1NK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O19 | C17 | doub | 1.21Å | 1.32Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C5 | C2 | sing | 1.53Å | 1.55Å | |
| C5 | N8 | sing | 1.47Å | 1.48Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| N8 | C9 | sing | 1.35Å | 1.36Å | |
| C21 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C15 | sing | 1.48Å | 1.50Å | |
| C17 | O18 | sing | 1.35Å | 1.23Å | |
| O40 | C23 | sing | 1.36Å | 1.34Å | |
| O40 | C41 | sing | 1.43Å | 1.47Å | |
| C23 | N24 | doub | 1.32Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.48Å | 1.50Å | |
| C9 | O10 | doub | 1.22Å | 1.22Å | |
| C14 | C20 | sing | 1.48Å | 1.51Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| N24 | C25 | sing | 1.33Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.50Å | |
| C26 | N28 | sing | 1.35Å | 1.36Å | |
| C26 | O27 | doub | 1.21Å | 1.22Å | |
| N28 | C29 | sing | 1.40Å | 1.36Å | |
| C30 | C29 | doub | 1.40Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.36Å | 1.40Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.42Å | 1.42Å | Aromatic |
| C32 | C38 | sing | 1.41Å | 1.41Å | Aromatic |
| C33 | C35 | sing | 1.41Å | 1.40Å | Aromatic |
| N39 | C38 | sing | 1.38Å | 1.34Å | |
| C38 | N37 | doub | 1.32Å | 1.36Å | Aromatic |
| C35 | C36 | doub | 1.36Å | 1.40Å | Aromatic |
| N37 | C36 | sing | 1.33Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| O7 | H13 | sing | 0.97Å | 0.95Å | |
| N8 | H14 | sing | 0.97Å | 1.00Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| C31 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| N39 | H27 | sing | 0.97Å | 1.00Å | |
| N39 | H28 | sing | 0.97Å | 1.00Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C5 | 113.6° | 109.4° |
| O7 | C6 | H11 | 108.4° | 109.4° |
| O7 | C6 | H12 | 108.4° | 109.5° |
| C6 | O7 | H13 | 109.5° | 114.0° |
| C6 | C5 | C2 | 111.7° | 109.5° |
| C6 | C5 | N8 | 108.1° | 109.5° |
| C6 | C5 | H10 | 107.3° | 109.5° |
| C5 | C6 | H11 | 108.4° | 109.5° |
| C5 | C6 | H12 | 108.4° | 109.5° |
| C3 | C2 | C1 | 105.8° | 109.5° |
| C3 | C2 | C5 | 116.5° | 109.5° |
| C3 | C2 | C4 | 107.1° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.4° |
| C2 | C3 | H5 | 109.4° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| O19 | C17 | C15 | 118.1° | 120.0° |
| O19 | C17 | O18 | 121.0° | 120.0° |
| C1 | C2 | C5 | 113.1° | 109.4° |
| C1 | C2 | C4 | 109.8° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C5 | N8 | 114.1° | 109.5° |
| C5 | C2 | C4 | 104.3° | 109.5° |
| C2 | C5 | H10 | 107.2° | 109.5° |
| C5 | N8 | C9 | 122.1° | 120.0° |
| N8 | C5 | H10 | 108.1° | 109.4° |
