3CD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1A | PA | sing | 1.61Å | 1.51Å | |
| PA | O2A | doub | 1.48Å | 1.50Å | |
| PA | O3 | sing | 1.61Å | 1.61Å | |
| PA | O5B | sing | 1.61Å | 1.61Å | |
| O3 | PN | sing | 1.61Å | 1.62Å | |
| PN | O1N | doub | 1.48Å | 1.51Å | |
| PN | O2N | sing | 1.61Å | 1.52Å | |
| PN | O5D | sing | 1.61Å | 1.61Å | |
| O5D | C5D | sing | 1.43Å | 1.43Å | |
| C5D | C4D | sing | 1.53Å | 1.53Å | |
| C4D | C3D | sing | 1.55Å | 1.53Å | |
| C4D | O4D | sing | 1.44Å | 1.43Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| C3D | C2D | sing | 1.54Å | 1.52Å | |
| C2D | O2D | sing | 1.43Å | 1.43Å | |
| C2D | C1D | sing | 1.55Å | 1.52Å | |
| O4D | C1D | sing | 1.44Å | 1.43Å | |
| C1D | N1N | sing | 1.46Å | 1.47Å | |
| N1N | C6N | sing | 1.32Å | 1.34Å | Aromatic |
| N1N | C2N | doub | 1.32Å | 1.35Å | Aromatic |
| C6N | C5N | doub | 1.38Å | 1.39Å | Aromatic |
| C5N | C4N | sing | 1.38Å | 1.38Å | Aromatic |
| C4N | C3N | doub | 1.40Å | 1.39Å | Aromatic |
| C2N | C3N | sing | 1.40Å | 1.41Å | Aromatic |
| C3N | C7N | sing | 1.47Å | 1.51Å | |
| C7N | O7N | doub | 1.21Å | 1.23Å | |
| C7N | C8N | sing | 1.51Å | 1.34Å | |
| C8N | CL1 | sing | 1.80Å | 1.68Å | |
| C8N | H89 | sing | 1.09Å | 1.10Å | |
| O5B | C5B | sing | 1.43Å | 1.43Å | |
| C5B | C4B | sing | 1.53Å | 1.52Å | |
| C4B | C3B | sing | 1.54Å | 1.52Å | |
| C4B | O4B | sing | 1.44Å | 1.43Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | C2B | sing | 1.55Å | 1.52Å | |
| C2B | O2B | sing | 1.43Å | 1.43Å | |
| C2B | C1B | sing | 1.54Å | 1.52Å | |
| C1B | O4B | sing | 1.44Å | 1.43Å | |
| C1B | N9A | sing | 1.47Å | 1.48Å | |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.34Å | Aromatic |
| C4A | C5A | sing | 1.41Å | 1.39Å | Aromatic |
| C4A | N3A | doub | 1.33Å | 1.36Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.35Å | Aromatic |
| C5A | C6A | doub | 1.41Å | 1.39Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.35Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.34Å | Aromatic |
| C2A | N1A | doub | 1.32Å | 1.35Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.36Å | Aromatic |
| O1A | H1A | sing | 0.97Å | 0.95Å | |
| O2N | H2N | sing | 0.97Å | 0.95Å | |
| C5D | H5D1 | sing | 1.09Å | 1.10Å | |
| C5D | H5D2 | sing | 1.09Å | 1.10Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | HA | sing | 0.97Å | 0.95Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HB | sing | 0.97Å | 0.95Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| C6N | H6N | sing | 1.08Å | 1.08Å | |
