9NJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C12 | doub | 1.21Å | 1.31Å | |
| C35 | O25 | sing | 1.43Å | 1.43Å | |
| C22 | C31 | sing | 1.53Å | 1.55Å | |
| C22 | C18 | sing | 1.53Å | 1.57Å | |
| C12 | O28 | sing | 1.34Å | 1.21Å | |
| C12 | C18 | sing | 1.51Å | 1.52Å | |
| C31 | C26 | sing | 1.53Å | 1.52Å | |
| C18 | C23 | sing | 1.53Å | 1.56Å | |
| O25 | C8 | sing | 1.36Å | 1.35Å | |
| N9 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| N9 | C15 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C36 | O32 | sing | 1.43Å | 1.42Å | |
| C14 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C1 | doub | 1.31Å | 1.32Å | Aromatic |
| F29 | C21 | sing | 1.35Å | 1.36Å | |
| C26 | N11 | sing | 1.46Å | 1.48Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| O32 | C15 | sing | 1.36Å | 1.38Å | |
| C23 | C30 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C1 | sing | 1.48Å | 1.48Å | |
| C4 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| N11 | C6 | sing | 1.35Å | 1.35Å | |
| C24 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.51Å | |
| C6 | C10 | sing | 1.51Å | 1.60Å | |
| C6 | O17 | doub | 1.21Å | 1.23Å | |
| C10 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C34 | sing | 1.53Å | 1.54Å | |
| C20 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C37 | sing | 1.53Å | 1.54Å | |
| C33 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C36 | H8 | sing | 1.09Å | 1.10Å | |
| C36 | H9 | sing | 1.09Å | 1.10Å | |
| C36 | H10 | sing | 1.09Å | 1.10Å | |
| C35 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| N11 | H27 | sing | 0.97Å | 1.00Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| O28 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C12 | O28 | 123.6° | 120.0° |
| O19 | C12 | C18 | 113.9° | 120.0° |
| C35 | O25 | C8 | 117.6° | 117.0° |
| O25 | C35 | H11 | 109.5° | 109.5° |
| O25 | C35 | H12 | 109.5° | 109.5° |
| O25 | C35 | H13 | 109.4° | 109.5° |
| C31 | C22 | C18 | 111.2° | 109.5° |
| C22 | C31 | C26 | 111.5° | 109.5° |
| C31 | C22 | H4 | 109.0° | 109.4° |
| C31 | C22 | H5 | 109.0° | 109.5° |
| C22 | C31 | H33 | 109.0° | 109.5° |
| C22 | C31 | H34 | 109.0° | 109.5° |
| C22 | C18 | C12 | 112.2° | 109.5° |
| C22 | C18 | C23 | 110.1° | 109.5° |
| C18 | C22 | H4 | 109.0° | 109.4° |
| C18 | C22 | H5 | 109.0° | 109.5° |
| C22 | C18 | H32 | 107.4° | 109.4° |
| O28 | C12 | C18 | 122.5° | 120.0° |
| C12 | O28 | H35 | 109.5° | 116.9° |
