LPQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| 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 | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C15 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.32Å | 1.35Å | Aromatic |
| N9 | C10 | doub | 1.32Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O13 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.42Å | |
| C14 | C18 | sing | 1.53Å | 1.52Å | |
| C15 | O16 | doub | 1.21Å | 1.22Å | |
| C15 | N17 | sing | 1.35Å | 1.35Å | |
| N17 | C29 | sing | 1.46Å | 1.47Å | |
| N17 | C30 | sing | 1.46Å | 1.47Å | |
| C18 | O19 | sing | 1.43Å | 1.42Å | |
| O19 | C20 | sing | 1.36Å | 1.37Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | CL26 | sing | 1.74Å | 1.80Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | CL27 | sing | 1.74Å | 1.80Å | |
| C29 | C31 | sing | 1.51Å | 1.51Å | |
| C30 | C40 | sing | 1.53Å | 1.53Å | |
| C30 | C41 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C38 | sing | 1.51Å | 1.51Å | |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | CL37 | sing | 1.74Å | 1.80Å | |
| C38 | N39 | sing | 1.47Å | 1.47Å | |
| N39 | C42 | sing | 1.47Å | 1.46Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | 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 | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| N39 | HN39 | sing | 1.01Å | 1.00Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | 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 | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 110.1° | 109.3° |
| C1 | C2 | N3 | 111.0° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C2 | C1 | H1A | 109.3° | 109.5° |
| C1 | C2 | H2 | 109.0° | 109.5° |
| C1 | C2 | H2A | 109.0° | 109.5° |
| C1 | C6 | C5 | 114.7° | 109.2° |
| C1 | C6 | C7 | 113.0° | 109.5° |
| C6 | C1 | H1 | 109.3° | 109.6° |
| C6 | C1 | H1A | 109.3° | 109.5° |
| C1 | C6 | H6 | 103.4° | 109.6° |
| C2 | N3 | C4 | 120.2° | 111.2° |
| N3 | C2 | H2 | 109.0° | 109.5° |
| N3 | C2 | H2A | 109.0° | 109.5° |
| C2 | N3 | HN3 | 106.0° | 111.0° |
| N3 | C4 | C5 | 110.1° | 109.5° |
| C4 | N3 | HN3 | 106.0° | 111.0° |
| N3 | C4 | H4 | 109.3° | 109.4° |
| N3 | C4 | H4A | 109.2° | 109.5° |
| C4 | C5 | C6 | 111.8° | 109.3° |
| C4 | C5 | C15 | 114.3° | 109.5° |
| C5 | C4 | H4 | 109.3° | 109.4° |
| C5 | C4 | H4A | 109.3° | 109.5° |
| C4 | C5 | H5 | 103.2° | 109.5° |
| C6 | C5 | C15 | 105.3° | 109.5° |
| C5 | C6 | C7 | 110.2° | 109.5° |
| C6 | C5 | H5 | 112.5° | 109.5° |
| C5 | C6 | H6 | 106.6° | 109.5° |