| C5 | N8 | H14 | 118.9° | 120.0° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.4° |
| C21 | C22 | C23 | 117.2° | 119.4° |
| C22 | C21 | C20 | 122.8° | 118.4° |
| C22 | C21 | H19 | 118.6° | 120.8° |
| C21 | C22 | H20 | 121.4° | 120.3° |
| C22 | C23 | O40 | 113.4° | 119.5° |
| C22 | C23 | N24 | 120.9° | 121.1° |
| C23 | C22 | H20 | 121.4° | 120.3° |
| N8 | C9 | C11 | 116.2° | 120.0° |
| N8 | C9 | O10 | 124.5° | 120.0° |
| C9 | N8 | H14 | 119.0° | 120.0° |
| C21 | C20 | C14 | 115.4° | 120.5° |
| C21 | C20 | C25 | 116.7° | 118.9° |
| C20 | C21 | H19 | 118.6° | 120.8° |
| C15 | C17 | O18 | 120.9° | 120.0° |
| C17 | C15 | C16 | 114.4° | 120.1° |
| C17 | C15 | C14 | 123.3° | 120.2° |
| C17 | O18 | H18 | 109.5° | 117.0° |
| C23 | O40 | C41 | 117.9° | 117.0° |
| O40 | C23 | N24 | 125.7° | 119.5° |
| O40 | C41 | H29 | 109.5° | 109.5° |
| O40 | C41 | H30 | 109.5° | 109.5° |
| O40 | C41 | H31 | 109.5° | 109.5° |
| C23 | N24 | C25 | 121.0° | 121.7° |
| C15 | C16 | C11 | 119.7° | 119.8° |
| C16 | C15 | C14 | 122.1° | 119.7° |
| C15 | C16 | H17 | 120.2° | 120.1° |
| C16 | C11 | C9 | 116.4° | 120.0° |
| C16 | C11 | C12 | 118.9° | 120.1° |
| C11 | C16 | H17 | 120.2° | 120.1° |
| C15 | C14 | C20 | 121.8° | 120.1° |
| C15 | C14 | C13 | 117.9° | 119.9° |
| C11 | C9 | O10 | 119.3° | 120.0° |
| C9 | C11 | C12 | 124.7° | 119.9° |
| C20 | C14 | C13 | 120.2° | 120.1° |
| C14 | C20 | C25 | 127.7° | 120.5° |
| C14 | C13 | C12 | 120.4° | 120.2° |
| C14 | C13 | H16 | 119.8° | 119.9° |
| C20 | C25 | N24 | 121.3° | 120.4° |
| C20 | C25 | C26 | 122.3° | 119.8° |
| C11 | C12 | C13 | 121.0° | 120.3° |
| C11 | C12 | H15 | 119.5° | 119.8° |
| C13 | C12 | H15 | 119.5° | 119.9° |
| C12 | C13 | H16 | 119.8° | 119.9° |
| N24 | C25 | C26 | 116.4° | 119.8° |
| C25 | C26 | N28 | 115.6° | 120.0° |
| C25 | C26 | O27 | 122.0° | 120.0° |
| N28 | C26 | O27 | 122.3° | 119.9° |
| C26 | N28 | C29 | 128.0° | 120.0° |
| C26 | N28 | H21 | 116.0° | 120.0° |
| N28 | C29 | C30 | 120.0° | 119.7° |
| N28 | C29 | C34 | 123.6° | 119.6° |
| C29 | N28 | H21 | 116.0° | 120.0° |
| C29 | C30 | C31 | 122.6° | 121.0° |
| C30 | C29 | C34 | 116.2° | 120.7° |
| C29 | C30 | H22 | 118.7° | 119.5° |
| C30 | C31 | C32 | 119.8° | 119.8° |
| C31 | C30 | H22 | 118.7° | 119.5° |
| C30 | C31 | H23 | 120.1° | 120.2° |
| C29 | C34 | C33 | 122.8° | 119.3° |
| C29 | C34 | H24 | 118.6° | 120.3° |
| C31 | C32 | C33 | 119.7° | 119.6° |
| C31 | C32 | C38 | 123.7° | 121.9° |
| C32 | C31 | H23 | 120.1° | 120.1° |
| C34 | C33 | C32 | 118.8° | 119.7° |
| C34 | C33 | C35 | 119.5° | 122.1° |