| C12 | C18 | C23 | 111.5° | 109.5° |
| C12 | C18 | H32 | 107.9° | 109.5° |
| C31 | C26 | N11 | 112.0° | 109.5° |
| C31 | C26 | C30 | 110.2° | 109.5° |
| C31 | C26 | H7 | 107.4° | 109.4° |
| C26 | C31 | H33 | 109.0° | 109.5° |
| C26 | C31 | H34 | 109.0° | 109.4° |
| C18 | C23 | C30 | 111.6° | 109.5° |
| C18 | C23 | H30 | 109.0° | 109.4° |
| C18 | C23 | H31 | 108.9° | 109.5° |
| C23 | C18 | H32 | 107.5° | 109.4° |
| O25 | C8 | N9 | 119.6° | 119.7° |
| O25 | C8 | C4 | 116.4° | 119.8° |
| C8 | N9 | C15 | 117.5° | 121.7° |
| N9 | C8 | C4 | 124.0° | 120.5° |
| N9 | C15 | O32 | 120.0° | 119.5° |
| N9 | C15 | C24 | 123.5° | 121.1° |
| C8 | C4 | C1 | 121.9° | 120.5° |
| C8 | C4 | C13 | 116.9° | 119.0° |
| C36 | O32 | C15 | 118.3° | 117.0° |
| O32 | C36 | H8 | 109.5° | 109.4° |
| O32 | C36 | H9 | 109.5° | 109.5° |
| O32 | C36 | H10 | 109.5° | 109.5° |
| C5 | C14 | C21 | 117.9° | 119.8° |
| C14 | C5 | N3 | 130.2° | 133.4° |
| C14 | C5 | C7 | 119.1° | 119.4° |
| C5 | C14 | H14 | 121.1° | 120.1° |
| C14 | C21 | F29 | 118.1° | 119.7° |
| C14 | C21 | C27 | 123.7° | 120.5° |
| C21 | C14 | H14 | 121.0° | 120.2° |
| C5 | N3 | C1 | 105.2° | 109.7° |
| N3 | C5 | C7 | 110.7° | 107.2° |
| N3 | C1 | C4 | 123.3° | 125.1° |
| N3 | C1 | N2 | 112.4° | 109.8° |
| F29 | C21 | C27 | 118.2° | 119.8° |
| N11 | C26 | C30 | 111.7° | 109.5° |
| C26 | N11 | C6 | 123.2° | 120.0° |
| N11 | C26 | H7 | 107.9° | 109.5° |
| C26 | N11 | H27 | 118.4° | 120.0° |
| C26 | C30 | C23 | 111.4° | 109.5° |
| C30 | C26 | H7 | 107.3° | 109.5° |
| C26 | C30 | H28 | 109.0° | 109.5° |
| C26 | C30 | H29 | 109.0° | 109.5° |
| O32 | C15 | C24 | 116.4° | 119.5° |
| C23 | C30 | H28 | 109.0° | 109.4° |
| C23 | C30 | H29 | 108.9° | 109.5° |
| C30 | C23 | H30 | 108.9° | 109.5° |
| C30 | C23 | H31 | 108.9° | 109.5° |
| C5 | C7 | N2 | 105.1° | 106.2° |
| C5 | C7 | C16 | 122.4° | 120.0° |
| C15 | C24 | C13 | 117.9° | 119.3° |
| C15 | C24 | H6 | 121.1° | 120.3° |
| C21 | C27 | C16 | 118.7° | 120.5° |
| C21 | C27 | H15 | 120.6° | 119.8° |
| C1 | C4 | C13 | 121.1° | 120.5° |
| C4 | C1 | N2 | 124.3° | 125.1° |
| C4 | C13 | C24 | 120.1° | 118.5° |
| C4 | C13 | H2 | 119.9° | 120.8° |
| C1 | N2 | C7 | 106.6° | 107.2° |
| C1 | N2 | C10 | 124.9° | 126.4° |
| N11 | C6 | C10 | 116.7° | 120.0° |
| N11 | C6 | O17 | 122.8° | 120.0° |
| C6 | N11 | H27 | 118.4° | 120.0° |
| C24 | C13 | H2 | 120.0° | 120.7° |
| C13 | C24 | H6 | 121.1° | 120.4° |
