NBD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O11 | doub | 1.48Å | 1.50Å | |
| PA | O12 | sing | 1.61Å | 1.51Å | |
| PA | O5B | sing | 1.61Å | 1.61Å | |
| PA | O3 | sing | 1.61Å | 1.59Å | |
| O12 | HOA2 | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.44Å | |
| C5B | C4B | sing | 1.53Å | 1.51Å | |
| C5B | H51A | sing | 1.09Å | 1.11Å | |
| C5B | H52A | sing | 1.09Å | 1.11Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C4B | C3B | sing | 1.54Å | 1.52Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| O4B | C1B | sing | 1.44Å | 1.43Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | H3B | sing | 1.09Å | 1.11Å | |
| O3B | HO3A | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.42Å | |
| C2B | C1B | sing | 1.55Å | 1.50Å | |
| C2B | H2B | sing | 1.09Å | 1.11Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.46Å | 1.44Å | |
| C1B | H1B | sing | 1.09Å | 1.11Å | |
| N9A | C8A | sing | 1.36Å | 1.36Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.35Å | 1.34Å | Aromatic |
| C5A | C6A | sing | 1.40Å | 1.42Å | Aromatic |
| C5A | C4A | doub | 1.40Å | 1.39Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.36Å | |
| C6A | N1A | doub | 1.33Å | 1.37Å | Aromatic |
| N6A | CB1 | sing | 1.47Å | 1.43Å | |
| N6A | H6A | sing | 0.97Å | 1.02Å | |
| N1A | C2A | sing | 1.32Å | 1.37Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.36Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.36Å | Aromatic |
| O3 | PN | sing | 1.61Å | 1.59Å | |
| PN | O13 | doub | 1.55Å | 1.51Å | |
| PN | O14 | sing | 1.55Å | 1.50Å | |
| PN | O5D | sing | 1.61Å | 1.60Å | |
| O5D | C5D | sing | 1.43Å | 1.43Å | |
| C5D | C4D | sing | 1.53Å | 1.52Å | |
| C5D | H51N | sing | 1.09Å | 1.12Å | |
| C5D | H52N | sing | 1.09Å | 1.12Å | |
| C4D | O4D | sing | 1.44Å | 1.44Å | |
| C4D | C3D | sing | 1.54Å | 1.52Å | |
| C4D | H4D | sing | 1.09Å | 1.11Å | |
| O4D | C1D | sing | 1.44Å | 1.44Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| C3D | C2D | sing | 1.55Å | 1.52Å | |
| C3D | H3D | sing | 1.09Å | 1.12Å | |
| O3D | HO3N | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.43Å | |
| C2D | C1D | sing | 1.54Å | 1.51Å | |
| C2D | H2D | sing | 1.09Å | 1.12Å | |
| O2D | HO2N | sing | 0.97Å | 0.95Å | |
| C1D | N1N | sing | 1.46Å | 1.49Å | |
| C1D | H1D | sing | 1.09Å | 1.11Å | |
| N1N | C2N | sing | 1.32Å | 1.42Å | Aromatic |
| N1N | C6N | doub | 1.32Å | 1.40Å | Aromatic |
| C2N | C3N | doub | 1.40Å | 1.40Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.10Å | |
| C3N | C7N | sing | 1.48Å | 1.53Å | |
| C3N | C4N | sing | 1.40Å | 1.39Å | Aromatic |
| C7N | O7N | doub | 1.22Å | 1.23Å | |
| C7N | N7N | sing | 1.35Å | 1.33Å | |
| N7N | H71N | sing | 0.97Å | 1.02Å | |
| N7N | H72N | sing | 0.97Å | 1.02Å | |
| C4N | C5N | doub | 1.38Å | 1.39Å | Aromatic |