| C2N | HC | sing | 1.08Å | 1.08Å | |
| C5N | H5N | sing | 1.08Å | 1.08Å | |
| C4N | H4N | sing | 1.08Å | 1.08Å | |
| C8N | H8N | sing | 1.09Å | 1.10Å | |
| C5B | H5B1 | sing | 1.09Å | 1.10Å | |
| C5B | H5B2 | sing | 1.09Å | 1.10Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HD | sing | 0.97Å | 0.95Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HE | sing | 0.97Å | 0.95Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C6A | N6A | sing | 1.38Å | 1.36Å | |
| N6A | H66 | sing | 0.97Å | 1.00Å | |
| N6A | H67 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 119.1° | 109.5° |
| O1A | PA | O3 | 108.0° | 109.5° |
| O1A | PA | O5B | 108.4° | 109.5° |
| PA | O1A | H1A | 109.5° | 113.9° |
| O2A | PA | O3 | 108.1° | 109.5° |
| O2A | PA | O5B | 106.6° | 109.4° |
| O3 | PA | O5B | 106.0° | 109.5° |
| PA | O3 | PN | 125.2° | 134.0° |
| PA | O5B | C5B | 121.1° | 123.0° |
| O3 | PN | O1N | 106.3° | 109.5° |
| O3 | PN | O2N | 108.5° | 109.5° |
| O3 | PN | O5D | 104.6° | 109.4° |
| O1N | PN | O2N | 120.2° | 109.5° |
| O1N | PN | O5D | 106.5° | 109.5° |
| O2N | PN | O5D | 109.7° | 109.4° |
| PN | O2N | H2N | 109.5° | 114.0° |
| PN | O5D | C5D | 122.2° | 123.0° |
| O5D | C5D | C4D | 112.8° | 109.5° |
| O5D | C5D | H5D1 | 108.4° | 109.5° |
| O5D | C5D | H5D2 | 107.6° | 109.5° |
| C5D | C4D | C3D | 114.9° | 110.4° |
| C5D | C4D | O4D | 112.1° | 110.4° |
| C4D | C5D | H5D1 | 108.4° | 109.5° |
| C4D | C5D | H5D2 | 107.6° | 109.5° |
| C5D | C4D | H4D | 102.7° | 110.4° |
| C3D | C4D | O4D | 105.9° | 104.7° |
| C4D | C3D | O3D | 109.5° | 110.5° |
| C4D | C3D | C2D | 105.6° | 104.1° |
| C3D | C4D | H4D | 109.3° | 110.4° |
| C4D | C3D | H3D | 111.6° | 110.5° |
| C4D | O4D | C1D | 103.8° | 105.3° |
| O4D | C4D | H4D | 112.2° | 110.4° |
| O3D | C3D | C2D | 108.4° | 110.5° |
| O3D | C3D | H3D | 108.9° | 110.4° |
| C3D | O3D | HA | 109.5° | 114.0° |
| C3D | C2D | O2D | 111.1° | 110.5° |
| C3D | C2D | C1D | 99.7° | 104.1° |
| C2D | C3D | H3D | 112.7° | 110.7° |
| C3D | C2D | H2D | 115.0° | 110.5° |
| O2D | C2D | C1D | 110.7° | 110.5° |
| O2D | C2D | H2D | 105.0° | 110.4° |
| C2D | O2D | HB | 109.5° | 114.0° |
| C2D | C1D | O4D | 104.9° | 104.8° |
| C2D | C1D | N1N | 116.9° | 110.4° |
| C1D | C2D | H2D | 115.5° | 110.6° |
| C2D | C1D | H1D | 110.7° | 110.3° |
| O4D | C1D | N1N | 116.9° | 110.4° |
| O4D | C1D | H1D | 110.7° | 110.4° |