| N2 | C7 | C16 | 132.6° | 133.9° |
| C7 | N2 | C10 | 128.5° | 126.4° |
| C7 | C16 | C27 | 118.2° | 119.9° |
| C7 | C16 | H16 | 120.9° | 120.0° |
| C16 | C27 | H15 | 120.6° | 119.7° |
| C27 | C16 | H16 | 120.9° | 120.1° |
| N2 | C10 | C6 | 111.6° | 109.5° |
| N2 | C10 | C20 | 111.9° | 109.4° |
| N2 | C10 | H1 | 107.1° | 109.4° |
| C10 | C6 | O17 | 120.5° | 120.0° |
| C6 | C10 | C20 | 113.1° | 109.5° |
| C6 | C10 | H1 | 106.0° | 109.5° |
| C10 | C20 | C34 | 111.8° | 109.5° |
| C10 | C20 | C33 | 111.7° | 109.4° |
| C20 | C10 | H1 | 106.6° | 109.5° |
| C10 | C20 | H3 | 107.9° | 109.5° |
| C34 | C20 | C33 | 109.1° | 109.5° |
| C20 | C34 | C37 | 112.1° | 109.5° |
| C34 | C20 | H3 | 108.0° | 109.5° |
| C20 | C34 | H25 | 108.8° | 109.5° |
| C20 | C34 | H26 | 108.8° | 109.4° |
| C20 | C33 | C38 | 111.7° | 109.4° |
| C33 | C20 | H3 | 108.1° | 109.4° |
| C20 | C33 | H17 | 108.9° | 109.5° |
| C20 | C33 | H18 | 108.9° | 109.5° |
| C34 | C37 | C39 | 111.3° | 109.4° |
| C34 | C37 | H23 | 109.0° | 109.5° |
| C34 | C37 | H24 | 109.0° | 109.5° |
| C37 | C34 | H25 | 108.8° | 109.5° |
| C37 | C34 | H26 | 108.8° | 109.4° |
| C33 | C38 | C39 | 111.5° | 109.5° |
| C38 | C33 | H17 | 108.9° | 109.5° |
| C38 | C33 | H18 | 108.9° | 109.5° |
| C33 | C38 | H19 | 108.9° | 109.5° |
| C33 | C38 | H20 | 109.0° | 109.4° |
| C37 | C39 | C38 | 111.5° | 109.5° |
| C37 | C39 | H21 | 108.9° | 109.5° |
| C37 | C39 | H22 | 108.9° | 109.5° |
| C39 | C37 | H23 | 109.0° | 109.5° |
| C39 | C37 | H24 | 109.0° | 109.5° |
| C39 | C38 | H19 | 109.0° | 109.5° |
| C39 | C38 | H20 | 108.9° | 109.4° |
| C38 | C39 | H21 | 109.0° | 109.5° |
| C38 | C39 | H22 | 109.0° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.4° |
| H8 | C36 | H9 | 109.5° | 109.4° |
| H8 | C36 | H10 | 109.5° | 109.5° |
| H9 | C36 | H10 | 109.5° | 109.5° |
| H11 | C35 | H12 | 109.4° | 109.5° |
| H11 | C35 | H13 | 109.5° | 109.4° |
| H12 | C35 | H13 | 109.4° | 109.4° |
| H17 | C33 | H18 | 109.5° | 109.5° |
| H19 | C38 | H20 | 109.5° | 109.4° |
| H21 | C39 | H22 | 109.5° | 109.5° |
| H23 | C37 | H24 | 109.4° | 109.5° |
| H25 | C34 | H26 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C12 | C18 | C22 | 137.2° | 0.1° |
| O19 | C12 | O28 | C18 | 180.0° | 179.9° |
| O19 | C12 | C18 | C23 | 98.7° | 120.0° |
| O19 | C12 | C18 | H32 | 19.1° | 120.1° |
| O19 | C12 | O28 | H35 | 0.0° | 0.0° |
| C35 | O25 | C8 | N9 | 2.1° | 0.0° |
