3Y0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | O2D | sing | 1.43Å | 1.44Å | |
| S1 | C1D | sing | 1.81Å | 1.77Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| O2D | C2D | sing | 1.43Å | 1.44Å | |
| C1D | C2D | sing | 1.55Å | 1.51Å | |
| C1D | O4D | sing | 1.45Å | 1.42Å | |
| C2D | C3D | sing | 1.55Å | 1.52Å | |
| O4D | C4D | sing | 1.44Å | 1.44Å | |
| C3D | C4D | sing | 1.54Å | 1.51Å | |
| C3D | O3D | sing | 1.43Å | 1.41Å | |
| C4D | C5D | sing | 1.53Å | 1.52Å | |
| C5D | O5D | sing | 1.43Å | 1.43Å | |
| O5D | PN | sing | 1.61Å | 1.61Å | |
| O1A | PA | doub | 1.48Å | 1.50Å | |
| O2A | PA | sing | 1.61Å | 1.51Å | |
| PN | O3 | sing | 1.61Å | 1.62Å | |
| PN | O1N | doub | 1.48Å | 1.50Å | |
| PN | O2N | sing | 1.61Å | 1.49Å | |
| O3 | PA | sing | 1.61Å | 1.62Å | |
| PA | O5B | sing | 1.61Å | 1.61Å | |
| O5B | C5B | sing | 1.43Å | 1.42Å | |
| C5B | C4B | sing | 1.53Å | 1.52Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C4B | O4B | sing | 1.44Å | 1.43Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| O4B | C1B | sing | 1.44Å | 1.46Å | |
| C2B | C1B | sing | 1.55Å | 1.50Å | |
| C2B | O2B | sing | 1.43Å | 1.42Å | |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.37Å | Aromatic |
| C1B | N9A | sing | 1.47Å | 1.45Å | |
| N7A | C5A | sing | 1.35Å | 1.36Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.32Å | Aromatic |
| C5A | C4A | doub | 1.40Å | 1.39Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.38Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.35Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.37Å | |
| C6A | N1A | doub | 1.33Å | 1.34Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| O2N | H1 | sing | 0.97Å | 0.95Å | |
| C5B | H2 | sing | 1.09Å | 1.10Å | |
| C5B | H3 | sing | 1.09Å | 1.10Å | |
| C4B | H4 | sing | 1.09Å | 1.10Å | |
| C1B | H5 | sing | 1.09Å | 1.10Å | |
| C8A | H6 | sing | 1.08Å | 1.08Å | |
| N6A | H7 | sing | 0.97Å | 1.00Å | |
| N6A | H8 | sing | 0.97Å | 1.00Å | |
| C2A | H9 | sing | 1.08Å | 1.08Å | |
| C2B | H10 | sing | 1.09Å | 1.10Å | |
| O2B | H11 | sing | 0.97Å | 0.95Å | |
| C3B | H12 | sing | 1.09Å | 1.10Å | |
| O3B | H13 | sing | 0.97Å | 0.95Å | |
| O2A | H14 | sing | 0.97Å | 0.95Å | |
| C5D | H15 | sing | 1.09Å | 1.10Å | |
| C5D | H16 | sing | 1.09Å | 1.10Å | |
| C4D | H17 | sing | 1.09Å | 1.10Å | |
| C3D | H18 | sing | 1.09Å | 1.10Å | |
| O3D | H19 | sing | 0.97Å | 0.95Å | |
| C2D | H20 | sing | 1.09Å | 1.10Å | |
| C1D | H21 | sing | 1.09Å | 1.10Å | |
| S1 | H22 | sing | 1.35Å | 1.30Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C10 | H42 | sing | 1.09Å | 1.10Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C11 | H44 | sing | 1.09Å | 1.10Å | |
| C12 | H45 | sing | 1.09Å | 1.10Å | |
| C12 | H46 | sing | 1.09Å | 1.10Å | |
| C13 | H47 | sing | 1.09Å | 1.10Å | |
| C13 | H48 | sing | 1.09Å | 1.10Å | |
| C13 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 111.7° | 109.5° |
| C8 | C7 | C6 | 112.0° | 109.5° |
| C8 | C7 | H35 | 108.8° | 109.5° |
| C8 | C7 | H36 | 108.8° | 109.5° |
| C7 | C8 | H37 | 108.9° | 109.5° |
| C7 | C8 | H38 | 108.9° | 109.5° |
| C8 | C9 | C10 | 114.4° | 109.5° |
| C9 | C8 | H37 | 108.9° | 109.5° |
| C9 | C8 | H38 | 108.9° | 109.5° |