| C1D | N1N | C6N | 113.1° | 119.0° |
| C1D | N1N | C2N | 125.9° | 119.0° |
| N1N | C1D | H1D | 96.7° | 110.5° |
| C6N | N1N | C2N | 121.0° | 121.9° |
| N1N | C6N | C5N | 122.3° | 121.1° |
| N1N | C6N | H6N | 118.8° | 119.5° |
| N1N | C2N | C3N | 118.9° | 120.5° |
| N1N | C2N | HC | 120.5° | 119.7° |
| C6N | C5N | C4N | 117.7° | 119.3° |
| C5N | C6N | H6N | 118.9° | 119.4° |
| C6N | C5N | H5N | 121.2° | 120.4° |
| C5N | C4N | C3N | 120.4° | 118.2° |
| C4N | C5N | H5N | 121.1° | 120.3° |
| C5N | C4N | H4N | 119.8° | 120.9° |
| C4N | C3N | C2N | 119.6° | 118.8° |
| C4N | C3N | C7N | 117.6° | 120.6° |
| C3N | C4N | H4N | 119.8° | 120.9° |
| C2N | C3N | C7N | 122.8° | 120.6° |
| C3N | C2N | HC | 120.5° | 119.7° |
| C3N | C7N | O7N | 120.1° | 120.0° |
| C3N | C7N | C8N | 120.4° | 120.0° |
| O7N | C7N | C8N | 119.5° | 120.0° |
| C7N | C8N | CL1 | 124.2° | 109.5° |
| C7N | C8N | H89 | 104.8° | 109.4° |
| C7N | C8N | H8N | 101.4° | 109.4° |
| CL1 | C8N | H89 | 104.8° | 109.5° |
| CL1 | C8N | H8N | 101.4° | 109.5° |
| H89 | C8N | H8N | 121.9° | 109.5° |
| O5B | C5B | C4B | 110.6° | 109.5° |
| O5B | C5B | H5B1 | 109.1° | 109.4° |
| O5B | C5B | H5B2 | 108.9° | 109.5° |
| C5B | C4B | C3B | 111.0° | 110.3° |
| C5B | C4B | O4B | 109.7° | 110.4° |
| C4B | C5B | H5B1 | 109.1° | 109.5° |
| C4B | C5B | H5B2 | 108.9° | 109.5° |
| C5B | C4B | H4B | 107.6° | 110.3° |
| C3B | C4B | O4B | 107.4° | 104.8° |
| C4B | C3B | O3B | 110.5° | 110.5° |
| C4B | C3B | C2B | 105.7° | 104.1° |
| C3B | C4B | H4B | 109.9° | 110.4° |
| C4B | C3B | H3B | 112.5° | 110.6° |
| C4B | O4B | C1B | 110.9° | 105.3° |
| O4B | C4B | H4B | 111.2° | 110.4° |
| O3B | C3B | C2B | 112.8° | 110.5° |
| O3B | C3B | H3B | 105.4° | 110.5° |
| C3B | O3B | HD | 109.5° | 114.0° |
| C3B | C2B | O2B | 112.1° | 110.5° |
| C3B | C2B | C1B | 105.2° | 104.0° |
| C2B | C3B | H3B | 110.2° | 110.6° |
| C3B | C2B | H2B | 110.4° | 110.4° |
| O2B | C2B | C1B | 108.8° | 110.6° |
| O2B | C2B | H2B | 106.9° | 110.5° |
| C2B | O2B | HE | 109.5° | 114.1° |
| C2B | C1B | O4B | 108.4° | 104.8° |
| C2B | C1B | N9A | 109.9° | 110.3° |
| C1B | C2B | H2B | 113.6° | 110.6° |
| C2B | C1B | H1B | 110.8° | 110.4° |
| O4B | C1B | N9A | 111.9° | 110.4° |
| O4B | C1B | H1B | 108.7° | 110.4° |
| C1B | N9A | C4A | 124.9° | 126.3° |
| C1B | N9A | C8A | 126.6° | 126.3° |
| N9A | C1B | H1B | 107.2° | 110.4° |
| C4A | N9A | C8A | 108.4° | 107.4° |
| N9A | C4A | C5A | 107.4° | 106.0° |