| C35 | O25 | C8 | C4 | 177.8° | 180.0° |
| O25 | C35 | H11 | H12 | 120.0° | 120.0° |
| O25 | C35 | H11 | H13 | 120.0° | 120.0° |
| O25 | C35 | H12 | H13 | 120.0° | 120.0° |
| C31 | C22 | C18 | H4 | 120.3° | 120.0° |
| C31 | C22 | C18 | H5 | 120.3° | 120.1° |
| C31 | C22 | C18 | C12 | 177.7° | 180.0° |
| C22 | C31 | C26 | H33 | 120.3° | 120.0° |
| C22 | C31 | C26 | H34 | 120.3° | 120.0° |
| C31 | C22 | C18 | C23 | 52.9° | 59.9° |
| C22 | C31 | C26 | N11 | 176.3° | 180.0° |
| C22 | C31 | C26 | C30 | 58.6° | 60.0° |
| C31 | C22 | H4 | H5 | 119.2° | 120.0° |
| C22 | C31 | C26 | H7 | 58.0° | 60.0° |
| C31 | C22 | C18 | H32 | 63.9° | 60.0° |
| C22 | C31 | H33 | H34 | 119.1° | 120.0° |
| C22 | C18 | C12 | O28 | 42.8° | 180.0° |
| C22 | C18 | C12 | C23 | 124.0° | 120.0° |
| C22 | C18 | C12 | H32 | 118.1° | 120.0° |
| C18 | C22 | C31 | C26 | 56.4° | 60.0° |
| C22 | C18 | C23 | H32 | 116.7° | 120.0° |
| C22 | C18 | C23 | C30 | 53.0° | 60.0° |
| C18 | C22 | H4 | H5 | 119.2° | 120.0° |
| C22 | C18 | C23 | H30 | 173.3° | 60.0° |
| C22 | C18 | C23 | H31 | 67.3° | 180.0° |
| C18 | C22 | C31 | H33 | 176.8° | 180.0° |
| C18 | C22 | C31 | H34 | 63.8° | 60.0° |
| O28 | C12 | C18 | C23 | 81.2° | 60.0° |
| O28 | C12 | C18 | H32 | 160.9° | 60.0° |
| C12 | C18 | C23 | H32 | 118.1° | 120.0° |
| C12 | C18 | C23 | C30 | 178.2° | 180.0° |
| C12 | C18 | C22 | H4 | 62.0° | 60.0° |
| C12 | C18 | C22 | H5 | 57.5° | 59.9° |
| C12 | C18 | C23 | H30 | 61.5° | 60.0° |
| C12 | C18 | C23 | H31 | 57.9° | 60.0° |
| C18 | C12 | O28 | H35 | 180.0° | 180.0° |
| C31 | C26 | N11 | C30 | 124.3° | 120.0° |
| C31 | C26 | N11 | H7 | 118.0° | 120.0° |
| C31 | C26 | C30 | H7 | 116.7° | 120.0° |
| C31 | C26 | C30 | C23 | 58.5° | 60.0° |
| C31 | C26 | N11 | C6 | 156.0° | 85.0° |
| C26 | C31 | C22 | H4 | 176.7° | 60.0° |
| C26 | C31 | C22 | H5 | 63.8° | 180.0° |
| C31 | C26 | N11 | H27 | 24.0° | 95.0° |
| C31 | C26 | C30 | H28 | 178.8° | 179.9° |
| C31 | C26 | C30 | H29 | 61.7° | 60.0° |
| C26 | C31 | H33 | H34 | 119.1° | 119.9° |
| C18 | C23 | C30 | C26 | 56.4° | 60.0° |
| C18 | C23 | C30 | H30 | 120.3° | 120.0° |
| C18 | C23 | C30 | H31 | 120.3° | 120.0° |
| C23 | C18 | C22 | H4 | 173.2° | 60.1° |
| C23 | C18 | C22 | H5 | 67.4° | 180.0° |
| C18 | C23 | C30 | H28 | 176.7° | 180.0° |
| C18 | C23 | C30 | H29 | 63.9° | 60.0° |
| C18 | C23 | H30 | H31 | 119.0° | 120.0° |
| O25 | C8 | N9 | C4 | 179.8° | 180.0° |