| C8 | C9 | H39 | 108.2° | 109.5° |
| C8 | C9 | H40 | 108.2° | 109.5° |
| C7 | C6 | C5 | 110.3° | 109.5° |
| C7 | C6 | H33 | 109.3° | 109.5° |
| C7 | C6 | H34 | 109.2° | 109.5° |
| C6 | C7 | H35 | 108.9° | 109.5° |
| C6 | C7 | H36 | 108.8° | 109.5° |
| C6 | C5 | C4 | 110.9° | 109.4° |
| C6 | C5 | H31 | 109.1° | 109.5° |
| C6 | C5 | H32 | 109.1° | 109.5° |
| C5 | C6 | H33 | 109.3° | 109.5° |
| C5 | C6 | H34 | 109.3° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.5° |
| C5 | C4 | H29 | 108.9° | 109.5° |
| C5 | C4 | H30 | 108.8° | 109.5° |
| C4 | C5 | H31 | 109.1° | 109.4° |
| C4 | C5 | H32 | 109.1° | 109.4° |
| C4 | C3 | C2 | 109.0° | 109.5° |
| C4 | C3 | H27 | 109.6° | 109.5° |
| C4 | C3 | H28 | 109.6° | 109.4° |
| C3 | C4 | H29 | 108.8° | 109.5° |
| C3 | C4 | H30 | 108.8° | 109.4° |
| C3 | C2 | C1 | 110.2° | 109.4° |
| C3 | C2 | H25 | 109.3° | 109.4° |
| C3 | C2 | H26 | 109.3° | 109.5° |
| C2 | C3 | H27 | 109.6° | 109.5° |
| C2 | C3 | H28 | 109.6° | 109.5° |
| C9 | C10 | C11 | 109.9° | 109.5° |
| C10 | C9 | H39 | 108.2° | 109.4° |
| C10 | C9 | H40 | 108.2° | 109.5° |
| C9 | C10 | H41 | 109.4° | 109.4° |
| C9 | C10 | H42 | 109.4° | 109.5° |
| C10 | C11 | C12 | 113.9° | 109.5° |
| C11 | C10 | H41 | 109.3° | 109.5° |
| C11 | C10 | H42 | 109.3° | 109.5° |
| C10 | C11 | H43 | 108.3° | 109.4° |
| C10 | C11 | H44 | 108.4° | 109.5° |
| C2 | C1 | O2D | 115.4° | 109.4° |
| C2 | C1 | H23 | 108.0° | 109.5° |
| C2 | C1 | H24 | 108.0° | 109.5° |
| C1 | C2 | H25 | 109.3° | 109.5° |
| C1 | C2 | H26 | 109.3° | 109.5° |
| C1 | O2D | C2D | 120.9° | 114.0° |
| O2D | C1 | H23 | 108.0° | 109.5° |
| O2D | C1 | H24 | 108.0° | 109.4° |
| S1 | C1D | C2D | 111.1° | 110.6° |
| S1 | C1D | O4D | 107.2° | 110.6° |
| S1 | C1D | H21 | 107.4° | 110.7° |
| C1D | S1 | H22 | 102.0° | 103.0° |
| C11 | C12 | C13 | 114.2° | 109.5° |
| C12 | C11 | H43 | 108.3° | 109.5° |
| C12 | C11 | H44 | 108.3° | 109.5° |
| C11 | C12 | H45 | 108.3° | 109.5° |
| C11 | C12 | H46 | 108.3° | 109.5° |
| C13 | C12 | H45 | 108.3° | 109.5° |
| C13 | C12 | H46 | 108.3° | 109.5° |
| C12 | C13 | H47 | 109.5° | 109.5° |
| C12 | C13 | H48 | 109.5° | 109.5° |
| C12 | C13 | H49 | 109.5° | 109.5° |
| O2D | C2D | C1D | 111.7° | 111.0° |
| O2D | C2D | C3D | 108.2° | 110.9° |
| O2D | C2D | H20 | 113.3° | 110.8° |
| C2D | C1D | O4D | 108.4° | 103.5° |
| C1D | C2D | C3D | 98.7° | 102.1° |
| C1D | C2D | H20 | 112.1° | 110.9° |
| C2D | C1D | H21 | 110.6° | 110.7° |
| C1D | O4D | C4D | 107.3° | 106.8° |
| O4D | C1D | H21 | 112.0° | 110.6° |
| C2D | C3D | C4D | 100.3° | 104.2° |
| C2D | C3D | O3D | 112.1° | 110.5° |
| C2D | C3D | H18 | 109.1° | 110.6° |
| C3D | C2D | H20 | 111.9° | 110.9° |
| O4D | C4D | C3D | 104.6° | 107.4° |
| O4D | C4D | C5D | 113.4° | 109.9° |
| O4D | C4D | H17 | 108.3° | 109.8° |
| C4D | C3D | O3D | 115.1° | 110.5° |
| C3D | C4D | C5D | 115.4° | 109.9° |
| C3D | C4D | H17 | 107.4° | 109.9° |
| C4D | C3D | H18 | 109.1° | 110.5° |
| O3D | C3D | H18 | 110.6° | 110.4° |
| C3D | O3D | H19 | 109.5° | 114.0° |
| C4D | C5D | O5D | 110.5° | 109.5° |
| C4D | C5D | H15 | 109.2° | 109.5° |
| C4D | C5D | H16 | 109.2° | 109.5° |
| C5D | C4D | H17 | 107.4° | 109.9° |
| C5D | O5D | PN | 120.2° | 123.0° |
| O5D | C5D | H15 | 109.2° | 109.5° |
