° |
| C13 | O16 | C17 | C18 | 141.4° | 180.0° |
| O16 | C13 | C14 | H14 | 0.5° | 0.0° |
| C13 | O16 | C17 | H17 | 21.4° | 60.0° |
| C13 | O16 | C17 | H17A | 98.6° | 60.0° |
| O16 | C17 | C18 | H17 | 120.0° | 120.0° |
| O16 | C17 | C18 | H17A | 120.0° | 120.0° |
| O16 | C17 | C18 | O19 | 115.1° | 65.0° |
| O16 | C17 | H17 | H17A | 120.7° | 120.1° |
| O16 | C17 | C18 | H18 | 124.9° | 175.0° |
| O16 | C17 | C18 | H18A | 4.9° | 55.0° |
| C17 | C18 | O19 | H18 | 120.0° | 119.9° |
| C17 | C18 | O19 | H18A | 120.0° | 120.0° |
| C17 | C18 | O19 | C20 | 144.1° | 180.0° |
| C18 | C17 | H17 | H17A | 120.8° | 120.0° |
| C17 | C18 | H18 | H18A | 121.8° | 120.0° |
| C18 | O19 | C20 | C21 | 85.6° | 90.0° |
| C18 | O19 | C20 | C25 | 93.6° | 90.3° |
| O19 | C18 | C17 | H17 | 4.9° | 55.0° |
| O19 | C18 | C17 | H17A | 124.9° | 175.0° |
| O19 | C18 | H18 | H18A | 121.8° | 120.0° |
| O19 | C20 | C21 | C25 | 179.2° | 179.7° |
| O19 | C20 | C21 | C22 | 179.6° | 180.0° |
| O19 | C20 | C21 | CL27 | 0.4° | 0.0° |
| O19 | C20 | C25 | C24 | 179.1° | 179.7° |
| O19 | C20 | C25 | CL26 | 0.4° | 0.0° |
| C20 | O19 | C18 | H18 | 95.9° | 60.0° |
| C20 | O19 | C18 | H18A | 24.1° | 60.0° |
| C20 | C21 | C22 | CL27 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.1° |
| C21 | C20 | C25 | C24 | 0.1° | 0.6° |
| C21 | C20 | C25 | CL26 | 179.6° | 179.7° |
| C20 | C21 | C22 | H22 | 179.5° | 179.9° |
| C25 | C20 | C21 | C22 | 0.4° | 0.3° |
| C25 | C20 | C21 | CL27 | 179.7° | 179.7° |
| C20 | C25 | C24 | C23 | 0.3° | 0.6° |
| C20 | C25 | C24 | CL26 | 179.5° | 179.7° |
| C20 | C25 | C24 | H24 | 179.7° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | C28 | 179.7° | 180.0° |
| CL27 | C21 | C22 | C23 | 179.5° | 180.0° |
| CL27 | C21 | C22 | H22 | 0.5° | 0.1° |
| C22 | C23 | C24 | C28 | 179.9° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.3° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| C22 | C23 | C28 | H28 | 90.0° | 89.9° |
| C22 | C23 | C28 | H28A | 150.0° | 150.0° |
| C22 | C23 | C28 | H28B | 30.0° | 30.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.7° |
| C23 | C24 | C25 | CL26 | 179.8° | 179.7° |
| C24 | C23 | C22 | H22 | 179.8° | 179.9° |
| C24 | C23 | C28 | H28 | 90.0° | 90.0° |
| C24 | C23 | C28 | H28A | 30.1° | 30.1° |
| C24 | C23 | C28 | H28B | 150.1° | 150.0° |
| C28 | C23 | C24 | C25 | 179.9° | 179.7° |
| C28 | C23 | C22 | H22 | 0.3° | 0.1° |
| C28 | C23 | C24 | H24 | 0.1° | 0.0° |
| C23 | C28 | H28 | H28A | 120.0° | 120.1° |
| C23 | C28 | H28 | H28B | 120.0° | 120.0° |
| C23 | C28 | H28A | H28B | 120.0° | 120.0° |
| CL26 | C25 | C24 | H24 | 0.2° | 0.0° |
| C30 | C32 | C33 | C37 | 178.4° | 179.7° |
| C30 | C32 | C33 | C34 | 179.6° | 180.0° |
| C30 | C32 | C37 | C36 | 179.7° | 179.7° |
| C30 | C32 | C37 | CL40 | 1.1° | 0.0° |
| C32 | C30 | H30 | H30A | 116.2° | 120.0° |
| C30 | C32 | C33 | H33 | 0.3° | 0.0° |
| C38 | C31 | C39 | H31 | 126.8° | 107.4° |
| C31 | C38 | C39 | H38 | 120.0° | 107.5° |
| C31 | C38 | C39 | H38A | 120.0° | 107.5° |
| C31 | C38 | H38 | H38A | 138.5° | 145.7° |
| C38 | C31 | C39 | H39 | 120.0° | 107.5° |
| C38 | C31 | C39 | H39A | 120.0° | 107.5° |
| C31 | C39 | H39 | H39A | 138.5° | 145.6° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.8° | 0.0° |
| C32 | C33 | C34 | C41 | 179.0° | 180.0° |
| C33 | C32 | C37 | C36 | 1.2° | 0.6° |
| C33 | C32 | C37 | CL40 | 179.6° | 179.7° |
| C33 | C32 | C30 | H30 | 124.4° | 18.0° |
| C33 | C32 | C30 | H30A | 115.6° | 137.9° |