| C33 | C34 | H24 | 118.6° | 120.4° |
| C33 | C32 | C38 | 116.5° | 118.5° |
| C32 | C33 | C35 | 121.7° | 118.2° |
| C32 | C38 | N39 | 122.3° | 120.2° |
| C32 | C38 | N37 | 122.0° | 119.8° |
| C33 | C35 | C36 | 118.0° | 118.9° |
| C33 | C35 | H25 | 121.0° | 120.5° |
| N39 | C38 | N37 | 115.7° | 120.1° |
| C38 | N39 | H27 | 109.5° | 120.0° |
| C38 | N39 | H28 | 109.5° | 120.1° |
| C38 | N37 | C36 | 120.6° | 122.6° |
| C35 | C36 | N37 | 121.2° | 122.0° |
| C36 | C35 | H25 | 121.0° | 120.6° |
| C35 | C36 | H26 | 119.4° | 119.0° |
| N37 | C36 | H26 | 119.4° | 119.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H9 | 109.4° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.4° | 109.5° |
| H27 | N39 | H28 | 109.5° | 119.9° |
| H29 | C41 | H30 | 109.5° | 109.5° |
| H29 | C41 | H31 | 109.4° | 109.5° |
| H30 | C41 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C5 | H11 | 120.6° | 120.0° |
| O7 | C6 | C5 | H12 | 120.6° | 120.0° |
| O7 | C6 | C5 | C2 | 173.1° | 56.8° |
| O7 | C6 | C5 | N8 | 46.8° | 63.3° |
| O7 | C6 | C5 | H10 | 69.6° | 176.8° |
| O7 | C6 | H11 | H12 | 118.1° | 120.0° |
| C6 | C5 | C2 | C3 | 70.7° | 173.7° |
| C6 | C5 | C2 | C1 | 52.2° | 66.4° |
| C6 | C5 | C2 | N8 | 123.0° | 120.0° |
| C6 | C5 | C2 | H10 | 117.3° | 120.0° |
| C6 | C5 | N8 | H10 | 115.9° | 120.0° |
| C6 | C5 | C2 | C4 | 171.5° | 53.6° |
| C6 | C5 | N8 | C9 | 117.2° | 155.0° |
| C5 | C6 | H11 | H12 | 118.1° | 120.0° |
| C5 | C6 | O7 | H13 | 180.0° | 180.0° |
| C6 | C5 | N8 | H14 | 62.8° | 25.0° |
| C3 | C2 | C1 | C5 | 128.7° | 120.0° |
| C3 | C2 | C1 | C4 | 115.3° | 120.1° |
| C3 | C2 | C5 | C4 | 117.8° | 120.1° |
| C3 | C2 | C5 | N8 | 52.3° | 66.3° |
| C3 | C2 | C1 | H1 | 180.0° | 45.7° |
| C3 | C2 | C1 | H2 | 60.0° | 74.2° |
| C3 | C2 | C1 | H3 | 60.0° | 165.8° |
| C2 | C3 | H4 | H5 | 120.0° | 119.9° |
| C2 | C3 | H4 | H6 | 120.0° | 120.1° |
| C2 | C3 | H5 | H6 | 120.0° | 120.1° |
| C3 | C2 | C4 | H7 | 180.0° | 180.0° |
| C3 | C2 | C4 | H8 | 60.0° | 60.0° |
| C3 | C2 | C4 | H9 | 60.0° | 60.0° |
| C3 | C2 | C5 | H10 | 172.0° | 53.6° |
| O19 | C17 | C15 | O18 | 178.8° | 179.9° |
| O19 | C17 | C15 | C16 | 122.0° | 179.8° |
| O19 | C17 | C15 | C14 | 52.9° | 0.0° |
| O19 | C17 | O18 | H18 | 0.0° | 0.1° |
| C1 | C2 | C5 | C4 | 119.3° | 120.0° |
| C1 | C2 | C5 | N8 | 175.2° | 53.6° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 60.1° |
| C1 | C2 | C3 | H5 | 60.0° | 180.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C4 | H7 | 65.6° | 60.0° |
| C1 | C2 | C4 | H8 | 174.4° | 180.0° |
| C1 | C2 | C4 | H9 | 54.4° | 60.0° |
| C1 | C2 | C5 | H10 | 65.1° | 173.6° |