| O5D | C5D | H16 | 109.2° | 109.5° |
| O5D | PN | O3 | 97.6° | 109.5° |
| O5D | PN | O1N | 112.0° | 109.5° |
| O5D | PN | O2N | 110.1° | 109.5° |
| O1A | PA | O2A | 122.0° | 109.5° |
| O1A | PA | O3 | 110.5° | 109.5° |
| O1A | PA | O5B | 104.7° | 109.4° |
| O2A | PA | O3 | 104.3° | 109.5° |
| O2A | PA | O5B | 110.8° | 109.5° |
| PA | O2A | H14 | 109.5° | 114.0° |
| O3 | PN | O1N | 106.9° | 109.5° |
| O3 | PN | O2N | 110.5° | 109.5° |
| PN | O3 | PA | 128.8° | 134.0° |
| O1N | PN | O2N | 117.7° | 109.5° |
| PN | O2N | H1 | 109.5° | 114.0° |
| O3 | PA | O5B | 103.1° | 109.4° |
| PA | O5B | C5B | 119.6° | 123.0° |
| O5B | C5B | C4B | 108.8° | 109.5° |
| O5B | C5B | H2 | 109.7° | 109.5° |
| O5B | C5B | H3 | 109.6° | 109.5° |
| C5B | C4B | C3B | 110.7° | 110.4° |
| C5B | C4B | O4B | 108.5° | 110.4° |
| C4B | C5B | H2 | 109.6° | 109.4° |
| C4B | C5B | H3 | 109.6° | 109.5° |
| C5B | C4B | H4 | 110.1° | 110.3° |
| C3B | C4B | O4B | 106.1° | 104.8° |
| C4B | C3B | C2B | 103.7° | 104.1° |
| C4B | C3B | O3B | 108.3° | 110.6° |
| C3B | C4B | H4 | 110.0° | 110.3° |
| C4B | C3B | H12 | 110.2° | 110.5° |
| C4B | O4B | C1B | 109.6° | 105.3° |
| O4B | C4B | H4 | 111.5° | 110.5° |
| C2B | C3B | O3B | 112.3° | 110.5° |
| C3B | C2B | C1B | 102.4° | 104.0° |
| C3B | C2B | O2B | 115.7° | 110.5° |
| C3B | C2B | H10 | 109.6° | 110.6° |
| C2B | C3B | H12 | 110.3° | 110.5° |
| O3B | C3B | H12 | 111.7° | 110.5° |
| C3B | O3B | H13 | 109.5° | 114.1° |
| O4B | C1B | C2B | 103.5° | 104.8° |
| O4B | C1B | N9A | 102.3° | 110.4° |
| O4B | C1B | H5 | 110.7° | 110.4° |
| C1B | C2B | O2B | 107.4° | 110.5° |
| C2B | C1B | N9A | 118.5° | 110.4° |
| C2B | C1B | H5 | 110.2° | 110.4° |
| C1B | C2B | H10 | 110.0° | 110.5° |
| O2B | C2B | H10 | 111.3° | 110.5° |
| C2B | O2B | H11 | 109.5° | 114.0° |
| N7A | C8A | N9A | 108.7° | 109.9° |
| C8A | N7A | C5A | 107.5° | 109.4° |
| N7A | C8A | H6 | 125.7° | 125.0° |
| C8A | N9A | C1B | 128.1° | 126.2° |
| C8A | N9A | C4A | 108.0° | 107.4° |
| N9A | C8A | H6 | 125.6° | 125.0° |
| C1B | N9A | C4A | 122.9° | 126.3° |
| N9A | C1B | H5 | 110.9° | 110.3° |
| N7A | C5A | C4A | 107.3° | 107.2° |
| N7A | C5A | C6A | 133.0° | 134.7° |
| N9A | C4A | C5A | 108.3° | 106.0° |
| N9A | C4A | N3A | 130.9° | 134.9° |
| C4A | C5A | C6A | 119.7° | 118.2° |
| C5A | C4A | N3A | 120.8° | 119.1° |
| C5A | C6A | N6A | 123.0° | 120.8° |
| C5A | C6A | N1A | 118.0° | 118.5° |
| C4A | N3A | C2A | 117.6° | 120.6° |
| N6A | C6A | N1A | 119.0° | 120.8° |
| C6A | N6A | H7 | 109.5° | 120.0° |
| C6A | N6A | H8 | 109.5° | 120.0° |
| C6A | N1A | C2A | 120.9° | 121.2° |
| N3A | C2A | N1A | 123.0° | 122.5° |
| N3A | C2A | H9 | 118.5° | 118.7° |
| N1A | C2A | H9 | 118.5° | 118.8° |
| H2 | C5B | H3 | 109.5° | 109.5° |
| H7 | N6A | H8 | 109.5° | 120.0° |
| H15 | C5D | H16 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.5° |
| H25 | C2 | H26 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H29 | C4 | H30 | 109.5° | 109.4° |
| H31 | C5 | H32 | 109.5° | 109.6° |
| H33 | C6 | H34 | 109.5° | 109.5° |
| H35 | C7 | H36 | 109.5° | 109.4° |
| H37 | C8 | H38 | 109.5° | 109.4° |
| H39 | C9 | H40 | 109.5° | 109.5° |
| H41 | C10 | H42 | 109.5° | 109.5° |
| H43 | C11 | H44 | 109.5° | 109.4° |