| O25 | C8 | N9 | C15 | 179.9° | 180.0° |
| O25 | C8 | C4 | C1 | 0.3° | 0.0° |
| O25 | C8 | C4 | C13 | 179.8° | 179.7° |
| C8 | O25 | C35 | H11 | 180.0° | 60.0° |
| C8 | O25 | C35 | H12 | 60.0° | 60.1° |
| C8 | O25 | C35 | H13 | 60.0° | 180.0° |
| C8 | N9 | C15 | O32 | 179.9° | 180.0° |
| C8 | N9 | C15 | C24 | 0.1° | 0.3° |
| N9 | C8 | C4 | C1 | 179.8° | 180.0° |
| N9 | C8 | C4 | C13 | 0.3° | 0.3° |
| C15 | N9 | C8 | C4 | 0.2° | 0.0° |
| N9 | C15 | O32 | C36 | 23.0° | 0.3° |
| N9 | C15 | O32 | C24 | 179.9° | 179.7° |
| N9 | C15 | C24 | C13 | 0.0° | 0.3° |
| N9 | C15 | C24 | H6 | 180.0° | 180.0° |
| C8 | C4 | C1 | N3 | 96.0° | 5.7° |
| C8 | C4 | C1 | C13 | 179.4° | 179.7° |
| C8 | C4 | C1 | N2 | 84.3° | 174.4° |
| C8 | C4 | C13 | C24 | 0.3° | 0.3° |
| C8 | C4 | C13 | H2 | 179.7° | 179.7° |
| C36 | O32 | C15 | C24 | 157.1° | 180.0° |
| O32 | C36 | H8 | H9 | 120.0° | 119.9° |
| O32 | C36 | H8 | H10 | 120.0° | 120.0° |
| O32 | C36 | H9 | H10 | 120.0° | 120.0° |
| C5 | C14 | C21 | H14 | 180.0° | 180.0° |
| C14 | C5 | N3 | C7 | 179.9° | 179.9° |
| C14 | C5 | N3 | C1 | 179.8° | 180.0° |
| C5 | C14 | C21 | F29 | 179.9° | 180.0° |
| C5 | C14 | C21 | C27 | 0.2° | 0.0° |
| C14 | C5 | C7 | N2 | 179.6° | 180.0° |
| C14 | C5 | C7 | C16 | 0.0° | 0.0° |
| C21 | C14 | C5 | N3 | 180.0° | 180.0° |
| C14 | C21 | F29 | C27 | 179.9° | 180.0° |
| C21 | C14 | C5 | C7 | 0.1° | 0.0° |
| C14 | C21 | C27 | C16 | 0.1° | 0.0° |
| C14 | C21 | C27 | H15 | 179.9° | 180.0° |
| C5 | N3 | C1 | C4 | 179.6° | 180.0° |
| C5 | N3 | C1 | N2 | 0.2° | 0.0° |
| N3 | C5 | C7 | N2 | 0.3° | 0.0° |
| N3 | C5 | C7 | C16 | 179.9° | 180.0° |
| N3 | C5 | C14 | H14 | 0.1° | 0.1° |
| C1 | N3 | C5 | C7 | 0.1° | 0.0° |
| N3 | C1 | C4 | N2 | 179.7° | 180.0° |
| N3 | C1 | C4 | C13 | 84.6° | 174.6° |
| N3 | C1 | N2 | C7 | 0.4° | 0.0° |
| N3 | C1 | N2 | C10 | 179.1° | 180.0° |
| F29 | C21 | C27 | C16 | 179.9° | 180.0° |
| F29 | C21 | C14 | H14 | 0.1° | 0.0° |
| F29 | C21 | C27 | H15 | 0.0° | 0.0° |
| N11 | C26 | C30 | H7 | 118.1° | 120.0° |
| N11 | C26 | C30 | C23 | 176.2° | 180.0° |
| C26 | N11 | C6 | H27 | 180.0° | 180.0° |
| C26 | N11 | C6 | C10 | 179.9° | 175.1° |
| C26 | N11 | C6 | O17 | 0.1° | 4.9° |
| N11 | C26 | C30 | H28 | 56.0° | 60.0° |
| N11 | C26 | C30 | H29 | 63.5° | 60.0° |
| N11 | C26 | C31 | H33 | 56.0° | 60.0° |
| N11 | C26 | C31 | H34 | 63.4° | 60.0° |
| C26 | C30 | C23 | H28 | 120.3° | 120.0° |
| C26 | C30 | C23 | H29 | 120.3° | 120.0° |