| C2 | C5 | N8 | H10 | 119.2° | 120.0° |
| C2 | C5 | N8 | C9 | 117.9° | 84.9° |
| C5 | C2 | C1 | H1 | 51.3° | 165.7° |
| C5 | C2 | C1 | H2 | 171.3° | 45.8° |
| C5 | C2 | C1 | H3 | 68.7° | 74.2° |
| C5 | C2 | C3 | H4 | 53.4° | 180.0° |
| C5 | C2 | C3 | H5 | 66.6° | 60.1° |
| C5 | C2 | C3 | H6 | 173.4° | 60.0° |
| C5 | C2 | C4 | H7 | 55.9° | 60.0° |
| C5 | C2 | C4 | H8 | 64.1° | 60.0° |
| C5 | C2 | C4 | H9 | 175.9° | 180.0° |
| C2 | C5 | C6 | H11 | 52.5° | 176.7° |
| C2 | C5 | C6 | H12 | 66.2° | 63.2° |
| C2 | C5 | N8 | H14 | 62.2° | 95.0° |
| N8 | C5 | C2 | C4 | 65.5° | 173.6° |
| C5 | N8 | C9 | H14 | 180.0° | 180.0° |
| C5 | N8 | C9 | C11 | 172.5° | 180.0° |
| C5 | N8 | C9 | O10 | 9.8° | 0.0° |
| N8 | C5 | C6 | H11 | 73.9° | 56.7° |
| N8 | C5 | C6 | H12 | 167.4° | 176.7° |
| C4 | C2 | C1 | H1 | 64.7° | 74.3° |
| C4 | C2 | C1 | H2 | 55.3° | 165.7° |
| C4 | C2 | C1 | H3 | 175.3° | 45.7° |
| C4 | C2 | C3 | H4 | 62.9° | 59.9° |
| C4 | C2 | C3 | H5 | 177.1° | 59.9° |
| C4 | C2 | C3 | H6 | 57.1° | 180.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C2 | C4 | H7 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H9 | 120.0° | 119.9° |
| C4 | C2 | C5 | H10 | 54.2° | 66.4° |
| C21 | C22 | C23 | H20 | 180.0° | 180.0° |
| C22 | C21 | C20 | H19 | 180.0° | 180.0° |
| C21 | C22 | C23 | O40 | 177.9° | 180.0° |
| C21 | C22 | C23 | N24 | 2.8° | 0.0° |
| C22 | C21 | C20 | C14 | 177.7° | 180.0° |
| C22 | C21 | C20 | C25 | 2.9° | 0.3° |
| C23 | C22 | C21 | C20 | 3.7° | 0.0° |
| C22 | C23 | O40 | N24 | 179.3° | 179.9° |
| C22 | C23 | O40 | C41 | 173.5° | 180.0° |
| C22 | C23 | N24 | C25 | 1.2° | 0.3° |
| C23 | C22 | C21 | H19 | 176.3° | 180.0° |
| N8 | C9 | C11 | C16 | 42.1° | 179.8° |
| N8 | C9 | C11 | O10 | 177.8° | 180.0° |
| N8 | C9 | C11 | C12 | 137.0° | 0.0° |
| C9 | N8 | C5 | H10 | 1.3° | 35.0° |
| C21 | C20 | C14 | C15 | 118.9° | 114.7° |
| C21 | C20 | C14 | C25 | 174.0° | 179.7° |
| C21 | C20 | C14 | C13 | 63.0° | 65.3° |
| C21 | C20 | C25 | N24 | 1.2° | 0.6° |
| C21 | C20 | C25 | C26 | 178.4° | 179.7° |
| C20 | C21 | C22 | H20 | 176.3° | 180.0° |
| C17 | C15 | C16 | C14 | 175.0° | 179.8° |
| C17 | C15 | C16 | C11 | 178.0° | 179.8° |
| C17 | C15 | C14 | C20 | 4.5° | 0.0° |
| C17 | C15 | C14 | C13 | 177.4° | 180.0° |
| C17 | C15 | C16 | H17 | 2.0° | 0.2° |
| C15 | C17 | O18 | H18 | 178.7° | 180.0° |
| O18 | C17 | C15 | C16 | 59.2° | 0.3° |
| O18 | C17 | C15 | C14 | 125.9° | 179.9° |
| O40 | C23 | N24 | C25 | 179.6° | 179.8° |
| O40 | C23 | C22 | H20 | 2.1° | 0.0° |
| C23 | O40 | C41 | H29 | 180.0° | 60.1° |
| C23 | O40 | C41 | H30 | 60.0° | 180.0° |