| C5 | C15 | O16 | 118.0° | 120.0° |
| C5 | C15 | N17 | 120.8° | 120.0° |
| C15 | C5 | H5 | 109.9° | 109.5° |
| C6 | C7 | C8 | 122.8° | 120.4° |
| C6 | C7 | C12 | 118.2° | 120.3° |
| C7 | C6 | H6 | 108.5° | 109.6° |
| C8 | C7 | C12 | 119.0° | 119.3° |
| C7 | C8 | N9 | 120.0° | 120.8° |
| C7 | C8 | H8 | 120.0° | 119.6° |
| C7 | C12 | C11 | 120.5° | 118.5° |
| C7 | C12 | H12 | 119.7° | 120.8° |
| C8 | N9 | C10 | 121.5° | 121.7° |
| N9 | C8 | H8 | 120.0° | 119.6° |
| N9 | C10 | C11 | 120.6° | 120.6° |
| N9 | C10 | O13 | 122.1° | 119.7° |
| C11 | C10 | O13 | 117.3° | 119.7° |
| C10 | C11 | C12 | 118.4° | 119.1° |
| C10 | C11 | H11 | 120.8° | 120.4° |
| C10 | O13 | C14 | 124.1° | 117.0° |
| C12 | C11 | H11 | 120.8° | 120.4° |
| C11 | C12 | H12 | 119.8° | 120.7° |
| O13 | C14 | C18 | 107.4° | 109.4° |
| O13 | C14 | H14 | 110.2° | 109.4° |
| O13 | C14 | H14A | 110.2° | 109.5° |
| C14 | C18 | O19 | 107.8° | 109.5° |
| C18 | C14 | H14 | 110.2° | 109.5° |
| C18 | C14 | H14A | 110.2° | 109.5° |
| C14 | C18 | H18 | 110.0° | 109.4° |
| C14 | C18 | H18A | 110.0° | 109.5° |
| O16 | C15 | N17 | 121.1° | 120.0° |
| C15 | N17 | C29 | 125.2° | 120.0° |
| C15 | N17 | C30 | 121.5° | 120.0° |
| C29 | N17 | C30 | 113.1° | 120.0° |
| N17 | C29 | C31 | 120.7° | 109.5° |
| N17 | C29 | H29 | 105.9° | 109.5° |
| N17 | C29 | H29A | 105.9° | 109.5° |
| N17 | C30 | C40 | 106.1° | 117.5° |
| N17 | C30 | C41 | 112.3° | 117.5° |
| N17 | C30 | H30 | 102.0° | 115.5° |
| C18 | O19 | C20 | 120.9° | 117.0° |
| O19 | C18 | H18 | 110.0° | 109.5° |
| O19 | C18 | H18A | 110.0° | 109.5° |
| O19 | C20 | C21 | 118.3° | 120.1° |
| O19 | C20 | C25 | 121.4° | 120.1° |
| C21 | C20 | C25 | 120.3° | 119.9° |
| C20 | C21 | C22 | 120.1° | 119.9° |
| C20 | C21 | CL26 | 119.0° | 120.0° |
| C20 | C25 | C24 | 120.0° | 119.9° |
| C20 | C25 | CL27 | 121.0° | 120.0° |
| C22 | C21 | CL26 | 120.9° | 120.0° |
| C21 | C22 | C23 | 119.5° | 120.1° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| C22 | C23 | C24 | 120.7° | 120.1° |
| C22 | C23 | C28 | 119.8° | 119.9° |
| C23 | C22 | H22 | 120.2° | 119.9° |
| C24 | C23 | C28 | 119.4° | 119.9° |
| C23 | C24 | C25 | 119.4° | 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 | CL27 | 119.0° | 120.0° |
| C25 | C24 | H24 | 120.3° | 119.9° |
| C29 | C31 | C32 | 120.1° | 120.0° |
| C29 | C31 | C36 | 119.8° | 120.0° |
| C31 | C29 | H29 | 105.9° | 109.5° |
| C31 | C29 | H29A | 105.9° | 109.4° |
| C40 | C30 | C41 | 59.3° | 60.0° |
| C30 | C40 | C41 | 60.3° | 60.0° |