| C4N | H4N | sing | 1.08Å | 1.10Å | |
| C5N | C6N | sing | 1.38Å | 1.39Å | Aromatic |
| C5N | H5N | sing | 1.08Å | 1.10Å | |
| C6N | H6N | sing | 1.08Å | 1.10Å | |
| CB1 | CB2 | sing | 1.51Å | 1.48Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.12Å | |
| CB2 | CB3 | doub | 1.38Å | 1.44Å | Aromatic |
| CB2 | CB7 | sing | 1.38Å | 1.44Å | Aromatic |
| CB3 | CB4 | sing | 1.38Å | 1.43Å | Aromatic |
| CB3 | HB3 | sing | 1.08Å | 1.10Å | |
| CB7 | CB6 | doub | 1.38Å | 1.43Å | Aromatic |
| CB7 | HB7 | sing | 1.08Å | 1.10Å | |
| CB4 | CB5 | doub | 1.38Å | 1.43Å | Aromatic |
| CB4 | HB4 | sing | 1.08Å | 1.10Å | |
| CB6 | CB5 | sing | 1.38Å | 1.43Å | Aromatic |
| CB6 | HB6 | sing | 1.08Å | 1.10Å | |
| CB5 | HB5 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | PA | O12 | 118.4° | 109.5° |
| O11 | PA | O5B | 110.2° | 109.5° |
| O11 | PA | O3 | 106.5° | 109.5° |
| O12 | PA | O5B | 107.5° | 109.5° |
| O12 | PA | O3 | 114.0° | 109.5° |
| PA | O12 | HOA2 | 118.4° | 106.8° |
| O5B | PA | O3 | 98.3° | 109.4° |
| PA | O5B | C5B | 122.3° | 106.8° |
| PA | O3 | PN | 134.6° | 106.8° |
| O5B | C5B | C4B | 107.1° | 109.5° |
| O5B | C5B | H51A | 113.1° | 109.4° |
| O5B | C5B | H52A | 113.1° | 109.4° |
| C4B | C5B | H51A | 113.1° | 109.5° |
| C4B | C5B | H52A | 113.1° | 109.5° |
| C5B | C4B | O4B | 110.0° | 109.9° |
| C5B | C4B | C3B | 111.4° | 109.9° |
| C5B | C4B | H4B | 107.3° | 109.9° |
| H51A | C5B | H52A | 97.3° | 109.5° |
| O4B | C4B | C3B | 107.8° | 107.4° |
| O4B | C4B | H4B | 110.9° | 109.9° |
| C4B | O4B | C1B | 106.6° | 107.0° |
| C3B | C4B | H4B | 109.5° | 109.9° |
| C4B | C3B | O3B | 110.3° | 110.8° |
| C4B | C3B | C2B | 103.9° | 104.0° |
| C4B | C3B | H3B | 114.0° | 110.5° |
| O4B | C1B | C2B | 106.1° | 103.5° |
| O4B | C1B | N9A | 110.3° | 110.6° |
| O4B | C1B | H1B | 115.0° | 110.6° |
| O3B | C3B | C2B | 113.4° | 110.5° |
| O3B | C3B | H3B | 104.6° | 110.4° |
| C3B | O3B | HO3A | 110.3° | 106.8° |
| C2B | C3B | H3B | 110.9° | 110.4° |
| C3B | C2B | O2B | 114.2° | 110.9° |
| C3B | C2B | C1B | 100.7° | 102.1° |
| C3B | C2B | H2B | 112.7° | 111.0° |
| O2B | C2B | C1B | 110.7° | 110.9° |
| O2B | C2B | H2B | 103.0° | 110.8° |
| C2B | O2B | HO2A | 114.2° | 106.9° |
| C1B | C2B | H2B | 116.1° | 110.9° |
| C2B | C1B | N9A | 118.6° | 110.8° |
| C2B | C1B | H1B | 105.9° | 110.6° |
| N9A | C1B | H1B | 101.3° | 110.5° |
| C1B | N9A | C8A | 128.5° | 126.3° |
| C1B | N9A | C4A | 124.6° | 126.3° |
| C8A | N9A | C4A | 106.8° | 107.4° |
| N9A | C8A | N7A | 110.8° | 110.0° |
| N9A | C8A | H8A | 124.9° | 125.0° |
| N9A | C4A | C5A | 107.3° | 106.0° |
| N9A | C4A | N3A | 130.9° | 134.9° |
| N7A | C8A | H8A | 124.3° | 125.0° |
| C8A | N7A | C5A | 106.3° | 109.4° |
| N7A | C5A | C6A | 133.3° | 134.7° |
| N7A | C5A | C4A | 108.9° | 107.1° |
| C6A | C5A | C4A | 117.8° | 118.2° |