| H45 | C12 | H46 | 109.4° | 109.4° |
| H47 | C13 | H48 | 109.5° | 109.4° |
| H47 | C13 | H49 | 109.5° | 109.5° |
| H48 | C13 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H37 | 120.4° | 120.0° |
| C7 | C8 | C9 | H38 | 120.3° | 120.0° |
| C8 | C7 | C6 | H35 | 120.4° | 120.0° |
| C8 | C7 | C6 | H36 | 120.4° | 120.0° |
| C8 | C7 | C6 | C5 | 164.6° | 180.0° |
| C7 | C8 | C9 | C10 | 172.8° | 180.0° |
| C8 | C7 | C6 | H33 | 44.4° | 60.0° |
| C8 | C7 | C6 | H34 | 75.3° | 60.0° |
| C8 | C7 | H35 | H36 | 118.9° | 120.0° |
| C7 | C8 | H37 | H38 | 119.0° | 120.0° |
| C7 | C8 | C9 | H39 | 52.1° | 60.0° |
| C7 | C8 | C9 | H40 | 66.5° | 60.0° |
| C9 | C8 | C7 | C6 | 67.0° | 180.0° |
| C8 | C9 | C10 | H39 | 120.7° | 120.0° |
| C8 | C9 | C10 | H40 | 120.7° | 120.0° |
| C8 | C9 | C10 | C11 | 174.3° | 180.0° |
| C9 | C8 | C7 | H35 | 53.4° | 60.0° |
| C9 | C8 | C7 | H36 | 172.7° | 60.0° |
| C9 | C8 | H37 | H38 | 119.0° | 120.0° |
| C8 | C9 | H39 | H40 | 117.7° | 120.0° |
| C8 | C9 | C10 | H41 | 54.3° | 60.0° |
| C8 | C9 | C10 | H42 | 65.6° | 60.0° |
| C7 | C6 | C5 | H33 | 120.2° | 120.0° |
| C7 | C6 | C5 | H34 | 120.1° | 120.0° |
| C7 | C6 | C5 | C4 | 173.0° | 180.0° |
| C7 | C6 | C5 | H31 | 52.8° | 60.1° |
| C7 | C6 | C5 | H32 | 66.8° | 60.0° |
| C7 | C6 | H33 | H34 | 119.6° | 120.0° |
| C6 | C7 | H35 | H36 | 118.9° | 119.9° |
| C6 | C7 | C8 | H37 | 53.4° | 60.0° |
| C6 | C7 | C8 | H38 | 172.7° | 59.9° |
| C6 | C5 | C4 | H31 | 120.2° | 120.0° |
| C6 | C5 | C4 | H32 | 120.2° | 120.0° |
| C6 | C5 | C4 | C3 | 175.7° | 180.0° |
| C6 | C5 | C4 | H29 | 55.3° | 60.0° |
| C6 | C5 | C4 | H30 | 63.9° | 60.0° |
| C6 | C5 | H31 | H32 | 119.4° | 120.1° |
| C5 | C6 | H33 | H34 | 119.6° | 120.0° |
| C5 | C6 | C7 | H35 | 75.1° | 60.0° |
| C5 | C6 | C7 | H36 | 44.2° | 59.9° |
| C5 | C4 | C3 | H29 | 120.4° | 120.1° |
| C5 | C4 | C3 | H30 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 167.3° | 180.0° |
| C5 | C4 | C3 | H27 | 47.4° | 59.9° |
| C5 | C4 | C3 | H28 | 72.8° | 60.1° |
| C5 | C4 | H29 | H30 | 118.8° | 120.0° |
| C4 | C5 | H31 | H32 | 119.3° | 120.0° |
| C4 | C5 | C6 | H33 | 66.8° | 60.0° |
| C4 | C5 | C6 | H34 | 52.9° | 60.0° |
| C4 | C3 | C2 | H27 | 119.9° | 120.1° |
| C4 | C3 | C2 | H28 | 119.9° | 119.9° |
| C4 | C3 | C2 | C1 | 168.8° | 180.0° |
| C4 | C3 | C2 | H25 | 71.1° | 60.0° |
| C4 | C3 | C2 | H26 | 48.7° | 60.0° |
| C4 | C3 | H27 | H28 | 120.2° | 120.0° |
| C3 | C4 | H29 | H30 | 118.8° | 120.0° |
| C3 | C4 | C5 | H31 | 64.1° | 60.0° |
| C3 | C4 | C5 | H32 | 55.5° | 60.1° |
| C3 | C2 | C1 | H25 | 120.1° | 119.9° |
| C3 | C2 | C1 | H26 | 120.1° | 120.0° |
| C3 | C2 | C1 | O2D | 110.0° | 180.0° |
| C3 | C2 | C1 | H23 | 10.9° | 60.0° |
| C3 | C2 | C1 | H24 | 129.2° | 60.1° |
| C3 | C2 | H25 | H26 | 119.6° | 120.0° |
| C2 | C3 | H27 | H28 | 120.3° | 120.0° |
| C2 | C3 | C4 | H29 | 72.3° | 59.9° |
| C2 | C3 | C4 | H30 | 46.9° | 60.0° |
| C9 | C10 | C11 | H41 | 120.1° | 120.0° |
| C9 | C10 | C11 | H42 | 120.1° | 120.0° |
| C9 | C10 | C11 | C12 | 136.1° | 180.0° |
| C10 | C9 | C8 | H37 | 66.8° | 60.0° |
| C10 | C9 | C8 | H38 | 52.5° | 60.0° |
| C10 | C9 | H39 | H40 | 117.7° | 119.9° |
| C9 | C10 | H41 | H42 | 119.8° | 120.0° |
| C9 | C10 | C11 | H43 | 103.2° | 60.0° |
