N2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | CL24 | sing | 1.74Å | 1.79Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.49Å | Aromatic |
| C3 | N15 | sing | 1.39Å | 1.33Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N13 | sing | 1.39Å | 1.33Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.33Å | |
| N13 | C22 | sing | 1.47Å | 1.48Å | |
| C14 | N15 | sing | 1.35Å | 1.34Å | |
| C14 | O58 | doub | 1.22Å | 1.29Å | |
| N15 | C20 | sing | 1.46Å | 1.49Å | |
| C20 | C26 | sing | 1.53Å | 1.53Å | |
| C20 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | N28 | sing | 1.47Å | 1.46Å | |
| N28 | C29 | sing | 1.47Å | 1.46Å | |
| N28 | C37 | sing | 1.47Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | N43 | sing | 1.46Å | 1.47Å | |
| N43 | C45 | sing | 1.35Å | 1.41Å | |
| N43 | C49 | sing | 1.35Å | 1.34Å | |
| C45 | C46 | sing | 1.42Å | 1.50Å | |
| C45 | O56 | doub | 1.22Å | 1.26Å | |
| C46 | C47 | doub | 1.38Å | 1.39Å | |
| C46 | C60 | sing | 1.48Å | 1.50Å | |
| C47 | N48 | sing | 1.33Å | 1.34Å | |
| N48 | C49 | doub | 1.31Å | 1.35Å | |
| C60 | C62 | doub | 1.39Å | 1.40Å | Aromatic |
| C60 | C66 | sing | 1.39Å | 1.40Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.39Å | Aromatic |
| C63 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C64 | C65 | sing | 1.38Å | 1.49Å | Aromatic |
| C64 | CL73 | sing | 1.74Å | 1.79Å | |
| C65 | C66 | doub | 1.38Å | 1.39Å | Aromatic |
| C65 | C75 | sing | 1.51Å | 1.51Å | |
| C75 | N77 | sing | 1.47Å | 1.45Å | |
| N77 | C79 | sing | 1.35Å | 1.34Å | |
| C79 | O81 | doub | 1.22Å | 1.23Å | |
| C79 | C83 | sing | 1.48Å | 1.50Å | |
| C83 | C85 | doub | 1.40Å | 1.39Å | Aromatic |
| C83 | C89 | sing | 1.40Å | 1.40Å | Aromatic |
| C85 | C86 | sing | 1.38Å | 1.39Å | Aromatic |
| C86 | C87 | doub | 1.39Å | 1.39Å | Aromatic |
| C87 | C88 | sing | 1.39Å | 1.39Å | Aromatic |
| C87 | F96 | sing | 1.35Å | 1.34Å | |
| C88 | C89 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | 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 | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | 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 | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C62 | H62 | sing | 1.08Å | 1.08Å | |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H75A | sing | 1.09Å | 1.10Å | |
| N77 | HN77 | sing | 0.97Å | 1.00Å | |
| C85 | H85 | sing | 1.08Å | 1.08Å | |
| C86 | H86 | sing | 1.08Å | 1.08Å | |
| C88 | H88 | sing | 1.08Å | 1.08Å | |
| C89 | H89 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.3° | 120.3° |