| C5A | C6A | N6A | 126.8° | 120.8° |
| C5A | C6A | N1A | 117.4° | 118.4° |
| C5A | C4A | N3A | 121.9° | 119.1° |
| N6A | C6A | N1A | 115.7° | 120.8° |
| C6A | N6A | CB1 | 127.0° | 120.0° |
| C6A | N6A | H6A | 106.0° | 120.0° |
| C6A | N1A | C2A | 124.3° | 121.2° |
| CB1 | N6A | H6A | 106.1° | 120.0° |
| N6A | CB1 | CB2 | 116.5° | 109.5° |
| N6A | CB1 | HB11 | 109.7° | 109.4° |
| N6A | CB1 | HB12 | 109.7° | 109.4° |
| N1A | C2A | N3A | 117.8° | 122.5° |
| N1A | C2A | H2A | 121.2° | 118.8° |
| N3A | C2A | H2A | 120.9° | 118.8° |
| C2A | N3A | C4A | 120.7° | 120.6° |
| O3 | PN | O13 | 106.6° | 109.5° |
| O3 | PN | O14 | 107.2° | 109.5° |
| O3 | PN | O5D | 103.9° | 109.5° |
| O13 | PN | O14 | 121.5° | 109.5° |
| O13 | PN | O5D | 107.0° | 109.5° |
| O14 | PN | O5D | 109.2° | 109.4° |
| PN | O5D | C5D | 122.4° | 106.8° |
| O5D | C5D | C4D | 109.0° | 109.5° |
| O5D | C5D | H51N | 112.4° | 109.4° |
| O5D | C5D | H52N | 112.4° | 109.4° |
| C4D | C5D | H51N | 112.4° | 109.5° |
| C4D | C5D | H52N | 112.4° | 109.5° |
| C5D | C4D | O4D | 107.3° | 110.4° |
| C5D | C4D | C3D | 114.0° | 110.5° |
| C5D | C4D | H4D | 107.1° | 110.3° |
| H51N | C5D | H52N | 98.0° | 109.5° |
| O4D | C4D | C3D | 106.7° | 104.8° |
| O4D | C4D | H4D | 114.4° | 110.3° |
| C4D | O4D | C1D | 109.8° | 105.3° |
| C3D | C4D | H4D | 107.6° | 110.4° |
| C4D | C3D | O3D | 110.0° | 110.5° |
| C4D | C3D | C2D | 104.1° | 104.1° |
| C4D | C3D | H3D | 113.2° | 110.5° |
| O4D | C1D | C2D | 107.1° | 104.9° |
| O4D | C1D | N1N | 114.5° | 110.4° |
| O4D | C1D | H1D | 110.0° | 110.4° |
| O3D | C3D | C2D | 111.1° | 110.6° |
| O3D | C3D | H3D | 106.5° | 110.5° |
| C3D | O3D | HO3N | 110.0° | 106.8° |
| C2D | C3D | H3D | 112.2° | 110.5° |
| C3D | C2D | O2D | 110.8° | 110.5° |
| C3D | C2D | C1D | 102.7° | 104.0° |
| C3D | C2D | H2D | 113.2° | 110.5° |
| O2D | C2D | C1D | 110.0° | 110.8° |
| O2D | C2D | H2D | 106.3° | 110.4° |
| C2D | O2D | HO2N | 110.8° | 106.8° |
| C1D | C2D | H2D | 114.0° | 110.5° |
| C2D | C1D | N1N | 115.4° | 110.3° |
| C2D | C1D | H1D | 109.0° | 110.4° |
| N1N | C1D | H1D | 100.7° | 110.4° |
| C1D | N1N | C2N | 124.0° | 119.1° |
| C1D | N1N | C6N | 115.7° | 119.1° |
| C2N | N1N | C6N | 120.1° | 121.9° |
| N1N | C2N | C3N | 119.4° | 120.6° |
| N1N | C2N | H2N | 120.9° | 119.7° |
| N1N | C6N | C5N | 120.0° | 121.1° |
| N1N | C6N | H6N | 120.3° | 119.5° |
| C3N | C2N | H2N | 119.7° | 119.7° |
| C2N | C3N | C7N | 124.1° | 120.5° |
| C2N | C3N | C4N | 119.3° | 118.9° |
| C7N | C3N | C4N | 116.6° | 120.6° |
| C3N | C7N | O7N | 118.8° | 120.0° |
| C3N | C7N | N7N | 118.4° | 120.0° |
| C3N | C4N | C5N | 121.6° | 118.3° |
| C3N | C4N | H4N | 119.1° | 120.9° |
| O7N | C7N | N7N | 122.8° | 120.0° |
| C7N | N7N | H71N | 122.8° | 120.0° |
| C7N | N7N | H72N | 118.4° | 120.0° |
| H71N | N7N | H72N | 118.8° | 120.0° |