| C9 | C10 | C11 | H44 | 15.5° | 59.9° |
| C10 | C11 | C12 | H43 | 120.6° | 120.0° |
| C10 | C11 | C12 | H44 | 120.7° | 120.0° |
| C10 | C11 | C12 | C13 | 151.4° | 180.0° |
| C11 | C10 | C9 | H39 | 65.0° | 60.0° |
| C11 | C10 | C9 | H40 | 53.6° | 59.9° |
| C11 | C10 | H41 | H42 | 119.8° | 120.0° |
| C10 | C11 | H43 | H44 | 118.0° | 119.9° |
| C10 | C11 | C12 | H45 | 30.7° | 60.0° |
| C10 | C11 | C12 | H46 | 87.9° | 60.0° |
| C2 | C1 | O2D | H23 | 120.9° | 120.0° |
| C2 | C1 | O2D | H24 | 120.9° | 120.0° |
| C2 | C1 | O2D | C2D | 47.6° | 180.0° |
| C2 | C1 | H23 | H24 | 117.3° | 120.0° |
| C1 | C2 | H25 | H26 | 119.7° | 120.1° |
| C1 | C2 | C3 | H27 | 48.9° | 60.0° |
| C1 | C2 | C3 | H28 | 71.3° | 60.0° |
| C1 | O2D | C2D | C1D | 102.9° | 97.3° |
| C1 | O2D | C2D | C3D | 149.5° | 150.0° |
| C1 | O2D | C2D | H20 | 24.8° | 26.4° |
| O2D | C1 | H23 | H24 | 117.3° | 120.0° |
| O2D | C1 | C2 | H25 | 129.9° | 60.0° |
| O2D | C1 | C2 | H26 | 10.1° | 60.0° |
| S1 | C1D | C2D | O2D | 37.5° | 37.3° |
| S1 | C1D | C2D | O4D | 117.6° | 118.4° |
| S1 | C1D | C2D | H21 | 119.2° | 123.0° |
| S1 | C1D | O4D | H21 | 117.6° | 123.0° |
| S1 | C1D | C2D | C3D | 151.1° | 155.5° |
| S1 | C1D | O4D | C4D | 129.1° | 158.6° |
| S1 | C1D | C2D | H20 | 90.9° | 86.3° |
| C11 | C12 | C13 | H45 | 120.7° | 120.0° |
| C11 | C12 | C13 | H46 | 120.7° | 120.1° |
| C12 | C11 | C10 | H41 | 16.1° | 60.0° |
| C12 | C11 | C10 | H42 | 103.8° | 60.0° |
| C12 | C11 | H43 | H44 | 118.0° | 120.1° |
| C11 | C12 | H45 | H46 | 117.8° | 120.0° |
| C11 | C12 | C13 | H47 | 180.0° | 180.0° |
| C11 | C12 | C13 | H48 | 60.0° | 60.0° |
| C11 | C12 | C13 | H49 | 60.0° | 60.0° |
| C13 | C12 | C11 | H43 | 87.9° | 60.0° |
| C13 | C12 | C11 | H44 | 30.8° | 60.0° |
| C13 | C12 | H45 | H46 | 117.8° | 119.9° |
| C12 | C13 | H47 | H48 | 120.0° | 120.0° |
| C12 | C13 | H47 | H49 | 120.0° | 120.0° |
| C12 | C13 | H48 | H49 | 120.0° | 120.0° |
| O2D | C2D | C1D | C3D | 113.6° | 118.2° |
| O2D | C2D | C1D | H20 | 128.4° | 123.6° |
| O2D | C2D | C1D | O4D | 80.1° | 81.1° |
| O2D | C2D | C3D | H20 | 125.5° | 123.6° |
| O2D | C2D | C3D | C4D | 72.9° | 97.4° |
| O2D | C2D | C3D | O3D | 49.7° | 21.3° |
| O2D | C2D | C3D | H18 | 172.6° | 143.9° |
| O2D | C2D | C1D | H21 | 156.7° | 160.3° |
| C2D | O2D | C1 | H23 | 73.2° | 60.0° |
| C2D | O2D | C1 | H24 | 168.5° | 60.1° |
| C2D | C1D | O4D | H21 | 122.4° | 118.6° |
| C1D | C2D | C3D | H20 | 118.2° | 118.2° |
| C2D | C1D | O4D | C4D | 9.1° | 40.1° |
| C1D | C2D | C3D | C4D | 43.4° | 20.9° |
| C1D | C2D | C3D | O3D | 166.1° | 139.6° |
| C1D | C2D | C3D | H18 | 71.1° | 97.8° |
| C2D | C1D | S1 | H22 | 180.0° | 180.0° |
| O4D | C1D | C2D | C3D | 33.6° | 37.1° |
| C1D | O4D | C4D | C3D | 19.9° | 26.6° |
| C1D | O4D | C4D | C5D | 146.5° | 92.9° |
| C1D | O4D | C4D | H17 | 94.4° | 146.1° |
| O4D | C1D | C2D | H20 | 151.6° | 155.3° |
| O4D | C1D | S1 | H22 | 61.8° | 66.0° |
| C2D | C3D | C4D | O4D | 40.4° | 2.1° |
| C2D | C3D | C4D | O3D | 120.5° | 118.7° |
| C2D | C3D | C4D | H18 | 114.5° | 118.9° |
| C2D | C3D | O3D | H18 | 121.9° | 122.7° |
| C2D | C3D | C4D | C5D | 165.7° | 117.4° |
| C2D | C3D | C4D | H17 | 74.6° | 121.5° |
| C2D | C3D | O3D | H19 | 180.0° | 176.2° |