| C2 | C1 | CL24 | 119.0° | 119.9° |
| C1 | C2 | C3 | 119.4° | 119.8° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C6 | C1 | CL24 | 119.7° | 119.8° |
| C1 | C6 | C5 | 121.5° | 120.3° |
| C1 | C6 | H6 | 119.3° | 119.9° |
| C2 | C3 | C4 | 119.5° | 119.9° |
| C2 | C3 | N15 | 133.5° | 133.3° |
| C3 | C2 | H2 | 120.3° | 120.1° |
| C4 | C3 | N15 | 107.0° | 106.8° |
| C3 | C4 | C5 | 118.8° | 119.9° |
| C3 | C4 | N13 | 106.9° | 106.8° |
| C3 | N15 | C14 | 105.1° | 108.4° |
| C3 | N15 | C20 | 124.9° | 125.9° |
| C5 | C4 | N13 | 134.3° | 133.4° |
| C4 | C5 | C6 | 119.4° | 119.9° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C4 | N13 | C14 | 105.1° | 108.4° |
| C4 | N13 | C22 | 127.2° | 125.8° |
| C6 | C5 | H5 | 120.3° | 120.1° |
| C5 | C6 | H6 | 119.2° | 119.8° |
| C14 | N13 | C22 | 127.7° | 125.8° |
| N13 | C14 | N15 | 115.9° | 109.7° |
| N13 | C14 | O58 | 121.3° | 125.1° |
| N13 | C22 | H22 | 109.5° | 109.5° |
| N13 | C22 | H22A | 109.5° | 109.5° |
| N13 | C22 | H22B | 109.5° | 109.5° |
| N15 | C14 | O58 | 122.9° | 125.2° |
| C14 | N15 | C20 | 130.0° | 125.8° |
| N15 | C20 | C26 | 112.2° | 109.5° |
| N15 | C20 | C30 | 109.4° | 109.6° |
| N15 | C20 | H20 | 108.3° | 109.5° |
| C26 | C20 | C30 | 111.4° | 109.1° |
| C20 | C26 | C27 | 109.2° | 109.3° |
| C26 | C20 | H20 | 106.2° | 109.5° |
| C20 | C26 | H26 | 109.5° | 109.5° |
| C20 | C26 | H26A | 109.6° | 109.5° |
| C20 | C30 | C29 | 113.8° | 109.3° |
| C30 | C20 | H20 | 109.2° | 109.6° |
| C20 | C30 | H30 | 108.0° | 109.5° |
| C20 | C30 | H30A | 108.0° | 109.5° |
| C26 | C27 | N28 | 107.7° | 109.5° |
| C27 | C26 | H26 | 109.6° | 109.5° |
| C27 | C26 | H26A | 109.6° | 109.5° |
| C26 | C27 | H27 | 110.0° | 109.4° |
| C26 | C27 | H27A | 110.1° | 109.5° |
| C27 | N28 | C29 | 122.1° | 111.2° |
| C27 | N28 | C37 | 117.5° | 111.0° |
| N28 | C27 | H27 | 110.1° | 109.5° |
| N28 | C27 | H27A | 110.1° | 109.5° |
| C29 | N28 | C37 | 120.3° | 111.0° |
| N28 | C29 | C30 | 108.6° | 109.5° |
| N28 | C29 | H29 | 109.8° | 109.4° |
| N28 | C29 | H29A | 109.7° | 109.4° |
| N28 | C37 | C39 | 108.3° | 109.5° |
| N28 | C37 | H37 | 109.9° | 109.4° |
| N28 | C37 | H37A | 109.9° | 109.4° |
| C30 | C29 | H29 | 109.7° | 109.5° |
| C30 | C29 | H29A | 109.8° | 109.5° |
| C29 | C30 | H30 | 108.0° | 109.5° |
| C29 | C30 | H30A | 108.0° | 109.5° |
| C37 | C39 | C41 | 110.3° | 109.5° |
| C39 | C37 | H37 | 109.9° | 109.5° |
| C39 | C37 | H37A | 109.9° | 109.5° |
| C37 | C39 | H39 | 109.2° | 109.5° |
| C37 | C39 | H39A | 109.2° | 109.5° |