| N9A | C4A | N3A | 132.7° | 135.0° |
| N9A | C8A | N7A | 109.0° | 110.0° |
| N9A | C8A | H8A | 125.5° | 125.0° |
| C5A | C4A | N3A | 119.9° | 119.0° |
| C4A | C5A | N7A | 107.6° | 107.2° |
| C4A | C5A | C6A | 119.0° | 118.2° |
| C4A | N3A | C2A | 120.1° | 120.7° |
| N7A | C5A | C6A | 133.4° | 134.6° |
| C5A | N7A | C8A | 107.5° | 109.4° |
| C5A | C6A | N1A | 118.9° | 118.4° |
| C5A | C6A | N6A | 120.3° | 120.8° |
| N7A | C8A | H8A | 125.5° | 125.0° |
| N3A | C2A | N1A | 121.0° | 122.5° |
| N3A | C2A | H2A | 119.5° | 118.8° |
| C2A | N1A | C6A | 121.1° | 121.2° |
| N1A | C2A | H2A | 119.5° | 118.7° |
| N1A | C6A | N6A | 120.7° | 120.8° |
| H5D1 | C5D | H5D2 | 112.1° | 109.4° |
| H5B1 | C5B | H5B2 | 110.3° | 109.5° |
| C6A | N6A | H66 | 109.5° | 120.0° |
| C6A | N6A | H67 | 109.5° | 120.0° |
| H66 | N6A | H67 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O3 | 123.6° | 120.0° |
| O1A | PA | O2A | O5B | 122.9° | 120.0° |
| O1A | PA | O3 | O5B | 116.0° | 120.0° |
| O1A | PA | O3 | PN | 110.1° | 75.0° |
| O1A | PA | O5B | C5B | 32.5° | 65.0° |
| O2A | PA | O3 | O5B | 114.0° | 120.0° |
| O2A | PA | O3 | PN | 119.8° | 45.0° |
| O2A | PA | O5B | C5B | 96.9° | 55.0° |
| O2A | PA | O1A | H1A | 125.7° | 180.0° |
| PA | O3 | PN | O1N | 172.3° | 45.0° |
| PA | O3 | PN | O2N | 57.2° | 75.0° |
| PA | O3 | PN | O5D | 59.8° | 165.1° |
| O3 | PA | O5B | C5B | 148.2° | 175.0° |
| O3 | PA | O1A | H1A | 110.6° | 60.0° |
| O5B | PA | O3 | PN | 5.9° | 165.0° |
| PA | O5B | C5B | C4B | 76.2° | 180.0° |
| O5B | PA | O1A | H1A | 3.8° | 60.0° |
| PA | O5B | C5B | H5B1 | 163.8° | 60.0° |
| PA | O5B | C5B | H5B2 | 43.4° | 60.1° |
| O3 | PN | O1N | O2N | 123.5° | 120.0° |
| O3 | PN | O1N | O5D | 111.1° | 120.0° |
| O3 | PN | O2N | O5D | 113.7° | 120.0° |
| O3 | PN | O5D | C5D | 135.8° | 175.0° |
| O3 | PN | O2N | H2N | 171.2° | 60.0° |
| O1N | PN | O2N | O5D | 123.9° | 120.0° |
| O1N | PN | O5D | C5D | 112.0° | 54.9° |
| O1N | PN | O2N | H2N | 48.8° | 180.0° |
| O2N | PN | O5D | C5D | 19.6° | 65.0° |
| PN | O5D | C5D | C4D | 106.4° | 180.0° |
| O5D | PN | O2N | H2N | 75.1° | 60.0° |
| PN | O5D | C5D | H5D1 | 133.6° | 60.0° |
| PN | O5D | C5D | H5D2 | 12.1° | 59.9° |
| O5D | C5D | C4D | H5D1 | 120.0° | 120.0° |
| O5D | C5D | C4D | H5D2 | 118.6° | 120.0° |
| O5D | C5D | C4D | C3D | 55.2° | 175.1° |
| O5D | C5D | C4D | O4D | 65.7° | 69.6° |
| O5D | C5D | H5D1 | H5D2 | 118.6° | 120.0° |