| C3D | C2D | C1D | H21 | 89.6° | 81.5° |
| O4D | C4D | C3D | C5D | 125.3° | 119.5° |
| O4D | C4D | C3D | H17 | 115.0° | 119.4° |
| O4D | C4D | C3D | O3D | 160.9° | 116.6° |
| O4D | C4D | C5D | H17 | 119.6° | 121.0° |
| O4D | C4D | C5D | O5D | 54.8° | 66.7° |
| O4D | C4D | C5D | H15 | 65.4° | 53.3° |
| O4D | C4D | C5D | H16 | 174.9° | 173.3° |
| O4D | C4D | C3D | H18 | 74.1° | 121.0° |
| C4D | O4D | C1D | H21 | 113.3° | 78.5° |
| C4D | C3D | O3D | H18 | 124.3° | 122.5° |
| C3D | C4D | C5D | H17 | 119.7° | 121.1° |
| C3D | C4D | C5D | O5D | 65.8° | 175.3° |
| C3D | C4D | C5D | H15 | 174.0° | 64.7° |
| C3D | C4D | C5D | H16 | 54.3° | 55.3° |
| C4D | C3D | O3D | H19 | 66.2° | 61.4° |
| C4D | C3D | C2D | H20 | 161.6° | 139.1° |
| O3D | C3D | C4D | C5D | 73.8° | 123.9° |
| O3D | C3D | C4D | H17 | 45.9° | 2.9° |
| O3D | C3D | C2D | H20 | 75.7° | 102.2° |
| C4D | C5D | O5D | H15 | 120.1° | 120.0° |
| C4D | C5D | O5D | H16 | 120.1° | 120.0° |
| C4D | C5D | O5D | PN | 144.0° | 180.0° |
| C4D | C5D | H15 | H16 | 119.6° | 120.0° |
| C5D | C4D | C3D | H18 | 51.2° | 1.5° |
| C5D | O5D | PN | O3 | 178.5° | 175.0° |
| C5D | O5D | PN | O1N | 66.8° | 55.0° |
| C5D | O5D | PN | O2N | 66.3° | 65.0° |
| O5D | C5D | H15 | H16 | 119.5° | 120.0° |
| O5D | C5D | C4D | H17 | 174.4° | 54.3° |
| O5D | PN | O3 | O1N | 115.8° | 120.0° |
| O5D | PN | O3 | O2N | 114.9° | 120.0° |
| O5D | PN | O1N | O2N | 129.2° | 120.0° |
| O5D | PN | O3 | PA | 84.0° | 160.0° |
| O5D | PN | O2N | H1 | 130.1° | 60.0° |
| PN | O5D | C5D | H15 | 95.8° | 60.1° |
| PN | O5D | C5D | H16 | 23.9° | 60.0° |
| O1A | PA | O2A | O3 | 125.9° | 120.0° |
| O1A | PA | O2A | O5B | 123.9° | 120.0° |
| O1A | PA | O3 | PN | 31.2° | 45.0° |
| O1A | PA | O3 | O5B | 111.4° | 120.0° |
| O1A | PA | O5B | C5B | 174.8° | 55.1° |
| O1A | PA | O2A | H14 | 0.0° | 180.0° |
| O2A | PA | O3 | PN | 164.0° | 75.0° |
| O2A | PA | O3 | O5B | 115.8° | 120.0° |
| O2A | PA | O5B | C5B | 41.5° | 65.0° |
| O3 | PN | O1N | O2N | 125.0° | 120.0° |
| PN | O3 | PA | O5B | 80.2° | 165.0° |
| O3 | PN | O2N | H1 | 123.2° | 60.1° |
| O1N | PN | O3 | PA | 160.2° | 40.0° |
| O1N | PN | O2N | H1 | 0.0° | 180.0° |
| O2N | PN | O3 | PA | 30.9° | 80.0° |
| O3 | PA | O5B | C5B | 69.5° | 175.0° |
| O3 | PA | O2A | H14 | 125.8° | 59.9° |
| PA | O5B | C5B | C4B | 176.0° | 179.9° |
| PA | O5B | C5B | H2 | 64.1° | 60.0° |
| PA | O5B | C5B | H3 | 56.1° | 60.0° |
| O5B | PA | O2A | H14 | 123.9° | 60.0° |
| O5B | C5B | C4B | H2 | 119.9° | 120.0° |
| O5B | C5B | C4B | H3 | 119.9° | 120.0° |
| O5B | C5B | C4B | C3B | 68.3° | 175.0° |
| O5B | C5B | C4B | O4B | 175.7° | 69.6° |
| O5B | C5B | H2 | H3 | 120.3° | 120.0° |
| O5B | C5B | C4B | H4 | 53.5° | 52.8° |
| C5B | C4B | C3B | O4B | 117.4° | 118.9° |
| C5B | C4B | C3B | H4 | 121.9° | 122.2° |
| C5B | C4B | O4B | H4 | 121.4° | 122.3° |
| C5B | C4B | C3B | C2B | 101.5° | 142.9° |
| C5B | C4B | C3B | O3B | 139.0° | 98.5° |
| C5B | C4B | O4B | C1B | 127.0° | 159.4° |
| C4B | C5B | H2 | H3 | 120.3° | 120.0° |
| C5B | C4B | C3B | H12 | 16.5° | 24.2° |
| C3B | C4B | O4B | H4 | 119.7° | 118.8° |
| C4B | C3B | C2B | O3B | 116.7° | 118.7° |
| C4B | C3B | C2B | H12 | 118.0° | 118.7° |
| C4B | C3B | O3B | H12 | 121.6° | 122.7° |