| C39 | C41 | N43 | 112.2° | 109.5° |
| C41 | C39 | H39 | 109.2° | 109.5° |
| C41 | C39 | H39A | 109.2° | 109.5° |
| C39 | C41 | H41 | 108.6° | 109.4° |
| C39 | C41 | H41A | 108.6° | 109.4° |
| C41 | N43 | C45 | 120.7° | 119.9° |
| C41 | N43 | C49 | 119.9° | 119.9° |
| N43 | C41 | H41 | 108.5° | 109.5° |
| N43 | C41 | H41A | 108.6° | 109.5° |
| C45 | N43 | C49 | 119.4° | 120.1° |
| N43 | C45 | C46 | 117.9° | 118.4° |
| N43 | C45 | O56 | 119.6° | 120.8° |
| N43 | C49 | N48 | 122.1° | 121.9° |
| N43 | C49 | H49 | 118.9° | 119.1° |
| C46 | C45 | O56 | 122.4° | 120.8° |
| C45 | C46 | C47 | 117.2° | 118.3° |
| C45 | C46 | C60 | 122.6° | 120.9° |
| C47 | C46 | C60 | 120.2° | 120.9° |
| C46 | C47 | N48 | 120.0° | 119.6° |
| C46 | C47 | H47 | 120.0° | 120.2° |
| C46 | C60 | C62 | 119.7° | 120.1° |
| C46 | C60 | C66 | 120.6° | 120.1° |
| C47 | N48 | C49 | 123.3° | 121.6° |
| N48 | C47 | H47 | 120.0° | 120.2° |
| N48 | C49 | H49 | 118.9° | 119.0° |
| C62 | C60 | C66 | 119.7° | 119.8° |
| C60 | C62 | C63 | 121.4° | 119.9° |
| C60 | C62 | H62 | 119.3° | 120.1° |
| C60 | C66 | C65 | 120.8° | 119.9° |
| C60 | C66 | H66 | 119.6° | 120.1° |
| C62 | C63 | C64 | 120.8° | 120.1° |
| C63 | C62 | H62 | 119.3° | 120.1° |
| C62 | C63 | H63 | 119.6° | 119.9° |
| C63 | C64 | C65 | 118.6° | 120.2° |
| C63 | C64 | CL73 | 118.9° | 119.9° |
| C64 | C63 | H63 | 119.6° | 120.0° |
| C65 | C64 | CL73 | 122.6° | 119.9° |
| C64 | C65 | C66 | 118.7° | 120.1° |
| C64 | C65 | C75 | 121.8° | 119.9° |
| C66 | C65 | C75 | 119.5° | 120.0° |
| C65 | C66 | H66 | 119.6° | 120.0° |
| C65 | C75 | N77 | 110.0° | 109.5° |
| C65 | C75 | H75 | 109.3° | 109.5° |
| C65 | C75 | H75A | 109.3° | 109.5° |
| C75 | N77 | C79 | 122.7° | 120.0° |
| N77 | C75 | H75 | 109.3° | 109.5° |
| N77 | C75 | H75A | 109.3° | 109.5° |
| C75 | N77 | HN77 | 118.7° | 120.0° |
| N77 | C79 | O81 | 123.2° | 120.0° |
| N77 | C79 | C83 | 118.5° | 120.0° |
| C79 | N77 | HN77 | 118.7° | 120.0° |
| O81 | C79 | C83 | 118.3° | 120.0° |
| C79 | C83 | C85 | 119.4° | 120.2° |
| C79 | C83 | C89 | 120.7° | 120.1° |
| C85 | C83 | C89 | 119.9° | 119.7° |
| C83 | C85 | C86 | 120.4° | 119.9° |
| C83 | C85 | H85 | 119.8° | 120.0° |
| C83 | C89 | C88 | 119.7° | 119.9° |
| C83 | C89 | H89 | 120.1° | 120.0° |
| C85 | C86 | C87 | 119.6° | 120.2° |
| C86 | C85 | H85 | 119.8° | 120.1° |
| C85 | C86 | H86 | 120.2° | 119.9° |
| C86 | C87 | C88 | 120.3° | 120.2° |
| C86 | C87 | F96 | 119.4° | 119.9° |
| C87 | C86 | H86 | 120.2° | 119.9° |
| C88 | C87 | F96 | 120.3° | 119.9° |
| C87 | C88 | C89 | 120.0° | 120.1° |