| C37 | C32 | C33 | C34 | 1.2° | 0.3° |
| C32 | C37 | C36 | C35 | 0.7° | 0.6° |
| C32 | C37 | C36 | CL40 | 179.2° | 179.7° |
| C37 | C32 | C30 | H30 | 54.0° | 161.8° |
| C37 | C32 | C30 | H30A | 66.0° | 41.9° |
| C37 | C32 | C33 | H33 | 178.7° | 179.7° |
| C32 | C37 | C36 | H36 | 179.2° | 179.6° |
| C33 | C34 | C35 | C41 | 178.2° | 180.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C33 | C34 | C41 | C42 | 75.1° | 90.0° |
| C33 | C34 | C35 | H35 | 179.7° | 179.9° |
| C33 | C34 | C41 | H41 | 165.0° | 150.0° |
| C33 | C34 | C41 | H41A | 44.9° | 30.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.3° | 0.3° |
| C35 | C34 | C41 | C42 | 103.1° | 90.0° |
| C35 | C34 | C33 | H33 | 179.2° | 180.0° |
| C34 | C35 | C36 | H36 | 179.7° | 179.9° |
| C35 | C34 | C41 | H41 | 16.9° | 30.0° |
| C35 | C34 | C41 | H41A | 136.9° | 150.0° |
| C41 | C34 | C35 | C36 | 178.5° | 180.0° |
| C34 | C41 | C42 | H41 | 120.0° | 120.0° |
| C34 | C41 | C42 | H41A | 120.0° | 120.0° |
| C34 | C41 | C42 | O43 | 159.6° | 180.0° |
| C41 | C34 | C33 | H33 | 1.0° | 0.0° |
| C41 | C34 | C35 | H35 | 1.5° | 0.1° |
| C34 | C41 | H41 | H41A | 121.7° | 120.0° |
| C34 | C41 | C42 | H42 | 80.4° | 60.1° |
| C34 | C41 | C42 | H42A | 39.6° | 60.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C35 | C36 | C37 | CL40 | 179.9° | 179.7° |
| C37 | C36 | C35 | H35 | 179.7° | 179.8° |
| CL40 | C37 | C36 | H36 | 0.1° | 0.1° |
| C39 | C38 | H38 | H38A | 138.5° | 145.7° |
| C38 | C39 | H39 | H39A | 138.4° | 145.8° |
| C41 | C42 | O43 | H42 | 120.0° | 120.0° |
| C41 | C42 | O43 | H42A | 120.0° | 120.0° |
| C41 | C42 | O43 | C44 | 94.6° | 180.0° |
| C42 | C41 | H41 | H41A | 121.7° | 120.0° |
| C41 | C42 | H42 | H42A | 118.7° | 120.1° |
| O43 | C42 | C41 | H41 | 39.6° | 60.0° |
| O43 | C42 | C41 | H41A | 80.4° | 60.0° |
| O43 | C42 | H42 | H42A | 118.6° | 119.9° |
| C42 | O43 | C44 | H44 | 180.0° | 60.0° |
| C42 | O43 | C44 | H44A | 60.0° | 60.0° |
| C42 | O43 | C44 | H44B | 60.0° | 180.0° |
| C44 | O43 | C42 | H42 | 25.4° | 60.0° |
| C44 | O43 | C42 | H42A | 145.4° | 60.0° |
| O43 | C44 | H44 | H44A | 120.0° | 120.0° |
| O43 | C44 | H44 | H44B | 120.0° | 120.0° |
| O43 | C44 | H44A | H44B | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 174.5° | 179.3° |
| H1 | C1 | C2 | H2A | 54.5° | 59.3° |
| H1A | C1 | C2 | H2 | 54.6° | 59.1° |
| H1A | C1 | C2 | H2A | 65.5° | 60.9° |
| H2 | C2 | N3 | HN3 | 59.1° | 65.9° |
| H2A | C2 | N3 | HN3 | 60.9° | 54.2° |
| HN3 | N3 | C4 | H4 | 54.7° | 65.9° |
| HN3 | N3 | C4 | H4A | 65.3° | 54.1° |
| H4 | C4 | C5 | H5 | 169.0° | 179.2° |
| H4A | C4 | C5 | H5 | 49.0° | 59.2° |
| H14 | C14 | C15 | H15 | 0.5° | 0.1° |
| H17 | C17 | C18 | H18 | 115.1° | 65.0° |
| H17 | C17 | C18 | H18A | 124.9° | 175.0° |
| H17A | C17 | C18 | H18 | 4.9° | 55.0° |
| H17A | C17 | C18 | H18A | 115.1° | 65.0° |
| H28 | C28 | H28A | H28B | 120.0° | 119.9° |
| H31 | C31 | C38 | H38 | 114.6° | 145.0° |
| H31 | C31 | C38 | H38A | 5.3° | 0.1° |
| H31 | C31 | C39 | H39 | 6.8° | 0.1° |
| H31 | C31 | C39 | H39A | 113.2° | 145.1° |
| H35 | C35 | C36 | H36 | 0.3° | 0.0° |
| H38 | C38 | C39 | H39 | 120.0° | 145.0° |
| H38 | C38 | C39 | H39A | 0.0° | 0.1° |
| H38A | C38 | C39 | H39 | 0.0° | 0.1° |
| H38A | C38 | C39 | H39A | 120.0° | 145.0° |
| H41 | C41 | C42 | H42 | 159.6° | 180.0° |
| H41 | C41 | C42 | H42A | 80.4° | 59.9° |
| H41A | C41 | C42 | H42 | 39.6° | 60.0° |
| H41A | C41 | C42 | H42A | 159.6° | 179.9° |
| H44 | C44 | H44A | H44B | 120.0° | 119.9° |