| C5N | C4N | H4N | 119.3° | 120.8° |
| C4N | C5N | C6N | 119.5° | 119.3° |
| C4N | C5N | H5N | 120.3° | 120.4° |
| C6N | C5N | H5N | 120.1° | 120.4° |
| C5N | C6N | H6N | 119.7° | 119.4° |
| CB2 | CB1 | HB11 | 109.7° | 109.5° |
| CB2 | CB1 | HB12 | 109.6° | 109.5° |
| CB1 | CB2 | CB3 | 122.1° | 120.0° |
| CB1 | CB2 | CB7 | 116.6° | 120.0° |
| HB11 | CB1 | HB12 | 100.5° | 109.5° |
| CB3 | CB2 | CB7 | 121.3° | 120.0° |
| CB2 | CB3 | CB4 | 119.5° | 120.0° |
| CB2 | CB3 | HB3 | 120.6° | 120.0° |
| CB2 | CB7 | CB6 | 119.6° | 120.0° |
| CB2 | CB7 | HB7 | 120.5° | 120.0° |
| CB4 | CB3 | HB3 | 119.9° | 120.0° |
| CB3 | CB4 | CB5 | 118.5° | 120.0° |
| CB3 | CB4 | HB4 | 120.7° | 120.0° |
| CB6 | CB7 | HB7 | 120.0° | 119.9° |
| CB7 | CB6 | CB5 | 118.5° | 120.0° |
| CB7 | CB6 | HB6 | 120.6° | 120.1° |
| CB5 | CB4 | HB4 | 120.9° | 120.0° |
| CB4 | CB5 | CB6 | 122.7° | 120.0° |
| CB4 | CB5 | HB5 | 118.7° | 120.0° |
| CB5 | CB6 | HB6 | 120.9° | 120.0° |
| CB6 | CB5 | HB5 | 118.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | PA | O12 | O5B | 125.6° | 120.0° |
| O11 | PA | O12 | O3 | 126.5° | 120.0° |
| O11 | PA | O5B | O3 | 111.1° | 120.0° |
| O11 | PA | O12 | HOA2 | 179.9° | 180.0° |
| O11 | PA | O5B | C5B | 18.3° | 55.0° |
| O11 | PA | O3 | PN | 176.7° | 40.0° |
| O12 | PA | O5B | O3 | 118.6° | 120.0° |
| O12 | PA | O5B | C5B | 148.7° | 65.0° |
| O12 | PA | O3 | PN | 44.2° | 80.0° |
| O5B | PA | O12 | HOA2 | 54.3° | 60.0° |
| PA | O5B | C5B | C4B | 128.7° | 180.0° |
| PA | O5B | C5B | H51A | 106.0° | 60.0° |
| PA | O5B | C5B | H52A | 3.5° | 60.0° |
| O5B | PA | O3 | PN | 69.2° | 160.0° |
| O3 | PA | O12 | HOA2 | 53.6° | 60.0° |
| O3 | PA | O5B | C5B | 92.8° | 175.0° |
| PA | O3 | PN | O13 | 107.7° | 80.0° |
| PA | O3 | PN | O14 | 23.9° | 40.0° |
| PA | O3 | PN | O5D | 139.4° | 160.0° |
| O5B | C5B | C4B | H51A | 125.3° | 120.0° |
| O5B | C5B | C4B | H52A | 125.3° | 120.0° |
| O5B | C5B | H51A | H52A | 119.0° | 119.9° |
| O5B | C5B | C4B | O4B | 167.3° | 66.7° |
| O5B | C5B | C4B | C3B | 73.2° | 175.3° |
| O5B | C5B | C4B | H4B | 46.6° | 54.3° |
| C4B | C5B | H51A | H52A | 119.0° | 120.0° |
| C5B | C4B | O4B | C3B | 121.6° | 119.5° |
| C5B | C4B | O4B | H4B | 118.6° | 121.0° |
| C5B | C4B | C3B | H4B | 118.5° | 121.0° |
| C5B | C4B | O4B | C1B | 134.2° | 145.9° |
| C5B | C4B | C3B | O3B | 129.2° | 119.9° |
| C5B | C4B | C3B | C2B | 108.9° | 121.4° |
| C5B | C4B | C3B | H3B | 11.9° | 2.9° |
| H51A | C5B | C4B | O4B | 42.0° | 53.3° |
| H51A | C5B | C4B | C3B | 161.5° | 64.7° |
| H51A | C5B | C4B | H4B | 78.7° | 174.3° |
| H52A | C5B | C4B | O4B | 67.4° | 173.3° |
| H52A | C5B | C4B | C3B | 52.0° | 55.3° |
| H52A | C5B | C4B | H4B | 171.8° | 65.7° |
| O4B | C4B | C3B | H4B | 120.8° | 119.5° |
| O4B | C4B | C3B | O3B | 110.1° | 120.6° |