| C87 | C88 | H88 | 120.0° | 119.9° |
| C89 | C88 | H88 | 120.0° | 120.0° |
| C88 | C89 | H89 | 120.1° | 120.0° |
| H22 | C22 | H22A | 109.4° | 109.5° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| H26 | C26 | H26A | 109.4° | 109.5° |
| H27 | C27 | H27A | 108.8° | 109.5° |
| H29 | C29 | H29A | 109.2° | 109.5° |
| H30 | C30 | H30A | 110.9° | 109.5° |
| H37 | C37 | H37A | 109.1° | 109.5° |
| H39 | C39 | H39A | 109.8° | 109.5° |
| H41 | C41 | H41A | 110.3° | 109.5° |
| H75 | C75 | H75A | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | CL24 | 179.7° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | N15 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| CL24 | C1 | C2 | C3 | 179.7° | 179.7° |
| CL24 | C1 | C6 | C5 | 179.9° | 179.8° |
| CL24 | C1 | C2 | H2 | 0.3° | 0.3° |
| CL24 | C1 | C6 | H6 | 0.1° | 0.3° |
| C2 | C3 | C4 | N15 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | N13 | 180.0° | 179.9° |
| C2 | C3 | N15 | C14 | 180.0° | 180.0° |
| C2 | C3 | N15 | C20 | 0.3° | 0.0° |
| C3 | C4 | C5 | N13 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | N13 | C14 | 0.1° | 0.0° |
| C3 | C4 | N13 | C22 | 179.6° | 180.0° |
| C4 | C3 | N15 | C14 | 0.4° | 0.0° |
| C4 | C3 | N15 | C20 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| N15 | C3 | C4 | C5 | 179.7° | 180.0° |
| N15 | C3 | C4 | N13 | 0.3° | 0.0° |
| C3 | N15 | C14 | N13 | 0.3° | 0.0° |
| C3 | N15 | C14 | C20 | 179.6° | 180.0° |
| C3 | N15 | C14 | O58 | 179.5° | 180.0° |
| C3 | N15 | C20 | C26 | 140.0° | 120.0° |
| C3 | N15 | C20 | C30 | 95.8° | 120.3° |
| N15 | C3 | C2 | H2 | 0.4° | 0.1° |
| C3 | N15 | C20 | H20 | 23.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | N13 | C14 | 179.9° | 180.0° |
| C5 | C4 | N13 | C22 | 0.3° | 0.1° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| N13 | C4 | C5 | C6 | 179.9° | 179.9° |
| C4 | N13 | C14 | C22 | 179.8° | 179.9° |
| C4 | N13 | C14 | N15 | 0.1° | 0.0° |
| C4 | N13 | C14 | O58 | 179.7° | 180.0° |
| N13 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | N13 | C22 | H22 | 180.0° | 89.9° |
| C4 | N13 | C22 | H22A | 60.0° | 150.0° |
| C4 | N13 | C22 | H22B | 60.0° | 30.1° |
| N13 | C14 | N15 | O58 | 179.8° | 180.0° |
| N13 | C14 | N15 | C20 | 180.0° | 180.0° |
| C14 | N13 | C22 | H22 | 0.3° | 90.0° |
| C14 | N13 | C22 | H22A | 120.3° | 30.0° |
| C14 | N13 | C22 | H22B | 119.7° | 150.0° |
| C22 | N13 | C14 | N15 | 179.9° | 180.0° |
| C22 | N13 | C14 | O58 | 0.1° | 0.0° |
| N13 | C22 | H22 | H22A | 120.0° | 120.0° |