| C30 | C26 | N11 | C6 | 79.7° | 155.0° |
| C30 | C26 | N11 | H27 | 100.2° | 25.0° |
| C26 | C30 | H28 | H29 | 119.1° | 120.0° |
| C26 | C30 | C23 | H30 | 176.7° | 60.0° |
| C26 | C30 | C23 | H31 | 63.9° | 180.0° |
| C30 | C26 | C31 | H33 | 179.0° | 180.0° |
| C30 | C26 | C31 | H34 | 61.7° | 60.1° |
| O32 | C15 | C24 | C13 | 179.9° | 180.0° |
| O32 | C15 | C24 | H6 | 0.1° | 0.3° |
| C15 | O32 | C36 | H8 | 180.0° | 60.0° |
| C15 | O32 | C36 | H9 | 60.0° | 180.0° |
| C15 | O32 | C36 | H10 | 60.0° | 60.0° |
| C23 | C30 | C26 | H7 | 58.2° | 60.0° |
| C23 | C30 | H28 | H29 | 119.1° | 120.0° |
| C30 | C23 | H30 | H31 | 119.0° | 120.0° |
| C30 | C23 | C18 | H32 | 63.8° | 60.0° |
| C5 | C7 | N2 | C1 | 0.4° | 0.0° |
| C5 | C7 | N2 | C16 | 179.5° | 180.0° |
| C5 | C7 | C16 | C27 | 0.1° | 0.1° |
| C5 | C7 | N2 | C10 | 179.1° | 180.0° |
| C7 | C5 | C14 | H14 | 179.9° | 180.0° |
| C5 | C7 | C16 | H16 | 179.9° | 180.0° |
| C15 | C24 | C13 | C4 | 0.1° | 0.0° |
| C15 | C24 | C13 | H6 | 180.0° | 179.7° |
| C15 | C24 | C13 | H2 | 179.9° | 180.0° |
| C21 | C27 | C16 | C7 | 0.0° | 0.1° |
| C21 | C27 | C16 | H15 | 180.0° | 180.0° |
| C27 | C21 | C14 | H14 | 179.8° | 180.0° |
| C21 | C27 | C16 | H16 | 180.0° | 180.0° |
| C1 | C4 | C13 | C24 | 179.7° | 180.0° |
| C4 | C1 | N2 | C7 | 179.3° | 180.0° |
| C4 | C1 | N2 | C10 | 0.6° | 0.0° |
| C1 | C4 | C13 | H2 | 0.2° | 0.0° |
| C13 | C4 | C1 | N2 | 95.1° | 5.4° |
| C4 | C13 | C24 | H2 | 180.0° | 180.0° |
| C4 | C13 | C24 | H6 | 179.9° | 179.7° |
| C1 | N2 | C7 | C10 | 178.7° | 180.0° |
| C1 | N2 | C7 | C16 | 180.0° | 180.0° |
| C1 | N2 | C10 | C6 | 121.3° | 54.5° |
| C1 | N2 | C10 | C20 | 110.7° | 65.5° |
| C1 | N2 | C10 | H1 | 5.7° | 174.5° |
| N11 | C6 | C10 | N2 | 19.3° | 177.9° |
| N11 | C6 | C10 | O17 | 179.8° | 180.0° |
| N11 | C6 | C10 | C20 | 146.6° | 62.1° |
| N11 | C6 | C10 | H1 | 96.9° | 57.9° |
| C6 | N11 | C26 | H7 | 38.0° | 35.0° |
| N2 | C7 | C16 | C27 | 179.5° | 180.0° |
| C7 | N2 | C10 | C6 | 60.2° | 125.5° |
| C7 | N2 | C10 | C20 | 67.7° | 114.4° |
| C7 | N2 | C10 | H1 | 175.9° | 5.5° |
| N2 | C7 | C16 | H16 | 0.5° | 0.1° |
| C7 | C16 | C27 | H16 | 180.0° | 179.9° |
| C16 | C7 | N2 | C10 | 1.4° | 0.0° |
| C7 | C16 | C27 | H15 | 180.0° | 180.0° |
| N2 | C10 | C6 | C20 | 127.3° | 120.0° |
| N2 | C10 | C6 | H1 | 116.3° | 120.0° |
| N2 | C10 | C6 | O17 | 160.9° | 2.1° |
| N2 | C10 | C20 | H1 | 116.8° | 120.0° |