| C23 | O40 | C41 | H31 | 60.0° | 59.9° |
| C41 | O40 | C23 | N24 | 7.2° | 0.1° |
| O40 | C41 | H29 | H30 | 120.0° | 120.0° |
| O40 | C41 | H29 | H31 | 120.0° | 120.0° |
| O40 | C41 | H30 | H31 | 120.0° | 120.0° |
| C23 | N24 | C25 | C20 | 0.3° | 0.6° |
| C23 | N24 | C25 | C26 | 177.7° | 179.7° |
| N24 | C23 | C22 | H20 | 177.3° | 180.0° |
| C15 | C16 | C11 | H17 | 180.0° | 179.6° |
| C15 | C16 | C11 | C9 | 179.6° | 179.8° |
| C16 | C15 | C14 | C20 | 179.0° | 179.8° |
| C16 | C15 | C14 | C13 | 2.9° | 0.2° |
| C15 | C16 | C11 | C12 | 1.1° | 0.5° |
| C11 | C16 | C15 | C14 | 3.0° | 0.5° |
| C16 | C11 | C9 | C12 | 179.2° | 179.7° |
| C16 | C11 | C9 | O10 | 140.0° | 0.3° |
| C16 | C11 | C12 | C13 | 0.8° | 0.2° |
| C16 | C11 | C12 | H15 | 179.2° | 179.8° |
| C15 | C14 | C20 | C13 | 178.0° | 180.0° |
| C15 | C14 | C20 | C25 | 55.1° | 65.0° |
| C15 | C14 | C13 | C12 | 0.9° | 0.0° |
| C15 | C14 | C13 | H16 | 179.1° | 180.0° |
| C14 | C15 | C16 | H17 | 176.9° | 180.0° |
| C9 | C11 | C12 | C13 | 178.4° | 180.0° |
| C11 | C9 | N8 | H14 | 7.5° | 0.0° |
| C9 | C11 | C12 | H15 | 1.6° | 0.0° |
| C9 | C11 | C16 | H17 | 0.4° | 0.2° |
| O10 | C9 | C11 | C12 | 40.8° | 180.0° |
| O10 | C9 | N8 | H14 | 170.2° | 180.0° |
| C20 | C14 | C13 | C12 | 179.0° | 180.0° |
| C14 | C20 | C25 | N24 | 175.1° | 179.7° |
| C14 | C20 | C25 | C26 | 7.6° | 0.1° |
| C20 | C14 | C13 | H16 | 0.9° | 0.0° |
| C14 | C20 | C21 | H19 | 2.4° | 0.0° |
| C13 | C14 | C20 | C25 | 122.9° | 115.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.0° |
| C14 | C13 | C12 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | H15 | 179.1° | 180.0° |
| C20 | C25 | N24 | C26 | 177.4° | 179.7° |
| C20 | C25 | C26 | N28 | 142.6° | 180.0° |
| C20 | C25 | C26 | O27 | 34.1° | 0.1° |
| C25 | C20 | C21 | H19 | 177.1° | 179.7° |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | H16 | 179.1° | 180.0° |
| C12 | C11 | C16 | H17 | 178.8° | 180.0° |
| N24 | C25 | C26 | N28 | 40.0° | 0.3° |
| N24 | C25 | C26 | O27 | 143.3° | 179.8° |
| C25 | C26 | N28 | O27 | 176.7° | 179.9° |
| C25 | C26 | N28 | C29 | 158.7° | 175.3° |
| C25 | C26 | N28 | H21 | 21.3° | 4.6° |
| C26 | N28 | C29 | H21 | 180.0° | 179.9° |
| C26 | N28 | C29 | C30 | 164.5° | 143.4° |
| C26 | N28 | C29 | C34 | 19.8° | 36.4° |
| O27 | C26 | N28 | C29 | 24.6° | 4.6° |
| O27 | C26 | N28 | H21 | 155.4° | 175.4° |
| N28 | C29 | C30 | C34 | 176.0° | 179.7° |
| N28 | C29 | C30 | C31 | 173.0° | 180.0° |
| N28 | C29 | C34 | C33 | 175.2° | 179.7° |
| N28 | C29 | C30 | H22 | 7.0° | 0.0° |
| N28 | C29 | C34 | H24 | 4.8° | 0.0° |