| N13 | C22 | H22 | H22B | 120.0° | 120.0° |
| N13 | C22 | H22A | H22B | 120.0° | 120.0° |
| C14 | N15 | C20 | C26 | 40.4° | 60.0° |
| C14 | N15 | C20 | C30 | 83.7° | 59.7° |
| C14 | N15 | C20 | H20 | 157.3° | 179.9° |
| O58 | C14 | N15 | C20 | 0.2° | 0.0° |
| N15 | C20 | C26 | C30 | 123.0° | 119.9° |
| N15 | C20 | C26 | H20 | 118.2° | 120.1° |
| N15 | C20 | C30 | H20 | 118.4° | 120.2° |
| N15 | C20 | C26 | C27 | 175.1° | 177.6° |
| N15 | C20 | C30 | C29 | 137.7° | 177.6° |
| N15 | C20 | C26 | H26 | 55.1° | 62.5° |
| N15 | C20 | C26 | H26A | 64.9° | 57.6° |
| N15 | C20 | C30 | H30 | 17.7° | 57.6° |
| N15 | C20 | C30 | H30A | 102.3° | 62.5° |
| C26 | C20 | C30 | H20 | 117.0° | 119.9° |
| C20 | C26 | C27 | H26 | 120.0° | 120.0° |
| C20 | C26 | C27 | H26A | 120.0° | 120.0° |
| C20 | C26 | C27 | N28 | 52.5° | 59.2° |
| C26 | C20 | C30 | C29 | 13.0° | 57.7° |
| C20 | C26 | H26 | H26A | 120.1° | 120.1° |
| C20 | C26 | C27 | H27 | 67.5° | 60.8° |
| C20 | C26 | C27 | H27A | 172.5° | 179.2° |
| C26 | C20 | C30 | H30 | 107.0° | 62.4° |
| C26 | C20 | C30 | H30A | 133.0° | 177.6° |
| C30 | C20 | C26 | C27 | 61.9° | 57.6° |
| C20 | C30 | C29 | N28 | 39.2° | 59.2° |
| C20 | C30 | C29 | H30 | 120.0° | 120.0° |
| C20 | C30 | C29 | H30A | 120.0° | 120.0° |
| C30 | C20 | C26 | H26 | 178.1° | 177.6° |
| C30 | C20 | C26 | H26A | 58.1° | 62.3° |
| C20 | C30 | C29 | H29 | 159.2° | 60.8° |
| C20 | C30 | C29 | H29A | 80.8° | 179.2° |
| C20 | C30 | H30 | H30A | 118.2° | 120.1° |
| C26 | C27 | N28 | H27 | 120.0° | 120.0° |
| C26 | C27 | N28 | H27A | 120.0° | 120.0° |
| C26 | C27 | N28 | C29 | 4.0° | 61.7° |
| C26 | C27 | N28 | C37 | 174.9° | 174.2° |
| C27 | C26 | C20 | H20 | 56.9° | 62.3° |
| C27 | C26 | H26 | H26A | 120.1° | 120.1° |
| C26 | C27 | H27 | H27A | 120.7° | 120.0° |
| C27 | N28 | C29 | C37 | 178.8° | 124.1° |
| C27 | N28 | C29 | C30 | 51.1° | 61.7° |
| C27 | N28 | C37 | C39 | 127.9° | 170.0° |
| N28 | C27 | C26 | H26 | 172.5° | 179.1° |
| N28 | C27 | C26 | H26A | 67.5° | 60.8° |
| N28 | C27 | H27 | H27A | 120.7° | 120.0° |
| C27 | N28 | C29 | H29 | 171.1° | 58.2° |
| C27 | N28 | C29 | H29A | 68.9° | 178.2° |
| C27 | N28 | C37 | H37 | 112.2° | 70.0° |
| C27 | N28 | C37 | H37A | 7.9° | 50.0° |
| N28 | C29 | C30 | H29 | 120.0° | 120.0° |
| N28 | C29 | C30 | H29A | 120.0° | 120.0° |
| C29 | N28 | C37 | C39 | 53.2° | 65.8° |
| C29 | N28 | C27 | H27 | 124.0° | 58.3° |
| C29 | N28 | C27 | H27A | 116.1° | 178.2° |
| N28 | C29 | H29 | H29A | 120.3° | 120.0° |
| N28 | C29 | C30 | H30 | 159.2° | 60.8° |