| N2 | C10 | C20 | C34 | 33.7° | 67.8° |
| N2 | C10 | C20 | C33 | 156.4° | 172.3° |
| N2 | C10 | C20 | H3 | 84.9° | 52.3° |
| C6 | C10 | C20 | H1 | 116.1° | 120.0° |
| C6 | C10 | C20 | C34 | 160.9° | 172.2° |
| C6 | C10 | C20 | C33 | 76.5° | 52.3° |
| C6 | C10 | C20 | H3 | 42.2° | 67.7° |
| C10 | C6 | N11 | H27 | 0.1° | 4.8° |
| O17 | C6 | C10 | C20 | 33.6° | 117.9° |
| O17 | C6 | C10 | H1 | 82.9° | 122.1° |
| O17 | C6 | N11 | H27 | 179.9° | 175.2° |
| C10 | C20 | C34 | C33 | 124.1° | 119.9° |
| C10 | C20 | C34 | H3 | 118.6° | 120.1° |
| C10 | C20 | C33 | H3 | 118.6° | 120.0° |
| C10 | C20 | C34 | C37 | 179.2° | 180.0° |
| C10 | C20 | C33 | C38 | 178.4° | 180.0° |
| C10 | C20 | C33 | H17 | 58.0° | 60.0° |
| C10 | C20 | C33 | H18 | 61.3° | 60.0° |
| C10 | C20 | C34 | H25 | 60.4° | 60.0° |
| C10 | C20 | C34 | H26 | 58.9° | 60.0° |
| C34 | C20 | C33 | H3 | 117.3° | 120.0° |
| C20 | C34 | C37 | H25 | 120.4° | 120.1° |
| C20 | C34 | C37 | H26 | 120.4° | 120.0° |
| C34 | C20 | C33 | C38 | 57.5° | 60.0° |
| C20 | C34 | C37 | C39 | 54.8° | 60.0° |
| C34 | C20 | C10 | H1 | 83.0° | 52.2° |
| C34 | C20 | C33 | H17 | 177.8° | 180.0° |
| C34 | C20 | C33 | H18 | 62.9° | 60.0° |
| C20 | C34 | C37 | H23 | 175.1° | 59.9° |
| C20 | C34 | C37 | H24 | 65.5° | 180.0° |
| C20 | C34 | H25 | H26 | 118.8° | 120.0° |
| C33 | C20 | C34 | C37 | 56.7° | 60.1° |
| C20 | C33 | C38 | H17 | 120.3° | 120.0° |
| C20 | C33 | C38 | H18 | 120.3° | 120.0° |
| C20 | C33 | C38 | C39 | 57.0° | 60.0° |
| C33 | C20 | C10 | H1 | 39.6° | 67.8° |
| C20 | C33 | H17 | H18 | 119.0° | 120.0° |
| C20 | C33 | C38 | H19 | 63.3° | 60.0° |
| C20 | C33 | C38 | H20 | 177.3° | 180.0° |
| C33 | C20 | C34 | H25 | 63.7° | 60.0° |
| C33 | C20 | C34 | H26 | 177.0° | 180.0° |
| C34 | C37 | C39 | H23 | 120.3° | 120.0° |
| C34 | C37 | C39 | H24 | 120.3° | 120.0° |
| C34 | C37 | C39 | C38 | 52.7° | 60.0° |
| C37 | C34 | C20 | H3 | 60.7° | 59.9° |
| C34 | C37 | C39 | H21 | 67.6° | 180.0° |
| C34 | C37 | C39 | H22 | 173.0° | 60.0° |
| C34 | C37 | H23 | H24 | 119.2° | 120.0° |
| C37 | C34 | H25 | H26 | 118.8° | 120.0° |
| C33 | C38 | C39 | C37 | 53.8° | 60.1° |
| C33 | C38 | C39 | H19 | 120.3° | 120.1° |
| C33 | C38 | C39 | H20 | 120.3° | 120.0° |
| C38 | C33 | C20 | H3 | 59.8° | 60.0° |
| C38 | C33 | H17 | H18 | 119.0° | 120.0° |
| C33 | C38 | H19 | H20 | 119.1° | 120.0° |
| C33 | C38 | C39 | H21 | 66.5° | 180.0° |