| C40 | C30 | H30 | 138.5° | 117.5° |
| C30 | C40 | H40 | 130.7° | 117.5° |
| C30 | C40 | H40A | 130.7° | 117.5° |
| C30 | C41 | C40 | 60.4° | 60.0° |
| C41 | C30 | H30 | 133.4° | 117.5° |
| C30 | C41 | H41 | 130.6° | 117.5° |
| C30 | C41 | H41A | 130.7° | 117.5° |
| C32 | C31 | C36 | 120.1° | 120.0° |
| C31 | C32 | C33 | 120.5° | 120.0° |
| C31 | C32 | H32 | 119.7° | 120.0° |
| C31 | C36 | C35 | 120.2° | 120.0° |
| C31 | C36 | CL37 | 119.3° | 120.1° |
| C32 | C33 | C34 | 120.0° | 120.0° |
| C32 | C33 | C38 | 116.4° | 120.0° |
| C33 | C32 | H32 | 119.8° | 120.0° |
| C34 | C33 | C38 | 123.6° | 120.0° |
| C33 | C34 | C35 | 119.9° | 120.0° |
| C33 | C34 | H34 | 120.1° | 119.9° |
| C33 | C38 | N39 | 108.0° | 109.5° |
| C33 | C38 | H38 | 110.0° | 109.5° |
| C33 | C38 | H38A | 110.0° | 109.5° |
| C34 | C35 | C36 | 119.3° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C34 | C35 | H35 | 120.4° | 120.0° |
| C35 | C36 | CL37 | 120.4° | 120.0° |
| C36 | C35 | H35 | 120.3° | 120.0° |
| C38 | N39 | C42 | 121.1° | 111.0° |
| N39 | C38 | H38 | 110.0° | 109.4° |
| N39 | C38 | H38A | 110.0° | 109.4° |
| C38 | N39 | HN39 | 105.8° | 111.0° |
| N39 | C42 | C43 | 113.7° | 117.5° |
| N39 | C42 | C44 | 111.5° | 117.5° |
| C42 | N39 | HN39 | 105.8° | 111.0° |
| N39 | C42 | H42 | 98.5° | 115.6° |
| C41 | C40 | H40 | 130.7° | 117.5° |
| C41 | C40 | H40A | 130.7° | 117.5° |
| C40 | C41 | H41 | 130.7° | 117.5° |
| C40 | C41 | H41A | 130.7° | 117.5° |
| C43 | C42 | C44 | 59.7° | 60.0° |
| C42 | C43 | C44 | 60.4° | 60.0° |
| C43 | C42 | H42 | 134.5° | 117.5° |
| C42 | C43 | H43 | 130.7° | 117.5° |
| C42 | C43 | H43A | 130.7° | 117.5° |
| C42 | C44 | C43 | 59.9° | 60.0° |
| C44 | C42 | H42 | 136.4° | 117.5° |
| C42 | C44 | H44 | 130.9° | 117.5° |
| C42 | C44 | H44A | 130.9° | 117.5° |
| C44 | C43 | H43 | 130.7° | 117.6° |
| C44 | C43 | H43A | 130.6° | 117.5° |
| C43 | C44 | H44 | 130.9° | 117.5° |
| C43 | C44 | H44A | 130.9° | 117.5° |
| H1 | C1 | H1A | 109.6° | 109.5° |
| H2 | C2 | H2A | 110.0° | 109.4° |
| H4 | C4 | H4A | 109.7° | 109.5° |
| H14 | C14 | H14A | 108.7° | 109.5° |
| H18 | C18 | H18A | 108.9° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H29 | C29 | H29A | 112.8° | 109.5° |
| H38 | C38 | H38A | 108.9° | 109.4° |
| H40 | C40 | H40A | 82.1° | 115.6° |
| H41 | C41 | H41A | 82.2° | 115.5° |
| H43 | C43 | H43A | 82.1° | 115.5° |
| H44 | C44 | H44A | 81.7° | 115.5° |
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° | 119.9° |
| C1 | C2 | N3 | H2 | 120.0° | 120.0° |