| C3B | C4B | O4B | C1B | 8.1° | 40.5° |
| C4B | C3B | C2B | C1B | 33.1° | 0.0° |
| C4B | C3B | C2B | O2B | 149.5° | 118.6° |
| C3B | C4B | C5B | H2 | 171.8° | 65.0° |
| C3B | C4B | C5B | H3 | 51.6° | 54.9° |
| C4B | C3B | C2B | H10 | 83.7° | 118.6° |
| C4B | C3B | O3B | H13 | 180.0° | 180.0° |
| O4B | C4B | C3B | C2B | 16.0° | 23.9° |
| O4B | C4B | C3B | O3B | 103.5° | 142.6° |
| C4B | O4B | C1B | C2B | 29.4° | 40.5° |
| C4B | O4B | C1B | N9A | 153.2° | 159.4° |
| O4B | C4B | C5B | H2 | 55.8° | 50.4° |
| O4B | C4B | C5B | H3 | 64.4° | 170.4° |
| C4B | O4B | C1B | H5 | 88.6° | 78.5° |
| O4B | C4B | C3B | H12 | 134.0° | 94.7° |
| C2B | C3B | O3B | H12 | 124.5° | 122.6° |
| C3B | C2B | C1B | O4B | 38.1° | 24.0° |
| C3B | C2B | C1B | O2B | 122.3° | 118.6° |
| C3B | C2B | C1B | H10 | 116.5° | 118.7° |
| C3B | C2B | O2B | H10 | 126.0° | 122.8° |
| C3B | C2B | C1B | N9A | 150.4° | 142.8° |
| C2B | C3B | C4B | H4 | 136.6° | 95.0° |
| C3B | C2B | C1B | H5 | 80.4° | 94.9° |
| C3B | C2B | O2B | H11 | 180.0° | 65.4° |
| C2B | C3B | O3B | H13 | 66.1° | 65.2° |
| O3B | C3B | C2B | C1B | 83.7° | 118.7° |
| O3B | C3B | C2B | O2B | 32.8° | 0.1° |
| O3B | C3B | C4B | H4 | 17.1° | 23.7° |
| O3B | C3B | C2B | H10 | 159.6° | 122.7° |
| O4B | C1B | C2B | N9A | 112.4° | 118.9° |
| O4B | C1B | C2B | H5 | 118.4° | 118.9° |
| O4B | C1B | C2B | O2B | 160.4° | 142.6° |
| O4B | C1B | N9A | C8A | 65.3° | 23.9° |
| O4B | C1B | N9A | H5 | 118.1° | 122.2° |
| O4B | C1B | N9A | C4A | 102.1° | 156.5° |
| C1B | O4B | C4B | H4 | 111.6° | 78.4° |
| O4B | C1B | C2B | H10 | 78.4° | 94.8° |
| C1B | C2B | O2B | H10 | 120.4° | 122.6° |
| C2B | C1B | N9A | C8A | 47.7° | 91.5° |
| C2B | C1B | N9A | H5 | 128.9° | 122.3° |
| C2B | C1B | N9A | C4A | 144.9° | 88.1° |
| C1B | C2B | O2B | H11 | 66.4° | 179.9° |
| C1B | C2B | C3B | H12 | 151.0° | 118.7° |
| O2B | C2B | C1B | N9A | 87.2° | 98.5° |
| O2B | C2B | C1B | H5 | 41.9° | 23.7° |
| O2B | C2B | C3B | H12 | 92.5° | 122.7° |
| N7A | C8A | N9A | H6 | 180.0° | 179.9° |
| N7A | C8A | N9A | C1B | 173.2° | 180.0° |
| N7A | C8A | N9A | C4A | 4.3° | 0.3° |
| C8A | N7A | C5A | C4A | 2.4° | 0.2° |
| C8A | N7A | C5A | C6A | 178.2° | 180.0° |
| C8A | N9A | C1B | C4A | 167.4° | 179.6° |
| N9A | C8A | N7A | C5A | 4.1° | 0.1° |
| C8A | N9A | C4A | C5A | 2.7° | 0.4° |
| C8A | N9A | C4A | N3A | 178.1° | 179.4° |
| C8A | N9A | C1B | H5 | 176.6° | 146.2° |
| C1B | N9A | C4A | C5A | 172.3° | 179.9° |
| C1B | N9A | C4A | N3A | 8.5° | 0.9° |
| C1B | N9A | C8A | H6 | 6.8° | 0.1° |
| N9A | C1B | C2B | H10 | 34.0° | 24.1° |
| N7A | C5A | C4A | N9A | 0.2° | 0.4° |
| N7A | C5A | C4A | C6A | 179.5° | 179.9° |
| N7A | C5A | C4A | N3A | 179.5° | 179.6° |
| N7A | C5A | C6A | N6A | 0.5° | 0.2° |
| N7A | C5A | C6A | N1A | 179.9° | 179.9° |
| C5A | N7A | C8A | H6 | 175.9° | 180.0° |
| N9A | C4A | C5A | N3A | 179.3° | 179.2° |
| N9A | C4A | C5A | C6A | 179.3° | 179.7° |
| N9A | C4A | N3A | C2A | 179.6° | 179.5° |
| C4A | N9A | C1B | H5 | 16.0° | 34.2° |
| C4A | N9A | C8A | H6 | 175.7° | 179.8° |
| C4A | C5A | C6A | N6A | 179.9° | 179.7° |
| C4A | C5A | C6A | N1A | 0.7° | 0.2° |
| C5A | C4A | N3A | C2A | 0.4° | 0.6° |
| C6A | C5A | C4A | N3A | 0.0° | 0.5° |
| C5A | C6A | N6A | N1A | 179.4° | 179.9° |