| O4B | C4B | C3B | C2B | 11.8° | 1.9° |
| O4B | C4B | C3B | H3B | 132.6° | 116.6° |
| C4B | O4B | C1B | C2B | 33.0° | 40.1° |
| C4B | O4B | C1B | N9A | 162.6° | 158.8° |
| C4B | O4B | C1B | H1B | 83.7° | 78.4° |
| C3B | C4B | O4B | C1B | 12.7° | 26.4° |
| C4B | C3B | O3B | C2B | 116.1° | 114.7° |
| C4B | C3B | O3B | H3B | 123.0° | 122.8° |
| C4B | C3B | C2B | H3B | 122.9° | 118.6° |
| C4B | C3B | O3B | HO3A | 180.0° | 176.2° |
| C4B | C3B | C2B | O2B | 148.6° | 139.2° |
| C4B | C3B | C2B | C1B | 30.0° | 21.0° |
| C4B | C3B | C2B | H2B | 94.3° | 97.2° |
| H4B | C4B | O4B | C1B | 107.2° | 93.1° |
| H4B | C4B | C3B | O3B | 10.6° | 1.1° |
| H4B | C4B | C3B | C2B | 132.6° | 117.6° |
| H4B | C4B | C3B | H3B | 106.7° | 123.9° |
| O4B | C1B | C2B | C3B | 39.1° | 37.1° |
| O4B | C1B | C2B | O2B | 160.2° | 155.3° |
| O4B | C1B | C2B | N9A | 124.7° | 118.6° |
| O4B | C1B | C2B | H1B | 122.6° | 118.5° |
| O4B | C1B | C2B | H2B | 82.9° | 81.2° |
| O4B | C1B | N9A | H1B | 122.2° | 122.9° |
| O4B | C1B | N9A | C8A | 94.4° | 23.6° |
| O4B | C1B | N9A | C4A | 82.0° | 156.8° |
| O3B | C3B | C2B | H3B | 117.3° | 122.5° |
| O3B | C3B | C2B | O2B | 28.8° | 20.2° |
| O3B | C3B | C2B | C1B | 89.8° | 98.0° |
| O3B | C3B | C2B | H2B | 145.9° | 143.8° |
| C2B | C3B | O3B | HO3A | 63.9° | 61.4° |
| C3B | C2B | O2B | C1B | 112.8° | 112.7° |
| C3B | C2B | O2B | H2B | 122.5° | 123.7° |
| C3B | C2B | C1B | H2B | 122.0° | 118.3° |
| C3B | C2B | O2B | HO2A | 180.0° | 67.3° |
| C3B | C2B | C1B | N9A | 163.8° | 155.7° |
| C3B | C2B | C1B | H1B | 83.5° | 81.4° |
| H3B | C3B | O3B | HO3A | 57.0° | 61.0° |
| H3B | C3B | C2B | O2B | 88.5° | 102.2° |
| H3B | C3B | C2B | C1B | 152.9° | 139.6° |
| H3B | C3B | C2B | H2B | 28.6° | 21.4° |
| O2B | C2B | C1B | H2B | 116.9° | 123.6° |
| O2B | C2B | C1B | N9A | 75.1° | 86.1° |
| O2B | C2B | C1B | H1B | 37.6° | 36.8° |
| C1B | C2B | O2B | HO2A | 67.3° | 180.0° |
| C2B | C1B | N9A | H1B | 115.2° | 122.9° |
| C2B | C1B | N9A | C8A | 28.1° | 90.6° |
| C2B | C1B | N9A | C4A | 155.4° | 89.0° |
| H2B | C2B | O2B | HO2A | 57.4° | 56.4° |
| H2B | C2B | C1B | N9A | 41.8° | 37.4° |
| H2B | C2B | C1B | H1B | 154.5° | 160.3° |
| C1B | N9A | C8A | C4A | 177.0° | 179.7° |
| C1B | N9A | C8A | N7A | 177.2° | 180.0° |
| C1B | N9A | C8A | H8A | 2.8° | 0.1° |
| C1B | N9A | C4A | C5A | 177.2° | 179.9° |
| C1B | N9A | C4A | N3A | 2.5° | 0.9° |
| H1B | C1B | N9A | C8A | 143.4° | 146.5° |
| H1B | C1B | N9A | C4A | 40.1° | 33.9° |
| N9A | C8A | N7A | H8A | 179.9° | 180.0° |
| N9A | C8A | N7A | C5A | 0.3° | 0.1° |
| C8A | N9A | C4A | C5A | 0.0° | 0.4° |
| C8A | N9A | C4A | N3A | 179.6° | 179.5° |
| C4A | N9A | C8A | N7A | 0.2° | 0.3° |
| C4A | N9A | C8A | H8A | 179.8° | 179.7° |
| N9A | C4A | C5A | N7A | 0.2° | 0.4° |
| N9A | C4A | C5A | C6A | 179.3° | 179.8° |