| C1 | C2 | N3 | H2A | 120.0° | 120.0° |
| C1 | C2 | N3 | C4 | 54.2° | 61.8° |
| C2 | C1 | C6 | C5 | 50.6° | 57.7° |
| C2 | C1 | C6 | C7 | 177.9° | 177.6° |
| C2 | C1 | H1 | H1A | 119.8° | 120.0° |
| C1 | C2 | H2 | H2A | 119.4° | 120.0° |
| C1 | C2 | N3 | HN3 | 174.2° | 174.1° |
| C2 | C1 | C6 | H6 | 65.0° | 62.2° |
| C6 | C1 | C2 | N3 | 49.9° | 59.2° |
| C1 | C6 | C5 | C4 | 49.3° | 57.7° |
| C1 | C6 | C5 | C7 | 128.8° | 119.9° |
| C1 | C6 | C5 | H6 | 113.7° | 120.0° |
| C1 | C6 | C5 | C15 | 174.0° | 177.6° |
| C1 | C6 | C7 | H6 | 114.0° | 120.2° |
| C1 | C6 | C7 | C8 | 46.4° | 60.0° |
| C1 | C6 | C7 | C12 | 135.3° | 119.7° |
| C6 | C1 | H1 | H1A | 119.7° | 120.1° |
| C6 | C1 | C2 | H2 | 70.1° | 60.8° |
| C6 | C1 | C2 | H2A | 169.9° | 179.2° |
| C1 | C6 | C5 | H5 | 66.3° | 62.2° |
| C2 | N3 | C4 | HN3 | 120.0° | 124.1° |
| C2 | N3 | C4 | C5 | 51.6° | 61.7° |
| N3 | C2 | C1 | H1 | 70.1° | 60.8° |
| N3 | C2 | C1 | H1A | 169.9° | 179.2° |
| N3 | C2 | H2 | H2A | 119.3° | 120.0° |
| C2 | N3 | C4 | H4 | 68.4° | 58.3° |
| C2 | N3 | C4 | H4A | 171.6° | 178.2° |
| N3 | C4 | C5 | H4 | 120.0° | 120.0° |
| N3 | C4 | C5 | H4A | 120.0° | 120.1° |
| N3 | C4 | C5 | C6 | 45.7° | 59.1° |
| N3 | C4 | C5 | C15 | 165.3° | 179.1° |
| C4 | N3 | C2 | H2 | 65.8° | 58.3° |
| C4 | N3 | C2 | H2A | 174.2° | 178.2° |
| N3 | C4 | H4 | H4A | 119.7° | 120.0° |
| N3 | C4 | C5 | H5 | 75.4° | 60.8° |
| C4 | C5 | C6 | C15 | 124.7° | 120.0° |
| C4 | C5 | C6 | H5 | 115.6° | 119.9° |
| C4 | C5 | C15 | H5 | 115.4° | 120.1° |
| C4 | C5 | C6 | C7 | 178.0° | 177.5° |
| C4 | C5 | C15 | O16 | 55.9° | 120.0° |
| C4 | C5 | C15 | N17 | 127.3° | 60.0° |
| C5 | C4 | N3 | HN3 | 171.6° | 174.2° |
| C5 | C4 | H4 | H4A | 119.7° | 120.0° |
| C4 | C5 | C6 | H6 | 64.4° | 62.3° |
| C6 | C5 | C15 | H5 | 121.4° | 120.1° |
| C5 | C6 | C7 | H6 | 116.3° | 120.1° |
| C5 | C6 | C7 | C8 | 83.2° | 59.7° |
| C5 | C6 | C7 | C12 | 95.1° | 120.6° |
| C6 | C5 | C15 | O16 | 67.3° | 0.2° |
| C6 | C5 | C15 | N17 | 109.6° | 179.8° |
| C5 | C6 | C1 | H1 | 69.4° | 62.2° |
| C5 | C6 | C1 | H1A | 170.6° | 177.6° |
| C6 | C5 | C4 | H4 | 74.3° | 60.8° |
| C6 | C5 | C4 | H4A | 165.7° | 179.2° |
| C15 | C5 | C6 | C7 | 57.2° | 62.5° |
| C5 | C15 | O16 | N17 | 176.9° | 180.0° |
| C5 | C15 | N17 | C29 | 174.5° | 176.4° |
| C5 | C15 | N17 | C30 | 1.4° | 3.6° |
| C15 | C5 | C4 | H4 | 45.3° | 59.1° |
| C15 | C5 | C4 | H4A | 74.7° | 60.8° |
| C15 | C5 | C6 | H6 | 60.3° | 57.7° |
| C6 | C7 | C8 | C12 | 178.3° | 179.7° |
| C6 | C7 | C8 | N9 | 178.8° | 180.0° |