| N28 | C29 | C30 | H30A | 80.8° | 179.2° |
| C29 | N28 | C37 | H37 | 66.7° | 54.2° |
| C29 | N28 | C37 | H37A | 173.2° | 174.2° |
| C37 | N28 | C29 | C30 | 127.7° | 174.2° |
| N28 | C37 | C39 | H37 | 120.0° | 120.0° |
| N28 | C37 | C39 | H37A | 120.0° | 120.0° |
| N28 | C37 | C39 | C41 | 178.7° | 180.0° |
| C37 | N28 | C27 | H27 | 54.9° | 65.8° |
| C37 | N28 | C27 | H27A | 65.1° | 54.1° |
| C37 | N28 | C29 | H29 | 7.8° | 65.9° |
| C37 | N28 | C29 | H29A | 112.3° | 54.1° |
| N28 | C37 | H37 | H37A | 120.5° | 119.9° |
| N28 | C37 | C39 | H39 | 58.7° | 60.0° |
| N28 | C37 | C39 | H39A | 61.3° | 60.0° |
| C29 | C30 | C20 | H20 | 104.0° | 62.2° |
| C30 | C29 | H29 | H29A | 120.4° | 120.0° |
| C29 | C30 | H30 | H30A | 118.2° | 120.0° |
| C37 | C39 | C41 | H39 | 120.0° | 120.0° |
| C37 | C39 | C41 | H39A | 120.0° | 120.0° |
| C37 | C39 | C41 | N43 | 60.5° | 180.0° |
| C39 | C37 | H37 | H37A | 120.5° | 120.1° |
| C37 | C39 | H39 | H39A | 119.7° | 120.0° |
| C37 | C39 | C41 | H41 | 59.5° | 60.0° |
| C37 | C39 | C41 | H41A | 179.5° | 60.0° |
| C39 | C41 | N43 | H41 | 120.0° | 119.9° |
| C39 | C41 | N43 | H41A | 120.0° | 120.0° |
| C39 | C41 | N43 | C45 | 74.1° | 90.0° |
| C39 | C41 | N43 | C49 | 106.9° | 90.3° |
| C41 | C39 | C37 | H37 | 61.3° | 60.0° |
| C41 | C39 | C37 | H37A | 58.8° | 60.0° |
| C41 | C39 | H39 | H39A | 119.7° | 120.0° |
| C39 | C41 | H41 | H41A | 118.9° | 120.0° |
| C41 | N43 | C45 | C49 | 179.0° | 179.7° |
| C41 | N43 | C45 | C46 | 179.1° | 180.0° |
| C41 | N43 | C45 | O56 | 1.1° | 0.1° |
| C41 | N43 | C49 | N48 | 179.4° | 179.7° |
| N43 | C41 | C39 | H39 | 179.5° | 60.0° |
| N43 | C41 | C39 | H39A | 59.5° | 60.0° |
| N43 | C41 | H41 | H41A | 118.8° | 120.1° |
| C41 | N43 | C49 | H49 | 0.5° | 0.0° |
| N43 | C45 | C46 | O56 | 179.7° | 180.0° |
| N43 | C45 | C46 | C47 | 0.1° | 0.0° |
| N43 | C45 | C46 | C60 | 180.0° | 180.0° |
| C45 | N43 | C49 | N48 | 0.5° | 0.6° |
| C45 | N43 | C41 | H41 | 165.8° | 29.9° |
| C45 | N43 | C41 | H41A | 45.9° | 150.0° |
| C45 | N43 | C49 | H49 | 179.5° | 179.7° |
| C49 | N43 | C45 | C46 | 0.2° | 0.3° |
| C49 | N43 | C45 | O56 | 179.9° | 179.8° |
| N43 | C49 | N48 | C47 | 0.4° | 0.6° |
| N43 | C49 | N48 | H49 | 180.0° | 179.7° |
| C49 | N43 | C41 | H41 | 13.1° | 149.8° |
| C49 | N43 | C41 | H41A | 133.1° | 29.7° |
| C45 | C46 | C47 | C60 | 179.9° | 180.0° |
| C45 | C46 | C47 | N48 | 0.2° | 0.0° |
| C45 | C46 | C60 | C62 | 35.1° | 65.0° |
| C45 | C46 | C60 | C66 | 145.9° | 114.7° |
| C45 | C46 | C47 | H47 | 179.8° | 179.9° |
| O56 | C45 | C46 | C47 | 179.6° | 180.0° |