| N9A | C4A | C5A | N3A | 179.7° | 179.2° |
| N9A | C4A | N3A | C2A | 179.5° | 179.5° |
| C8A | N7A | C5A | C6A | 179.0° | 180.0° |
| C8A | N7A | C5A | C4A | 0.3° | 0.2° |
| H8A | C8A | N7A | C5A | 179.7° | 180.0° |
| N7A | C5A | C6A | C4A | 179.3° | 179.8° |
| N7A | C5A | C6A | N6A | 0.5° | 0.1° |
| N7A | C5A | C6A | N1A | 179.7° | 180.0° |
| N7A | C5A | C4A | N3A | 179.9° | 179.6° |
| C5A | C6A | N6A | N1A | 179.2° | 179.9° |
| C5A | C6A | N6A | CB1 | 7.7° | 180.0° |
| C5A | C6A | N6A | H6A | 117.5° | 0.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.1° |
| C6A | C5A | C4A | N3A | 0.4° | 0.5° |
| C4A | C5A | C6A | N6A | 178.8° | 179.7° |
| C4A | C5A | C6A | N1A | 0.4° | 0.2° |
| C5A | C4A | N3A | C2A | 0.1° | 0.6° |
| C6A | N6A | CB1 | H6A | 125.2° | 180.0° |
| N6A | C6A | N1A | C2A | 179.2° | 180.0° |
| C6A | N6A | CB1 | CB2 | 84.4° | 180.0° |
| C6A | N6A | CB1 | HB11 | 150.3° | 60.0° |
| C6A | N6A | CB1 | HB12 | 40.8° | 59.9° |
| N1A | C6A | N6A | CB1 | 173.1° | 0.1° |
| N1A | C6A | N6A | H6A | 61.7° | 179.9° |
| C6A | N1A | C2A | N3A | 0.2° | 0.0° |
| C6A | N1A | C2A | H2A | 179.8° | 179.9° |
| N6A | CB1 | CB2 | HB11 | 125.3° | 120.0° |
| N6A | CB1 | CB2 | HB12 | 125.3° | 120.0° |
| N6A | CB1 | HB11 | HB12 | 115.5° | 120.0° |
| N6A | CB1 | CB2 | CB3 | 36.6° | 90.0° |
| N6A | CB1 | CB2 | CB7 | 143.1° | 90.2° |
| H6A | N6A | CB1 | CB2 | 150.4° | 0.0° |
| H6A | N6A | CB1 | HB11 | 25.1° | 120.0° |
| H6A | N6A | CB1 | HB12 | 84.4° | 120.1° |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.2° | 0.3° |
| H2A | C2A | N3A | C4A | 179.8° | 179.7° |
| O3 | PN | O13 | O14 | 123.1° | 120.0° |
| O3 | PN | O13 | O5D | 110.7° | 120.1° |
| O3 | PN | O14 | O5D | 112.0° | 120.0° |
| O3 | PN | O5D | C5D | 78.5° | 175.0° |
| O13 | PN | O14 | O5D | 125.2° | 120.0° |
| O13 | PN | O5D | C5D | 168.9° | 65.0° |
| O14 | PN | O5D | C5D | 35.7° | 55.0° |
| PN | O5D | C5D | C4D | 160.1° | 180.0° |
| PN | O5D | C5D | H51N | 74.7° | 59.9° |
| PN | O5D | C5D | H52N | 34.8° | 60.1° |
| O5D | C5D | C4D | H51N | 125.3° | 120.0° |
| O5D | C5D | C4D | H52N | 125.3° | 120.0° |
| O5D | C5D | H51N | H52N | 118.3° | 120.0° |
| O5D | C5D | C4D | O4D | 63.2° | 66.4° |
| O5D | C5D | C4D | C3D | 54.6° | 178.1° |
| O5D | C5D | C4D | H4D | 173.6° | 55.8° |
| C4D | C5D | H51N | H52N | 118.3° | 120.0° |
| C5D | C4D | O4D | C3D | 122.5° | 119.0° |
| C5D | C4D | O4D | H4D | 118.6° | 122.2° |
| C5D | C4D | C3D | H4D | 118.6° | 122.3° |
| C5D | C4D | O4D | C1D | 116.0° | 159.5° |
| C5D | C4D | C3D | O3D | 146.4° | 98.4° |
| C5D | C4D | C3D | C2D | 94.6° | 142.9° |
| C5D | C4D | C3D | H3D | 27.4° | 24.2° |
| H51N | C5D | C4D | O4D | 171.5° | 173.6° |
| H51N | C5D | C4D | C3D | 70.6° | 58.1° |
| H51N | C5D | C4D | H4D | 48.3° | 64.2° |
| H52N | C5D | C4D | O4D | 62.0° | 53.6° |