| C6 | C7 | C12 | C11 | 178.5° | 179.7° |
| C7 | C6 | C1 | H1 | 57.9° | 57.6° |
| C7 | C6 | C1 | H1A | 62.0° | 62.6° |
| C7 | C6 | C5 | H5 | 62.5° | 57.6° |
| C6 | C7 | C8 | H8 | 1.2° | 0.0° |
| C6 | C7 | C12 | H12 | 1.5° | 0.0° |
| C7 | C8 | N9 | H8 | 180.0° | 180.0° |
| C7 | C8 | N9 | C10 | 0.7° | 0.1° |
| C8 | C7 | C12 | C11 | 0.2° | 0.6° |
| C8 | C7 | C6 | H6 | 160.4° | 179.8° |
| C8 | C7 | C12 | H12 | 179.8° | 179.7° |
| C12 | C7 | C8 | N9 | 0.5° | 0.2° |
| C7 | C12 | C11 | C10 | 0.1° | 0.6° |
| C7 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C7 | C6 | H6 | 21.3° | 0.5° |
| C12 | C7 | C8 | H8 | 179.5° | 179.7° |
| C7 | C12 | C11 | H11 | 179.9° | 179.7° |
| C8 | N9 | C10 | C11 | 0.6° | 0.1° |
| C8 | N9 | C10 | O13 | 179.4° | 180.0° |
| N9 | C10 | C11 | O13 | 178.8° | 180.0° |
| N9 | C10 | C11 | C12 | 0.3° | 0.3° |
| N9 | C10 | O13 | C14 | 22.3° | 0.0° |
| C10 | N9 | C8 | H8 | 179.3° | 179.9° |
| N9 | C10 | C11 | H11 | 179.7° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.7° |
| C11 | C10 | O13 | C14 | 158.9° | 180.0° |
| C10 | C11 | C12 | H12 | 179.9° | 179.7° |
| O13 | C10 | C11 | C12 | 179.1° | 179.7° |
| C10 | O13 | C14 | C18 | 136.0° | 180.0° |
| O13 | C10 | C11 | H11 | 0.9° | 0.0° |
| C10 | O13 | C14 | H14 | 16.0° | 60.0° |
| C10 | O13 | C14 | H14A | 104.0° | 60.0° |
| O13 | C14 | C18 | H14 | 120.0° | 119.9° |
| O13 | C14 | C18 | H14A | 120.0° | 120.0° |
| O13 | C14 | C18 | O19 | 120.4° | 65.0° |
| O13 | C14 | H14 | H14A | 120.8° | 120.0° |
| O13 | C14 | C18 | H18 | 119.6° | 175.0° |
| O13 | C14 | C18 | H18A | 0.4° | 55.1° |
| C14 | C18 | O19 | H18 | 120.0° | 119.9° |
| C14 | C18 | O19 | H18A | 120.0° | 120.0° |
| C14 | C18 | O19 | C20 | 143.0° | 180.0° |
| C18 | C14 | H14 | H14A | 120.8° | 120.1° |
| C14 | C18 | H18 | H18A | 120.6° | 119.9° |
| O16 | C15 | N17 | C29 | 2.3° | 3.6° |
| O16 | C15 | N17 | C30 | 178.2° | 176.4° |
| O16 | C15 | C5 | H5 | 171.3° | 119.9° |
| C15 | N17 | C29 | C30 | 176.2° | 180.0° |
| C15 | N17 | C29 | C31 | 85.3° | 70.7° |
| C15 | N17 | C30 | C40 | 80.7° | 112.4° |
| C15 | N17 | C30 | C41 | 143.6° | 179.0° |
| N17 | C15 | C5 | H5 | 11.8° | 60.1° |
| C15 | N17 | C29 | H29 | 154.7° | 49.3° |
| C15 | N17 | C29 | H29A | 34.7° | 169.4° |
| C15 | N17 | C30 | H30 | 68.5° | 33.3° |
| N17 | C29 | C31 | H29 | 120.0° | 120.0° |
| N17 | C29 | C31 | H29A | 120.0° | 120.0° |
| C29 | N17 | C30 | C40 | 102.9° | 67.6° |
| C29 | N17 | C30 | C41 | 40.0° | 1.0° |
| N17 | C29 | C31 | C32 | 5.2° | 102.1° |