| C5A | C6A | N1A | C2A | 1.0° | 0.0° |
| C5A | C6A | N6A | H7 | 179.4° | 0.1° |
| C5A | C6A | N6A | H8 | 59.4° | 180.0° |
| C4A | N3A | C2A | N1A | 0.2° | 0.3° |
| C4A | N3A | C2A | H9 | 179.8° | 179.7° |
| N6A | C6A | N1A | C2A | 179.6° | 179.9° |
| C6A | N6A | H7 | H8 | 120.0° | 179.9° |
| C6A | N1A | C2A | N3A | 0.5° | 0.0° |
| N1A | C6A | N6A | H7 | 0.0° | 180.0° |
| N1A | C6A | N6A | H8 | 120.0° | 0.1° |
| C6A | N1A | C2A | H9 | 179.5° | 180.0° |
| N3A | C2A | N1A | H9 | 180.0° | 180.0° |
| H2 | C5B | C4B | H4 | 66.4° | 172.8° |
| H3 | C5B | C4B | H4 | 173.4° | 67.3° |
| H4 | C4B | C3B | H12 | 105.4° | 146.4° |
| H5 | C1B | C2B | H10 | 163.2° | 146.3° |
| H10 | C2B | O2B | H11 | 54.1° | 57.5° |
| H10 | C2B | C3B | H12 | 34.3° | 0.1° |
| H12 | C3B | O3B | H13 | 58.4° | 57.4° |
| H15 | C5D | C4D | H17 | 54.3° | 174.3° |
| H16 | C5D | C4D | H17 | 65.5° | 65.7° |
| H17 | C4D | C3D | H18 | 171.0° | 119.6° |
| H18 | C3D | O3D | H19 | 58.1° | 61.1° |
| H18 | C3D | C2D | H20 | 47.1° | 20.4° |
| H20 | C2D | C1D | H21 | 28.4° | 36.7° |
| H21 | C1D | S1 | H22 | 58.8° | 57.0° |
| H23 | C1 | C2 | H25 | 109.2° | 180.0° |
| H23 | C1 | C2 | H26 | 131.0° | 60.0° |
| H24 | C1 | C2 | H25 | 9.1° | 59.9° |
| H24 | C1 | C2 | H26 | 110.7° | 180.0° |
| H25 | C2 | C3 | H27 | 169.0° | 179.9° |
| H25 | C2 | C3 | H28 | 48.8° | 59.9° |
| H26 | C2 | C3 | H27 | 71.2° | 60.0° |
| H26 | C2 | C3 | H28 | 168.6° | 180.0° |
| H27 | C3 | C4 | H29 | 167.8° | 180.0° |
| H27 | C3 | C4 | H30 | 73.0° | 60.1° |
| H28 | C3 | C4 | H29 | 47.6° | 60.0° |
| H28 | C3 | C4 | H30 | 166.8° | 180.0° |
| H29 | C4 | C5 | H31 | 175.5° | 179.9° |
| H29 | C4 | C5 | H32 | 64.9° | 60.0° |
| H30 | C4 | C5 | H31 | 56.3° | 60.0° |
| H30 | C4 | C5 | H32 | 175.9° | 180.0° |
| H31 | C5 | C6 | H33 | 173.0° | 180.0° |
| H31 | C5 | C6 | H34 | 67.3° | 59.9° |
| H32 | C5 | C6 | H33 | 53.4° | 59.9° |
| H32 | C5 | C6 | H34 | 173.1° | 180.0° |
| H33 | C6 | C7 | H35 | 164.8° | 179.9° |
| H33 | C6 | C7 | H36 | 75.9° | 60.0° |
| H34 | C6 | C7 | H35 | 45.1° | 60.1° |
| H34 | C6 | C7 | H36 | 164.4° | 180.0° |
| H35 | C7 | C8 | H37 | 173.8° | 180.0° |
| H35 | C7 | C8 | H38 | 66.9° | 60.1° |
| H36 | C7 | C8 | H37 | 67.0° | 60.0° |
| H36 | C7 | C8 | H38 | 52.4° | 180.0° |
| H37 | C8 | C9 | H39 | 172.4° | 179.9° |
| H37 | C8 | C9 | H40 | 53.9° | 60.0° |
| H38 | C8 | C9 | H39 | 68.2° | 60.0° |
| H38 | C8 | C9 | H40 | 173.2° | 180.0° |
| H39 | C9 | C10 | H41 | 175.0° | 180.0° |
| H39 | C9 | C10 | H42 | 55.1° | 60.0° |
| H40 | C9 | C10 | H41 | 66.5° | 60.0° |
| H40 | C9 | C10 | H42 | 173.7° | 180.0° |
| H41 | C10 | C11 | H43 | 136.7° | 179.9° |
| H41 | C10 | C11 | H44 | 104.6° | 60.0° |
| H42 | C10 | C11 | H43 | 16.9° | 60.0° |
| H42 | C10 | C11 | H44 | 135.6° | 180.0° |
| H43 | C11 | C12 | H45 | 151.4° | 180.0° |
| H43 | C11 | C12 | H46 | 32.8° | 60.0° |
| H44 | C11 | C12 | H45 | 89.9° | 60.0° |
| H44 | C11 | C12 | H46 | 151.5° | 180.0° |
| H45 | C12 | C13 | H47 | 59.3° | 60.0° |
| H45 | C12 | C13 | H48 | 179.3° | 179.9° |
| H45 | C12 | C13 | H49 | 60.7° | 60.1° |
| H46 | C12 | C13 | H47 | 59.3° | 59.9° |
| H46 | C12 | C13 | H48 | 60.7° | 60.0° |
| H46 | C12 | C13 | H49 | 179.3° | 180.0° |
| H47 | C13 | H48 | H49 | 120.0° | 120.0° |