| H52N | C5D | C4D | C3D | 179.9° | 61.9° |
| H52N | C5D | C4D | H4D | 61.2° | 175.8° |
| O4D | C4D | C3D | H4D | 123.2° | 118.8° |
| O4D | C4D | C3D | O3D | 95.4° | 142.8° |
| O4D | C4D | C3D | C2D | 23.6° | 24.0° |
| O4D | C4D | C3D | H3D | 145.6° | 94.6° |
| C4D | O4D | C1D | C2D | 13.5° | 40.4° |
| C4D | O4D | C1D | N1N | 142.7° | 159.3° |
| C4D | O4D | C1D | H1D | 104.8° | 78.4° |
| C3D | C4D | O4D | C1D | 6.5° | 40.5° |
| C4D | C3D | O3D | C2D | 114.7° | 114.7° |
| C4D | C3D | O3D | H3D | 123.0° | 122.6° |
| C4D | C3D | C2D | H3D | 122.7° | 118.7° |
| C4D | C3D | O3D | HO3N | 180.0° | 180.0° |
| C4D | C3D | C2D | O2D | 148.1° | 118.8° |
| C4D | C3D | C2D | C1D | 30.6° | 0.1° |
| C4D | C3D | C2D | H2D | 92.7° | 118.7° |
| H4D | C4D | O4D | C1D | 125.4° | 78.3° |
| H4D | C4D | C3D | O3D | 27.8° | 23.9° |
| H4D | C4D | C3D | C2D | 146.8° | 94.8° |
| H4D | C4D | C3D | H3D | 91.2° | 146.6° |
| O4D | C1D | C2D | C3D | 27.6° | 23.9° |
| O4D | C1D | C2D | O2D | 145.6° | 142.6° |
| O4D | C1D | C2D | N1N | 128.7° | 118.9° |
| O4D | C1D | C2D | H1D | 118.9° | 118.8° |
| O4D | C1D | C2D | H2D | 95.2° | 94.8° |
| O4D | C1D | N1N | H1D | 117.9° | 122.3° |
| O4D | C1D | N1N | C2N | 79.4° | 142.6° |
| O4D | C1D | N1N | C6N | 105.8° | 37.0° |
| O3D | C3D | C2D | H3D | 119.0° | 122.6° |
| O3D | C3D | C2D | O2D | 29.7° | 0.1° |
| O3D | C3D | C2D | C1D | 87.7° | 118.8° |
| O3D | C3D | C2D | H2D | 149.0° | 122.6° |
| C2D | C3D | O3D | HO3N | 65.4° | 65.3° |
| C3D | C2D | O2D | C1D | 112.8° | 114.7° |
| C3D | C2D | O2D | H2D | 123.3° | 122.6° |
| C3D | C2D | C1D | H2D | 122.8° | 118.6° |
| C3D | C2D | O2D | HO2N | 180.0° | 61.4° |
| C3D | C2D | C1D | N1N | 156.3° | 142.8° |
| C3D | C2D | C1D | H1D | 91.4° | 95.0° |
| H3D | C3D | O3D | HO3N | 57.0° | 57.3° |
| H3D | C3D | C2D | O2D | 89.3° | 122.5° |
| H3D | C3D | C2D | C1D | 153.3° | 118.6° |
| H3D | C3D | C2D | H2D | 30.0° | 0.0° |
| O2D | C2D | C1D | H2D | 119.2° | 122.6° |
| O2D | C2D | C1D | N1N | 85.7° | 98.5° |
| O2D | C2D | C1D | H1D | 26.6° | 23.8° |
| C1D | C2D | O2D | HO2N | 67.2° | 176.1° |
| C2D | C1D | N1N | H1D | 117.1° | 122.2° |
| C2D | C1D | N1N | C2N | 45.6° | 101.9° |
| C2D | C1D | N1N | C6N | 129.2° | 78.5° |
| H2D | C2D | O2D | HO2N | 56.7° | 61.2° |
| H2D | C2D | C1D | N1N | 33.5° | 24.1° |
| H2D | C2D | C1D | H1D | 145.8° | 146.4° |
| C1D | N1N | C2N | C6N | 174.6° | 179.6° |
| C1D | N1N | C2N | C3N | 173.7° | 179.7° |
| C1D | N1N | C2N | H2N | 6.3° | 0.4° |
| C1D | N1N | C6N | C5N | 174.6° | 180.0° |
| C1D | N1N | C6N | H6N | 5.4° | 0.0° |
| H1D | C1D | N1N | C2N | 162.8° | 20.3° |
| H1D | C1D | N1N | C6N | 12.1° | 159.3° |
| N1N | C2N | C3N | H2N | 180.0° | 179.2° |
| N1N | C2N | C3N | C7N | 178.5° | 179.6° |
| N1N | C2N | C3N | C4N | 1.1° | 0.7° |
| C2N | N1N | C6N | C5N | 0.4° | 0.4° |