| O5D | C5D | C4D | H4D | 173.7° | 52.8° |
| C5D | C4D | C3D | O4D | 124.3° | 118.8° |
| C5D | C4D | C3D | H4D | 114.7° | 122.3° |
| C5D | C4D | O4D | H4D | 114.9° | 122.3° |
| C5D | C4D | C3D | O3D | 114.6° | 98.5° |
| C5D | C4D | C3D | C2D | 128.9° | 142.8° |
| C5D | C4D | O4D | C1D | 156.5° | 159.3° |
| C4D | C5D | H5D1 | H5D2 | 118.7° | 120.0° |
| C5D | C4D | C3D | H3D | 6.1° | 23.9° |
| C3D | C4D | O4D | H4D | 119.1° | 118.8° |
| C4D | C3D | O3D | C2D | 114.7° | 114.7° |
| C4D | C3D | O3D | H3D | 122.3° | 122.5° |
| C4D | C3D | C2D | H3D | 122.1° | 118.8° |
| C4D | C3D | C2D | O2D | 137.8° | 118.7° |
| C4D | C3D | C2D | C1D | 21.1° | 0.0° |
| C3D | C4D | O4D | C1D | 30.6° | 40.5° |
| C3D | C4D | C5D | H5D1 | 64.8° | 64.9° |
| C3D | C4D | C5D | H5D2 | 173.7° | 55.0° |
| C4D | C3D | O3D | HA | 44.8° | 180.0° |
| C4D | C3D | C2D | H2D | 103.1° | 118.8° |
| O4D | C4D | C3D | O3D | 121.2° | 142.6° |
| O4D | C4D | C3D | C2D | 4.7° | 24.0° |
| C4D | O4D | C1D | C2D | 45.7° | 40.5° |
| C4D | O4D | C1D | N1N | 177.0° | 159.3° |
| O4D | C4D | C5D | H5D1 | 174.3° | 50.4° |
| O4D | C4D | C5D | H5D2 | 52.8° | 170.4° |
| O4D | C4D | C3D | H3D | 118.1° | 94.9° |
| C4D | O4D | C1D | H1D | 73.7° | 78.3° |
| O3D | C3D | C2D | H3D | 120.7° | 122.6° |
| O3D | C3D | C2D | O2D | 20.6° | 0.0° |
| O3D | C3D | C2D | C1D | 96.2° | 118.7° |
| O3D | C3D | C4D | H4D | 0.1° | 23.8° |
| O3D | C3D | C2D | H2D | 139.6° | 122.6° |
| C3D | C2D | O2D | C1D | 109.8° | 114.7° |
| C3D | C2D | O2D | H2D | 125.0° | 122.6° |
| C3D | C2D | C1D | H2D | 123.9° | 118.7° |
| C3D | C2D | C1D | O4D | 40.9° | 24.0° |
| C3D | C2D | C1D | N1N | 172.2° | 142.8° |
| C2D | C3D | C4D | H4D | 116.4° | 94.9° |
| C2D | C3D | O3D | HA | 69.9° | 65.3° |
| C3D | C2D | O2D | HB | 76.9° | 61.4° |
| C3D | C2D | C1D | H1D | 78.5° | 94.8° |
| O2D | C2D | C1D | H2D | 119.0° | 122.6° |
| O2D | C2D | C1D | O4D | 158.0° | 142.6° |
| O2D | C2D | C1D | N1N | 70.7° | 98.5° |
| O2D | C2D | C3D | H3D | 100.1° | 122.6° |
| O2D | C2D | C1D | H1D | 38.6° | 23.8° |
| C2D | C1D | O4D | N1N | 131.3° | 118.8° |
| C2D | C1D | O4D | H1D | 119.4° | 118.8° |
| C2D | C1D | N1N | H1D | 117.3° | 122.3° |
| C2D | C1D | N1N | C6N | 133.3° | 80.0° |
| C2D | C1D | N1N | C2N | 45.6° | 99.7° |
| C1D | C2D | C3D | H3D | 143.2° | 118.7° |
| C1D | C2D | O2D | HB | 173.2° | 176.0° |
| O4D | C1D | N1N | H1D | 117.3° | 122.3° |
| O4D | C1D | N1N | C6N | 101.3° | 35.4° |
| O4D | C1D | N1N | C2N | 79.9° | 144.9° |