| O56 | C45 | C46 | C60 | 0.3° | 0.0° |
| C46 | C47 | N48 | H47 | 180.0° | 179.9° |
| C46 | C47 | N48 | C49 | 0.1° | 0.3° |
| C47 | C46 | C60 | C62 | 145.0° | 115.0° |
| C47 | C46 | C60 | C66 | 34.0° | 65.3° |
| C60 | C46 | C47 | N48 | 179.9° | 179.9° |
| C46 | C60 | C62 | C66 | 179.1° | 179.6° |
| C46 | C60 | C62 | C63 | 179.8° | 180.0° |
| C46 | C60 | C66 | C65 | 179.7° | 179.7° |
| C60 | C46 | C47 | H47 | 0.1° | 0.0° |
| C46 | C60 | C62 | H62 | 0.1° | 0.0° |
| C46 | C60 | C66 | H66 | 0.3° | 0.0° |
| C47 | N48 | C49 | H49 | 179.5° | 179.7° |
| C49 | N48 | C47 | H47 | 179.9° | 179.8° |
| C60 | C62 | C63 | H62 | 180.0° | 180.0° |
| C60 | C62 | C63 | C64 | 0.5° | 0.0° |
| C62 | C60 | C66 | C65 | 0.6° | 0.7° |
| C60 | C62 | C63 | H63 | 179.5° | 180.0° |
| C62 | C60 | C66 | H66 | 179.4° | 179.7° |
| C66 | C60 | C62 | C63 | 0.8° | 0.3° |
| C60 | C66 | C65 | C64 | 0.2° | 0.6° |
| C60 | C66 | C65 | H66 | 180.0° | 179.6° |
| C60 | C66 | C65 | C75 | 179.9° | 179.6° |
| C66 | C60 | C62 | H62 | 179.2° | 179.7° |
| C62 | C63 | C64 | H63 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.1° | 0.0° |
| C62 | C63 | C64 | CL73 | 179.6° | 180.0° |
| C63 | C64 | C65 | CL73 | 179.5° | 180.0° |
| C63 | C64 | C65 | C66 | 0.0° | 0.3° |
| C63 | C64 | C65 | C75 | 179.8° | 180.0° |
| C64 | C63 | C62 | H62 | 179.4° | 180.0° |
| C64 | C65 | C66 | C75 | 179.9° | 179.7° |
| C64 | C65 | C75 | N77 | 101.7° | 75.0° |
| C65 | C64 | C63 | H63 | 179.9° | 180.0° |
| C64 | C65 | C66 | H66 | 179.8° | 179.7° |
| C64 | C65 | C75 | H75 | 138.3° | 45.0° |
| C64 | C65 | C75 | H75A | 18.2° | 165.0° |
| CL73 | C64 | C65 | C66 | 179.4° | 179.7° |
| CL73 | C64 | C65 | C75 | 0.7° | 0.0° |
| CL73 | C64 | C63 | H63 | 0.4° | 0.0° |
| C66 | C65 | C75 | N77 | 78.4° | 105.3° |
| C66 | C65 | C75 | H75 | 41.6° | 134.7° |
| C66 | C65 | C75 | H75A | 161.6° | 14.7° |
| C65 | C75 | N77 | H75 | 120.0° | 120.0° |
| C65 | C75 | N77 | H75A | 120.0° | 120.0° |
| C65 | C75 | N77 | C79 | 150.0° | 180.0° |
| C75 | C65 | C66 | H66 | 0.1° | 0.0° |
| C65 | C75 | H75 | H75A | 119.8° | 120.0° |
| C65 | C75 | N77 | HN77 | 30.0° | 0.0° |
| C75 | N77 | C79 | HN77 | 180.0° | 180.0° |
| C75 | N77 | C79 | O81 | 1.5° | 0.0° |
| C75 | N77 | C79 | C83 | 177.3° | 180.0° |
| N77 | C75 | H75 | H75A | 119.8° | 120.0° |
| N77 | C79 | O81 | C83 | 178.9° | 180.0° |
| N77 | C79 | C83 | C85 | 143.0° | 180.0° |
| N77 | C79 | C83 | C89 | 37.4° | 0.3° |
| C79 | N77 | C75 | H75 | 30.0° | 60.0° |
| C79 | N77 | C75 | H75A | 90.0° | 60.0° |