| C2N | N1N | C6N | H6N | 179.6° | 179.6° |
| C6N | N1N | C2N | C3N | 0.9° | 0.7° |
| C6N | N1N | C2N | H2N | 179.1° | 180.0° |
| N1N | C6N | C5N | C4N | 0.1° | 0.0° |
| N1N | C6N | C5N | H6N | 180.0° | 180.0° |
| N1N | C6N | C5N | H5N | 179.9° | 180.0° |
| C2N | C3N | C7N | C4N | 179.6° | 179.7° |
| C2N | C3N | C7N | O7N | 154.3° | 0.3° |
| C2N | C3N | C7N | N7N | 25.6° | 179.7° |
| C2N | C3N | C4N | C5N | 0.8° | 0.3° |
| C2N | C3N | C4N | H4N | 179.2° | 179.7° |
| H2N | C2N | C3N | C7N | 1.4° | 0.4° |
| H2N | C2N | C3N | C4N | 178.9° | 179.9° |
| C3N | C7N | O7N | N7N | 180.0° | 180.0° |
| C3N | C7N | N7N | H71N | 0.1° | 180.0° |
| C3N | C7N | N7N | H72N | 180.0° | 0.2° |
| C7N | C3N | C4N | C5N | 178.9° | 180.0° |
| C7N | C3N | C4N | H4N | 1.1° | 0.0° |
| C4N | C3N | C7N | O7N | 25.3° | 180.0° |
| C4N | C3N | C7N | N7N | 154.7° | 0.0° |
| C3N | C4N | C5N | H4N | 180.0° | 180.0° |
| C3N | C4N | C5N | C6N | 0.3° | 0.0° |
| C3N | C4N | C5N | H5N | 179.7° | 180.0° |
| O7N | C7N | N7N | H71N | 180.0° | 0.0° |
| O7N | C7N | N7N | H72N | 0.0° | 179.8° |
| C7N | N7N | H71N | H72N | 180.0° | 179.8° |
| C4N | C5N | C6N | H5N | 180.0° | 179.9° |
| C4N | C5N | C6N | H6N | 179.9° | 180.0° |
| H4N | C4N | C5N | C6N | 179.7° | 179.9° |
| H4N | C4N | C5N | H5N | 0.3° | 0.0° |
| H5N | C5N | C6N | H6N | 0.1° | 0.1° |
| CB2 | CB1 | HB11 | HB12 | 115.4° | 120.0° |
| CB1 | CB2 | CB3 | CB7 | 179.7° | 179.8° |
| CB1 | CB2 | CB3 | CB4 | 179.9° | 180.0° |
| CB1 | CB2 | CB3 | HB3 | 0.0° | 0.0° |
| CB1 | CB2 | CB7 | CB6 | 180.0° | 179.8° |
| CB1 | CB2 | CB7 | HB7 | 0.0° | 0.2° |
| HB11 | CB1 | CB2 | CB3 | 88.7° | 30.0° |
| HB11 | CB1 | CB2 | CB7 | 91.6° | 149.8° |
| HB12 | CB1 | CB2 | CB3 | 161.9° | 150.0° |
| HB12 | CB1 | CB2 | CB7 | 17.8° | 29.8° |
| CB2 | CB3 | CB4 | HB3 | 180.0° | 180.0° |
| CB3 | CB2 | CB7 | CB6 | 0.3° | 0.4° |
| CB3 | CB2 | CB7 | HB7 | 179.7° | 180.0° |
| CB2 | CB3 | CB4 | CB5 | 0.0° | 0.0° |
| CB2 | CB3 | CB4 | HB4 | 180.0° | 179.9° |
| CB7 | CB2 | CB3 | CB4 | 0.2° | 0.2° |
| CB7 | CB2 | CB3 | HB3 | 179.7° | 179.8° |
| CB2 | CB7 | CB6 | HB7 | 180.0° | 179.6° |
| CB2 | CB7 | CB6 | CB5 | 0.1° | 0.4° |
| CB2 | CB7 | CB6 | HB6 | 179.9° | 179.7° |
| CB3 | CB4 | CB5 | HB4 | 180.0° | 179.9° |
| CB3 | CB4 | CB5 | CB6 | 0.1° | 0.1° |
| CB3 | CB4 | CB5 | HB5 | 179.9° | 180.0° |
| HB3 | CB3 | CB4 | CB5 | 179.9° | 180.0° |
| HB3 | CB3 | CB4 | HB4 | 0.0° | 0.0° |
| CB7 | CB6 | CB5 | CB4 | 0.1° | 0.1° |
| CB7 | CB6 | CB5 | HB6 | 180.0° | 179.9° |
| CB7 | CB6 | CB5 | HB5 | 179.9° | 179.8° |
| HB7 | CB7 | CB6 | CB5 | 179.9° | 180.0° |
| HB7 | CB7 | CB6 | HB6 | 0.1° | 0.2° |
| CB4 | CB5 | CB6 | HB5 | 179.9° | 180.0° |
| CB4 | CB5 | CB6 | HB6 | 179.9° | 180.0° |
| HB4 | CB4 | CB5 | CB6 | 179.8° | 180.0° |
| HB4 | CB4 | CB5 | HB5 | 0.1° | 0.0° |
| HB6 | CB6 | CB5 | HB5 | 0.1° | 0.0° |