| C1D | O4D | C4D | H4D | 88.5° | 78.3° |
| O4D | C1D | C2D | H2D | 82.9° | 94.7° |
| C1D | N1N | C6N | C2N | 178.9° | 179.7° |
| C1D | N1N | C6N | C5N | 179.5° | 180.0° |
| C1D | N1N | C2N | C3N | 179.4° | 179.8° |
| N1N | C1D | C2D | H2D | 48.3° | 24.1° |
| C1D | N1N | C6N | H6N | 0.5° | 0.0° |
| C1D | N1N | C2N | HC | 0.6° | 0.1° |
| N1N | C6N | C5N | H6N | 180.0° | 180.0° |
| N1N | C6N | C5N | C4N | 0.1° | 0.0° |
| C6N | N1N | C2N | C3N | 0.6° | 0.5° |
| C6N | N1N | C1D | H1D | 16.0° | 157.7° |
| C6N | N1N | C2N | HC | 179.4° | 179.7° |
| N1N | C6N | C5N | H5N | 179.9° | 179.9° |
| C2N | N1N | C6N | C5N | 0.6° | 0.3° |
| N1N | C2N | C3N | C4N | 0.1° | 0.5° |
| N1N | C2N | C3N | HC | 180.0° | 179.8° |
| N1N | C2N | C3N | C7N | 179.9° | 179.8° |
| C2N | N1N | C1D | H1D | 162.8° | 22.6° |
| C2N | N1N | C6N | H6N | 179.4° | 179.7° |
| C6N | C5N | C4N | H5N | 180.0° | 179.9° |
| C6N | C5N | C4N | C3N | 0.9° | 0.0° |
| C6N | C5N | C4N | H4N | 179.2° | 180.0° |
| C5N | C4N | C3N | H4N | 180.0° | 180.0° |
| C5N | C4N | C3N | C2N | 0.9° | 0.2° |
| C5N | C4N | C3N | C7N | 179.2° | 180.0° |
| C4N | C5N | C6N | H6N | 179.9° | 180.0° |
| C4N | C3N | C2N | C7N | 179.9° | 179.7° |
| C4N | C3N | C7N | O7N | 149.3° | 180.0° |
| C4N | C3N | C7N | C8N | 30.7° | 0.1° |
| C4N | C3N | C2N | HC | 179.8° | 179.7° |
| C3N | C4N | C5N | H5N | 179.1° | 179.9° |
| C2N | C3N | C7N | O7N | 30.6° | 0.2° |
| C2N | C3N | C7N | C8N | 149.4° | 179.8° |
| C2N | C3N | C4N | H4N | 179.2° | 179.8° |
| C3N | C7N | O7N | C8N | 180.0° | 180.0° |
| C3N | C7N | C8N | CL1 | 1.9° | 180.0° |
| C3N | C7N | C8N | H89 | 118.1° | 60.0° |
| C7N | C3N | C2N | HC | 0.1° | 0.1° |
| C7N | C3N | C4N | H4N | 0.8° | 0.1° |
| C3N | C7N | C8N | H8N | 114.2° | 60.0° |
| O7N | C7N | C8N | CL1 | 178.1° | 0.0° |
| O7N | C7N | C8N | H89 | 61.9° | 120.0° |
| O7N | C7N | C8N | H8N | 65.8° | 120.0° |
| C7N | C8N | CL1 | H89 | 120.0° | 120.0° |
| C7N | C8N | CL1 | H8N | 112.3° | 120.0° |
| C7N | C8N | H89 | H8N | 113.9° | 120.0° |
| CL1 | C8N | H89 | H8N | 113.9° | 120.0° |
| O5B | C5B | C4B | H5B1 | 120.0° | 119.9° |
| O5B | C5B | C4B | H5B2 | 119.6° | 120.0° |
| O5B | C5B | C4B | C3B | 101.0° | 175.0° |
| O5B | C5B | C4B | O4B | 140.4° | 69.6° |
| O5B | C5B | H5B1 | H5B2 | 119.6° | 120.0° |
| O5B | C5B | C4B | H4B | 19.3° | 52.7° |
| C5B | C4B | C3B | O4B | 119.9° | 118.8° |
| C5B | C4B | C3B | H4B | 118.9° | 122.2° |