| N17 | C29 | C31 | C36 | 175.1° | 78.2° |
| N17 | C29 | H29 | H29A | 115.4° | 120.0° |
| C29 | N17 | C30 | H30 | 107.9° | 146.7° |
| C30 | N17 | C29 | C31 | 98.5° | 109.3° |
| N17 | C30 | C40 | C41 | 106.7° | 107.5° |
| N17 | C30 | C40 | H30 | 130.9° | 145.0° |
| N17 | C30 | C41 | H30 | 134.3° | 145.0° |
| C30 | N17 | C29 | H29 | 21.5° | 130.7° |
| C30 | N17 | C29 | H29A | 141.4° | 10.6° |
| N17 | C30 | C40 | H40 | 13.3° | 0.0° |
| N17 | C30 | C40 | H40A | 133.3° | 145.0° |
| N17 | C30 | C41 | H41 | 143.9° | 145.0° |
| N17 | C30 | C41 | H41A | 23.9° | 0.0° |
| C18 | O19 | C20 | C21 | 86.2° | 89.9° |
| C18 | O19 | C20 | C25 | 94.1° | 90.2° |
| O19 | C18 | C14 | H14 | 0.3° | 54.9° |
| O19 | C18 | C14 | H14A | 119.6° | 175.0° |
| O19 | C18 | H18 | H18A | 120.7° | 120.1° |
| O19 | C20 | C21 | C25 | 179.7° | 179.8° |
| O19 | C20 | C21 | C22 | 179.9° | 180.0° |
| O19 | C20 | C21 | CL26 | 0.1° | 0.1° |
| O19 | C20 | C25 | C24 | 179.8° | 179.7° |
| O19 | C20 | C25 | CL27 | 0.1° | 0.1° |
| C20 | O19 | C18 | H18 | 97.0° | 60.1° |
| C20 | O19 | C18 | H18A | 23.0° | 60.0° |
| C20 | C21 | C22 | CL26 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.5° |
| C21 | C20 | C25 | CL27 | 179.6° | 179.7° |
| C20 | C21 | C22 | H22 | 179.7° | 179.9° |
| C25 | C20 | C21 | C22 | 0.2° | 0.2° |
| C25 | C20 | C21 | CL26 | 179.6° | 179.8° |
| C20 | C25 | C24 | C23 | 0.2° | 0.6° |
| C20 | C25 | C24 | CL27 | 179.7° | 179.8° |
| C20 | C25 | C24 | H24 | 179.8° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.1° |
| C21 | C22 | C23 | C28 | 179.7° | 180.0° |
| CL26 | C21 | C22 | C23 | 179.5° | 180.0° |
| CL26 | C21 | C22 | H22 | 0.5° | 0.0° |
| C22 | C23 | C24 | C28 | 179.3° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.4° |
| C22 | C23 | C24 | H24 | 179.7° | 179.9° |
| C22 | C23 | C28 | H28 | 89.6° | 90.0° |
| C22 | C23 | C28 | H28A | 150.4° | 150.0° |
| C22 | C23 | C28 | H28B | 30.4° | 30.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.7° |
| C23 | C24 | C25 | CL27 | 179.5° | 179.7° |
| C24 | C23 | C22 | H22 | 179.6° | 180.0° |
| C24 | C23 | C28 | H28 | 89.7° | 90.0° |
| C24 | C23 | C28 | H28A | 30.3° | 30.0° |
| C24 | C23 | C28 | H28B | 150.4° | 150.0° |
| C28 | C23 | C24 | C25 | 179.6° | 179.7° |
| C28 | C23 | C22 | H22 | 0.3° | 0.0° |
| C28 | C23 | C24 | H24 | 0.4° | 0.0° |
| C23 | C28 | H28 | H28A | 120.0° | 120.0° |
| C23 | C28 | H28 | H28B | 120.0° | 120.1° |
| C23 | C28 | H28A | H28B | 120.0° | 120.0° |
| CL27 | C25 | C24 | H24 | 0.5° | 0.0° |
| C29 | C31 | C32 | C36 | 179.7° | 179.7° |