| O81 | C79 | C83 | C85 | 38.0° | 0.0° |
| O81 | C79 | C83 | C89 | 141.5° | 179.7° |
| O81 | C79 | N77 | HN77 | 178.4° | 180.0° |
| C79 | C83 | C85 | C89 | 179.6° | 179.6° |
| C79 | C83 | C85 | C86 | 179.8° | 180.0° |
| C79 | C83 | C89 | C88 | 179.8° | 179.7° |
| C83 | C79 | N77 | HN77 | 2.7° | 0.0° |
| C79 | C83 | C85 | H85 | 0.2° | 0.1° |
| C79 | C83 | C89 | H89 | 0.2° | 0.1° |
| C83 | C85 | C86 | H85 | 180.0° | 179.9° |
| C83 | C85 | C86 | C87 | 0.4° | 0.1° |
| C85 | C83 | C89 | C88 | 0.2° | 0.7° |
| C83 | C85 | C86 | H86 | 179.6° | 179.9° |
| C85 | C83 | C89 | H89 | 179.8° | 179.7° |
| C89 | C83 | C85 | C86 | 0.2° | 0.4° |
| C83 | C89 | C88 | C87 | 0.3° | 0.7° |
| C83 | C89 | C88 | H89 | 180.0° | 179.6° |
| C89 | C83 | C85 | H85 | 179.8° | 179.7° |
| C83 | C89 | C88 | H88 | 179.7° | 179.6° |
| C85 | C86 | C87 | H86 | 180.0° | 180.0° |
| C85 | C86 | C87 | C88 | 0.5° | 0.1° |
| C85 | C86 | C87 | F96 | 179.8° | 180.0° |
| C86 | C87 | C88 | F96 | 179.8° | 180.0° |
| C86 | C87 | C88 | C89 | 0.4° | 0.4° |
| C87 | C86 | C85 | H85 | 179.7° | 180.0° |
| C86 | C87 | C88 | H88 | 179.6° | 179.9° |
| C87 | C88 | C89 | H88 | 180.0° | 179.7° |
| C88 | C87 | C86 | H86 | 179.5° | 180.0° |
| C87 | C88 | C89 | H89 | 179.7° | 179.7° |
| F96 | C87 | C88 | C89 | 179.8° | 179.7° |
| F96 | C87 | C86 | H86 | 0.3° | 0.0° |
| F96 | C87 | C88 | H88 | 0.2° | 0.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| H20 | C20 | C26 | H26 | 63.1° | 57.6° |
| H20 | C20 | C26 | H26A | 176.9° | 177.7° |
| H20 | C20 | C30 | H30 | 136.1° | 177.7° |
| H20 | C20 | C30 | H30A | 16.1° | 57.7° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H26 | C26 | C27 | H27 | 52.5° | 59.1° |
| H26 | C26 | C27 | H27A | 67.5° | 60.9° |
| H26A | C26 | C27 | H27 | 172.5° | 179.2° |
| H26A | C26 | C27 | H27A | 52.5° | 59.2° |
| H29 | C29 | C30 | H30 | 80.8° | 179.2° |
| H29 | C29 | C30 | H30A | 39.2° | 59.2° |
| H29A | C29 | C30 | H30 | 39.2° | 59.2° |
| H29A | C29 | C30 | H30A | 159.2° | 60.9° |
| H37 | C37 | C39 | H39 | 178.7° | 180.0° |
| H37 | C37 | C39 | H39A | 58.7° | 60.0° |
| H37A | C37 | C39 | H39 | 61.3° | 59.9° |
| H37A | C37 | C39 | H39A | 178.7° | 180.0° |
| H39 | C39 | C41 | H41 | 60.5° | 180.0° |
| H39 | C39 | C41 | H41A | 59.5° | 60.0° |
| H39A | C39 | C41 | H41 | 179.5° | 60.0° |
| H39A | C39 | C41 | H41A | 60.5° | 180.0° |
| H62 | C62 | C63 | H63 | 0.5° | 0.0° |
| H75 | C75 | N77 | HN77 | 150.0° | 120.0° |
| H75A | C75 | N77 | HN77 | 90.0° | 120.0° |
| H85 | C85 | C86 | H86 | 0.4° | 0.0° |
| H88 | C88 | C89 | H89 | 0.3° | 0.0° |