| C5B | C4B | O4B | H4B | 119.0° | 122.3° |
| C5B | C4B | C3B | O3B | 101.8° | 98.6° |
| C5B | C4B | C3B | C2B | 135.9° | 142.8° |
| C5B | C4B | O4B | C1B | 132.5° | 159.3° |
| C4B | C5B | H5B1 | H5B2 | 119.5° | 120.0° |
| C5B | C4B | C3B | H3B | 15.7° | 24.1° |
| C3B | C4B | O4B | H4B | 120.3° | 118.9° |
| C4B | C3B | O3B | C2B | 118.0° | 114.6° |
| C4B | C3B | O3B | H3B | 121.8° | 122.7° |
| C4B | C3B | C2B | H3B | 121.8° | 118.8° |
| C4B | C3B | C2B | O2B | 104.0° | 118.7° |
| C4B | C3B | C2B | C1B | 14.0° | 0.0° |
| C3B | C4B | O4B | C1B | 11.8° | 40.5° |
| C3B | C4B | C5B | H5B1 | 139.0° | 65.1° |
| C3B | C4B | C5B | H5B2 | 18.5° | 55.0° |
| C4B | C3B | O3B | HD | 176.9° | 180.0° |
| C4B | C3B | C2B | H2B | 137.0° | 118.8° |
| O4B | C4B | C3B | O3B | 138.3° | 142.6° |
| O4B | C4B | C3B | C2B | 16.0° | 24.0° |
| C4B | O4B | C1B | C2B | 2.6° | 40.5° |
| C4B | O4B | C1B | N9A | 124.0° | 159.3° |
| O4B | C4B | C5B | H5B1 | 20.4° | 50.3° |
| O4B | C4B | C5B | H5B2 | 100.1° | 170.4° |
| O4B | C4B | C3B | H3B | 104.3° | 94.8° |
| C4B | O4B | C1B | H1B | 117.9° | 78.3° |
| O3B | C3B | C2B | H3B | 117.4° | 122.6° |
| O3B | C3B | C2B | O2B | 16.7° | 0.0° |
| O3B | C3B | C2B | C1B | 134.8° | 118.7° |
| O3B | C3B | C4B | H4B | 17.2° | 23.7° |
| O3B | C3B | C2B | H2B | 102.3° | 122.6° |
| C3B | C2B | O2B | C1B | 115.9° | 114.6° |
| C3B | C2B | O2B | H2B | 121.0° | 122.6° |
| C3B | C2B | C1B | H2B | 120.8° | 118.6° |
| C3B | C2B | C1B | O4B | 7.5° | 24.0° |
| C3B | C2B | C1B | N9A | 115.1° | 142.8° |
| C2B | C3B | C4B | H4B | 105.1° | 94.9° |
| C2B | C3B | O3B | HD | 65.1° | 65.4° |
| C3B | C2B | O2B | HE | 91.6° | 61.4° |
| C3B | C2B | C1B | H1B | 126.7° | 94.9° |
| O2B | C2B | C1B | H2B | 118.9° | 122.7° |
| O2B | C2B | C1B | O4B | 112.8° | 142.6° |
| O2B | C2B | C1B | N9A | 124.6° | 98.5° |
| O2B | C2B | C3B | H3B | 134.2° | 122.6° |
| O2B | C2B | C1B | H1B | 6.4° | 23.8° |
| C2B | C1B | O4B | N9A | 121.3° | 118.8° |
| C2B | C1B | O4B | H1B | 120.5° | 118.9° |
| C2B | C1B | N9A | H1B | 120.4° | 122.3° |
| C2B | C1B | N9A | C4A | 138.2° | 85.0° |
| C2B | C1B | N9A | C8A | 41.3° | 95.4° |
| C1B | C2B | C3B | H3B | 107.8° | 118.7° |
| C1B | C2B | O2B | HE | 24.3° | 176.1° |
| O4B | C1B | N9A | H1B | 119.1° | 122.3° |
| O4B | C1B | N9A | C4A | 101.4° | 159.6° |
| O4B | C1B | N9A | C8A | 79.2° | 20.0° |
| C1B | O4B | C4B | H4B | 108.5° | 78.4° |
| O4B | C1B | C2B | H2B | 128.3° | 94.6° |
| C1B | N9A | C4A | C8A | 179.5° | 179.7° |