| C33 | C38 | C39 | H22 | 174.1° | 60.0° |
| C37 | C39 | C38 | H21 | 120.3° | 120.0° |
| C37 | C39 | C38 | H22 | 120.3° | 120.0° |
| C37 | C39 | C38 | H19 | 66.5° | 60.0° |
| C37 | C39 | C38 | H20 | 174.1° | 180.0° |
| C37 | C39 | H21 | H22 | 119.0° | 120.0° |
| C39 | C37 | H23 | H24 | 119.1° | 120.0° |
| C39 | C37 | C34 | H25 | 65.6° | 60.0° |
| C39 | C37 | C34 | H26 | 175.2° | 180.0° |
| C39 | C38 | C33 | H17 | 177.3° | 180.0° |
| C39 | C38 | C33 | H18 | 63.3° | 59.9° |
| C39 | C38 | H19 | H20 | 119.1° | 119.9° |
| C38 | C39 | H21 | H22 | 119.1° | 120.0° |
| C38 | C39 | C37 | H23 | 173.0° | 60.0° |
| C38 | C39 | C37 | H24 | 67.6° | 180.0° |
| H1 | C10 | C20 | H3 | 158.3° | 172.3° |
| H2 | C13 | C24 | H6 | 0.1° | 0.3° |
| H3 | C20 | C33 | H17 | 60.5° | 60.0° |
| H3 | C20 | C33 | H18 | 179.9° | 180.0° |
| H3 | C20 | C34 | H25 | 178.9° | 179.9° |
| H3 | C20 | C34 | H26 | 59.7° | 60.0° |
| H4 | C22 | C18 | H32 | 56.4° | NaN° |
| H4 | C22 | C31 | H33 | 63.0° | 60.0° |
| H4 | C22 | C31 | H34 | 56.4° | 180.0° |
| H5 | C22 | C18 | H32 | 175.9° | 60.1° |
| H5 | C22 | C31 | H33 | 56.5° | 60.0° |
| H5 | C22 | C31 | H34 | 175.9° | 60.0° |
| H7 | C26 | N11 | H27 | 142.0° | 145.0° |
| H7 | C26 | C30 | H28 | 62.1° | 60.0° |
| H7 | C26 | C30 | H29 | 178.4° | 180.0° |
| H7 | C26 | C31 | H33 | 62.3° | 60.0° |
| H7 | C26 | C31 | H34 | 178.3° | 179.9° |
| H8 | C36 | H9 | H10 | 120.0° | 120.1° |
| H11 | C35 | H12 | H13 | 120.0° | 120.0° |
| H15 | C27 | C16 | H16 | 0.0° | 0.0° |
| H17 | C33 | C38 | H19 | 57.1° | 60.0° |
| H17 | C33 | C38 | H20 | 62.4° | 60.0° |
| H18 | C33 | C38 | H19 | 176.4° | 180.0° |
| H18 | C33 | C38 | H20 | 57.0° | 60.0° |
| H19 | C38 | C39 | H21 | 173.2° | 59.9° |
| H19 | C38 | C39 | H22 | 53.8° | 180.0° |
| H20 | C38 | C39 | H21 | 53.8° | 60.0° |
| H20 | C38 | C39 | H22 | 65.6° | 60.0° |
| H21 | C39 | C37 | H23 | 52.7° | 60.0° |
| H21 | C39 | C37 | H24 | 172.1° | 60.0° |
| H22 | C39 | C37 | H23 | 66.7° | NaN° |
| H22 | C39 | C37 | H24 | 52.7° | 60.0° |
| H23 | C37 | C34 | H25 | 54.7° | 180.0° |
| H23 | C37 | C34 | H26 | 64.5° | 60.0° |
| H24 | C37 | C34 | H25 | 174.1° | 60.0° |
| H24 | C37 | C34 | H26 | 54.9° | 60.0° |
| H28 | C30 | C23 | H30 | 63.0° | 60.0° |
| H28 | C30 | C23 | H31 | 56.4° | 60.0° |
| H29 | C30 | C23 | H30 | 56.4° | 180.0° |
| H29 | C30 | C23 | H31 | 175.8° | 60.0° |
| H30 | C23 | C18 | H32 | 56.5° | 180.0° |
| H31 | C23 | C18 | H32 | 175.9° | 60.0° |