| C29 | C31 | C32 | C33 | 179.9° | 180.0° |
| C29 | C31 | C36 | C35 | 179.9° | 179.6° |
| C29 | C31 | C36 | CL37 | 0.6° | 0.0° |
| C31 | C29 | H29 | H29A | 115.4° | 120.0° |
| C29 | C31 | C32 | H32 | 0.1° | 0.0° |
| C40 | C30 | C41 | H30 | 129.6° | 107.5° |
| C30 | C40 | C41 | H40 | 120.0° | 107.4° |
| C30 | C40 | C41 | H40A | 120.0° | 107.5° |
| C30 | C40 | H40 | H40A | 138.5° | 145.7° |
| C40 | C30 | C41 | H41 | 120.0° | 107.5° |
| C40 | C30 | C41 | H41A | 120.0° | 107.5° |
| C30 | C41 | H41 | H41A | 138.5° | 145.7° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.3° | 0.1° |
| C31 | C32 | C33 | C38 | 178.6° | 180.0° |
| C32 | C31 | C36 | C35 | 0.2° | 0.6° |
| C32 | C31 | C36 | CL37 | 179.7° | 179.7° |
| C32 | C31 | C29 | H29 | 125.2° | 17.9° |
| C32 | C31 | C29 | H29A | 114.8° | 137.9° |
| C36 | C31 | C32 | C33 | 0.4° | 0.2° |
| C31 | C36 | C35 | C34 | 0.2° | 0.7° |
| C31 | C36 | C35 | CL37 | 179.5° | 179.6° |
| C36 | C31 | C29 | H29 | 55.1° | 161.8° |
| C36 | C31 | C29 | H29A | 64.9° | 41.8° |
| C36 | C31 | C32 | H32 | 179.6° | 179.7° |
| C31 | C36 | C35 | H35 | 179.9° | 179.7° |
| C32 | C33 | C34 | C38 | 178.8° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C38 | N39 | 55.1° | 90.0° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| C32 | C33 | C38 | H38 | 175.1° | 150.0° |
| C32 | C33 | C38 | H38A | 65.0° | 30.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.3° |
| C34 | C33 | C38 | N39 | 123.8° | 90.1° |
| C34 | C33 | C32 | H32 | 179.7° | 179.9° |
| C33 | C34 | C35 | H35 | 179.7° | 180.0° |
| C34 | C33 | C38 | H38 | 3.8° | 29.9° |
| C34 | C33 | C38 | H38A | 116.2° | 150.0° |
| C38 | C33 | C34 | C35 | 178.9° | 179.9° |
| C33 | C38 | N39 | H38 | 120.0° | 120.0° |
| C33 | C38 | N39 | H38A | 120.0° | 120.1° |
| C33 | C38 | N39 | C42 | 117.8° | 180.0° |
| C38 | C33 | C32 | H32 | 1.4° | 0.0° |
| C38 | C33 | C34 | H34 | 1.1° | 0.1° |
| C33 | C38 | H38 | H38A | 120.6° | 120.1° |
| C33 | C38 | N39 | HN39 | 122.1° | 56.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.7° |
| C34 | C35 | C36 | CL37 | 179.3° | 179.7° |
| C36 | C35 | C34 | H34 | 179.7° | 179.7° |
| CL37 | C36 | C35 | H35 | 0.6° | 0.0° |
| C38 | N39 | C42 | HN39 | 120.0° | 123.9° |
| C38 | N39 | C42 | C43 | 170.6° | 155.0° |
| C38 | N39 | C42 | C44 | 124.3° | 136.4° |
| N39 | C38 | H38 | H38A | 120.6° | 119.9° |
| C38 | N39 | C42 | H42 | 23.4° | 9.3° |
| N39 | C42 | C43 | C44 | 101.9° | 107.5° |
| N39 | C42 | C43 | H42 | 131.1° | 145.1° |