| C1B | N9A | C4A | C5A | 179.6° | 180.0° |
| C1B | N9A | C4A | N3A | 0.7° | 0.1° |
| C1B | N9A | C8A | N7A | 179.6° | 179.9° |
| N9A | C1B | C2B | H2B | 5.7° | 24.2° |
| C1B | N9A | C8A | H8A | 0.5° | 0.0° |
| N9A | C4A | C5A | N3A | 179.8° | 179.9° |
| N9A | C4A | C5A | N7A | 0.1° | 0.1° |
| N9A | C4A | C5A | C6A | 179.8° | 180.0° |
| C4A | N9A | C8A | N7A | 0.0° | 0.4° |
| N9A | C4A | N3A | C2A | 179.7° | 180.0° |
| C4A | N9A | C1B | H1B | 17.7° | 37.3° |
| C4A | N9A | C8A | H8A | 180.0° | 179.7° |
| C8A | N9A | C4A | C5A | 0.1° | 0.3° |
| C8A | N9A | C4A | N3A | 179.8° | 179.8° |
| N9A | C8A | N7A | C5A | 0.0° | 0.4° |
| N9A | C8A | N7A | H8A | 180.0° | 179.9° |
| C8A | N9A | C1B | H1B | 161.7° | 142.4° |
| C4A | C5A | N7A | C6A | 179.8° | 180.0° |
| C4A | C5A | N7A | C8A | 0.1° | 0.2° |
| C5A | C4A | N3A | C2A | 0.0° | 0.1° |
| C4A | C5A | C6A | N1A | 0.1° | 0.0° |
| C4A | C5A | C6A | N6A | 179.9° | 180.0° |
| N3A | C4A | C5A | N7A | 179.9° | 180.0° |
| N3A | C4A | C5A | C6A | 0.0° | 0.0° |
| C4A | N3A | C2A | N1A | 0.1° | 0.1° |
| C4A | N3A | C2A | H2A | 179.8° | 180.0° |
| N7A | C5A | C6A | N1A | 179.9° | 180.0° |
| C5A | N7A | C8A | H8A | 180.0° | 179.7° |
| N7A | C5A | C6A | N6A | 0.3° | 0.0° |
| C6A | C5A | N7A | C8A | 179.7° | 179.8° |
| C5A | C6A | N1A | C2A | 0.2° | 0.1° |
| C5A | C6A | N1A | N6A | 179.8° | 180.0° |
| C5A | C6A | N6A | H66 | 131.1° | 0.0° |
| C5A | C6A | N6A | H67 | 11.1° | 180.0° |
| N3A | C2A | N1A | H2A | 180.0° | 179.9° |
| N3A | C2A | N1A | C6A | 0.2° | 0.1° |
| C2A | N1A | C6A | N6A | 180.0° | 179.9° |
| C6A | N1A | C2A | H2A | 179.8° | 180.0° |
| N1A | C6A | N6A | H66 | 49.0° | 180.0° |
| N1A | C6A | N6A | H67 | 169.1° | 0.0° |
| H5D1 | C5D | C4D | H4D | 53.7° | 172.8° |
| H5D2 | C5D | C4D | H4D | 67.8° | 67.3° |
| H4D | C4D | C3D | H3D | 120.8° | 146.2° |
| H3D | C3D | O3D | HA | 167.1° | 57.5° |
| H3D | C3D | C2D | H2D | 19.0° | 0.0° |
| H2D | C2D | O2D | HB | 48.0° | 61.2° |
| H2D | C2D | C1D | H1D | 157.6° | 146.5° |
| H6N | C6N | C5N | H5N | 0.1° | 0.1° |
| H5N | C5N | C4N | H4N | 0.8° | 0.1° |
| H5B1 | C5B | C4B | H4B | 100.8° | 172.6° |
| H5B2 | C5B | C4B | H4B | 138.8° | 67.3° |
| H4B | C4B | C3B | H3B | 134.6° | 146.3° |
| H3B | C3B | O3B | HD | 55.1° | 57.3° |
| H3B | C3B | C2B | H2B | 15.2° | 0.0° |
| H2B | C2B | O2B | HE | 147.3° | 61.1° |
| H2B | C2B | C1B | H1B | 112.5° | 146.5° |
| C6A | N6A | H66 | H67 | 120.0° | 180.0° |