| C29 | C30 | C31 | H22 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 2.0° | 0.0° |
| C30 | C29 | C34 | C33 | 0.7° | 0.5° |
| C30 | C29 | N28 | H21 | 15.5° | 36.5° |
| C29 | C30 | C31 | H23 | 177.9° | 180.0° |
| C30 | C29 | C34 | H24 | 179.3° | 179.8° |
| C31 | C30 | C29 | C34 | 3.1° | 0.3° |
| C30 | C31 | C32 | H23 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 1.5° | 0.0° |
| C30 | C31 | C32 | C38 | 177.9° | 180.0° |
| C29 | C34 | C33 | H24 | 180.0° | 179.7° |
| C29 | C34 | C33 | C32 | 2.7° | 0.5° |
| C29 | C34 | C33 | C35 | 179.1° | 179.7° |
| C34 | C29 | N28 | H21 | 160.2° | 143.7° |
| C34 | C29 | C30 | H22 | 177.0° | 179.8° |
| C31 | C32 | C33 | C34 | 3.7° | 0.3° |
| C31 | C32 | C33 | C38 | 176.6° | 180.0° |
| C31 | C32 | C33 | C35 | 178.0° | 180.0° |
| C31 | C32 | C38 | N39 | 3.7° | 0.0° |
| C31 | C32 | C38 | N37 | 176.7° | 180.0° |
| C32 | C31 | C30 | H22 | 178.0° | 180.0° |
| C34 | C33 | C32 | C35 | 178.2° | 179.8° |
| C34 | C33 | C32 | C38 | 179.6° | 179.7° |
| C34 | C33 | C35 | C36 | 179.1° | 179.8° |
| C34 | C33 | C35 | H25 | 0.9° | 0.2° |
| C33 | C32 | C38 | N39 | 179.8° | 180.0° |
| C33 | C32 | C38 | N37 | 0.2° | 0.0° |
| C32 | C33 | C35 | C36 | 0.8° | 0.0° |
| C33 | C32 | C31 | H23 | 178.5° | 180.0° |
| C32 | C33 | C34 | H24 | 177.4° | 179.8° |
| C32 | C33 | C35 | H25 | 179.1° | 180.0° |
| C38 | C32 | C33 | C35 | 1.4° | 0.0° |
| C32 | C38 | N39 | N37 | 179.6° | 179.9° |
| C32 | C38 | N37 | C36 | 1.6° | 0.0° |
| C38 | C32 | C31 | H23 | 2.1° | 0.0° |
| C32 | C38 | N39 | H27 | 179.6° | 0.0° |
| C32 | C38 | N39 | H28 | 59.6° | 180.0° |
| C33 | C35 | C36 | H25 | 180.0° | 180.0° |
| C33 | C35 | C36 | N37 | 1.0° | 0.0° |
| C35 | C33 | C34 | H24 | 0.9° | 0.0° |
| C33 | C35 | C36 | H26 | 179.1° | 180.0° |
| N39 | C38 | N37 | C36 | 178.0° | 180.0° |
| C38 | N39 | H27 | H28 | 120.0° | 180.0° |
| C38 | N37 | C36 | C35 | 2.2° | 0.0° |
| C38 | N37 | C36 | H26 | 177.9° | 180.0° |
| N37 | C38 | N39 | H27 | 0.0° | 179.9° |
| N37 | C38 | N39 | H28 | 120.0° | 0.0° |
| C35 | C36 | N37 | H26 | 180.0° | 180.0° |
| N37 | C36 | C35 | H25 | 179.1° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C3 | H5 | H6 | 120.0° | 120.1° |
| H7 | C4 | H8 | H9 | 119.9° | 120.0° |
| H10 | C5 | C6 | H11 | 169.7° | 63.3° |
| H10 | C5 | C6 | H12 | 51.0° | 56.8° |
| H10 | C5 | N8 | H14 | 178.7° | 145.0° |
| H11 | C6 | O7 | H13 | 59.4° | 60.0° |
| H12 | C6 | O7 | H13 | 59.4° | 60.0° |
| H15 | C12 | C13 | H16 | 0.9° | 0.0° |
| H19 | C21 | C22 | H20 | 3.7° | 0.0° |
| H22 | C30 | C31 | H23 | 2.0° | 0.1° |
| H25 | C35 | C36 | H26 | 0.9° | 0.1° |
| H29 | C41 | H30 | H31 | 120.0° | 120.0° |