| N39 | C42 | C44 | H42 | 130.0° | 145.0° |
| C42 | N39 | C38 | H38 | 2.1° | 59.9° |
| C42 | N39 | C38 | H38A | 122.1° | 60.0° |
| N39 | C42 | C43 | H43 | 18.1° | 0.1° |
| N39 | C42 | C43 | H43A | 138.1° | 145.0° |
| N39 | C42 | C44 | H44 | 134.3° | 145.0° |
| N39 | C42 | C44 | H44A | 14.3° | 0.0° |
| C41 | C40 | H40 | H40A | 138.5° | 145.8° |
| C40 | C41 | H41 | H41A | 138.5° | 145.6° |
| C43 | C42 | C44 | H42 | 124.3° | 107.6° |
| C42 | C43 | C44 | H43 | 120.0° | 107.5° |
| C42 | C43 | C44 | H43A | 120.0° | 107.5° |
| C43 | C42 | N39 | HN39 | 69.4° | 81.1° |
| C42 | C43 | H43 | H43A | 138.5° | 145.6° |
| C43 | C42 | C44 | H44 | 120.0° | 107.5° |
| C43 | C42 | C44 | H44A | 120.0° | 107.5° |
| C44 | C42 | N39 | HN39 | 4.3° | 12.5° |
| C42 | C44 | H44 | H44A | 138.6° | 145.7° |
| C44 | C43 | H43 | H43A | 138.4° | 145.7° |
| C43 | C44 | H44 | H44A | 138.6° | 145.6° |
| H1 | C1 | C2 | H2 | 169.9° | 179.2° |
| H1 | C1 | C2 | H2A | 49.9° | 59.2° |
| H1 | C1 | C6 | H6 | 175.0° | 177.8° |
| H1A | C1 | C2 | H2 | 49.9° | 59.1° |
| H1A | C1 | C2 | H2A | 70.1° | 60.8° |
| H1A | C1 | C6 | H6 | 55.0° | 57.7° |
| H2 | C2 | N3 | HN3 | 54.2° | 65.8° |
| H2A | C2 | N3 | HN3 | 65.8° | 54.1° |
| HN3 | N3 | C4 | H4 | 51.5° | 65.8° |
| HN3 | N3 | C4 | H4A | 68.5° | 54.1° |
| H4 | C4 | C5 | H5 | 164.6° | 179.3° |
| H4A | C4 | C5 | H5 | 44.6° | 59.3° |
| H5 | C5 | C6 | H6 | 180.0° | 177.8° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H14 | C14 | C18 | H18 | 120.4° | 65.1° |
| H14 | C14 | C18 | H18A | 119.6° | 175.0° |
| H14A | C14 | C18 | H18 | 0.4° | 55.0° |
| H14A | C14 | C18 | H18A | 120.4° | 64.9° |
| H28 | C28 | H28A | H28B | 120.0° | 119.9° |
| H30 | C30 | C40 | H40 | 117.6° | 145.0° |
| H30 | C30 | C40 | H40A | 2.4° | 0.0° |
| H30 | C30 | C41 | H41 | 9.6° | 0.0° |
| H30 | C30 | C41 | H41A | 110.4° | 145.0° |
| H34 | C34 | C35 | H35 | 0.3° | 0.0° |
| H38 | C38 | N39 | HN39 | 117.9° | 176.1° |
| H38A | C38 | N39 | HN39 | 2.1° | 64.0° |
| HN39 | N39 | C42 | H42 | 143.5° | 133.2° |
| H40 | C40 | C41 | H41 | 120.1° | 145.0° |
| H40 | C40 | C41 | H41A | 0.0° | 0.1° |
| H40A | C40 | C41 | H41 | 0.0° | 0.1° |
| H40A | C40 | C41 | H41A | 120.1° | 145.0° |
| H42 | C42 | C43 | H43 | 113.1° | 145.0° |
| H42 | C42 | C43 | H43A | 7.0° | 0.0° |
| H42 | C42 | C44 | H44 | 4.3° | 0.0° |
| H42 | C42 | C44 | H44A | 115.7° | 145.0° |
| H43 | C43 | C44 | H44 | 120.0° | 145.0° |
| H43 | C43 | C44 | H44A | 0.0° | 0.0° |
| H43A | C43 | C44 | H44 | 0.0° | 0.0° |
| H43A | C43 | C44 | H44A | 120.0° | 145.0° |
