NDC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.50Å | |
| PA | O2A | sing | 1.61Å | 1.56Å | |
| PA | O5' | sing | 1.61Å | 1.57Å | |
| PA | OPP | sing | 1.61Å | 1.57Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.51Å | |
| C5' | C4' | sing | 1.53Å | 1.47Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.48Å | |
| C4' | C3' | sing | 1.54Å | 1.57Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.34Å | |
| C3' | O3' | sing | 1.43Å | 1.48Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.38Å | |
| C2' | C1' | sing | 1.55Å | 1.59Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C1' | N9A | sing | 1.46Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9A | C8A | sing | 1.36Å | 1.38Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.39Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.33Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N7A | C5A | sing | 1.35Å | 1.36Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.49Å | Aromatic |
| C5A | C4A | doub | 1.40Å | 1.39Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.31Å | |
| C6A | N1A | doub | 1.33Å | 1.39Å | Aromatic |
| N6A | H6A1 | sing | 0.97Å | 1.02Å | |
| N6A | H6A2 | sing | 0.97Å | 1.02Å | |
| N1A | C2A | sing | 1.32Å | 1.33Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.40Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.42Å | Aromatic |
| OPP | PN | sing | 1.61Å | 1.61Å | |
| PN | O1N | doub | 1.54Å | 1.46Å | |
| PN | O2N | sing | 1.55Å | 1.49Å | |
| PN | O5B | sing | 1.61Å | 1.59Å | |
| O5B | C5B | sing | 1.43Å | 1.46Å | |
| C5B | C4B | sing | 1.53Å | 1.51Å | |
| C5B | H5A1 | sing | 1.09Å | 1.12Å | |
| C5B | H5A2 | sing | 1.09Å | 1.12Å | |
| C4B | O4B | sing | 1.44Å | 1.49Å | |
| C4B | C3B | sing | 1.54Å | 1.58Å | |
| C4B | H4B | sing | 1.09Å | 1.12Å | |
| O4B | C1B | sing | 1.44Å | 1.43Å | |
| C3B | O3B | sing | 1.43Å | 1.40Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| O3B | HOA3 | sing | 0.97Å | 0.95Å | |
| C2B | O2B | sing | 1.43Å | 1.40Å | |
| C2B | C1B | sing | 1.55Å | 1.50Å | |
| C2B | H2B | sing | 1.09Å | 1.11Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| C1B | N1N | sing | 1.46Å | 1.34Å | |
| C1B | H1B | sing | 1.09Å | 1.12Å | |
| N1N | C2N | sing | 1.32Å | 1.40Å | Aromatic |
| N1N | C6N | doub | 1.32Å | 1.42Å | Aromatic |
| C2N | C3N | doub | 1.39Å | 1.36Å | Aromatic |
| C2N | H2N | sing | 1.08Å | 1.10Å | |
| C3N | C7N | sing | 1.48Å | 1.48Å | |
| C3N | C4N | sing | 1.40Å | 1.51Å | Aromatic |
| C7N | O7N | doub | 1.22Å | 1.25Å | |
| C7N | N7N | sing | 1.35Å | 1.38Å | |
| N7N | H7N1 | sing | 0.97Å | 1.02Å | |
| N7N | H7N2 | sing | 0.97Å | 1.02Å | |
| C4N | C5N | doub | 1.38Å | 1.49Å | Aromatic |
| C4N | CC6 | sing | 1.51Å | 1.54Å | |
| C5N | C6N | sing | 1.38Å | 1.36Å | Aromatic |
| C5N | H5N | sing | 1.08Å | 1.10Å | |
| C6N | H6N | sing | 1.08Å | 1.10Å | |
| CC1 | OC1 | doub | 1.21Å | 1.24Å | |
| CC1 | CC2 | sing | 1.51Å | 1.50Å | |
| CC1 | CC6 | sing | 1.51Å | 1.52Å | |
| CC2 | CC3 | sing | 1.53Å | 1.50Å | |
| CC2 | HC21 | sing | 1.09Å | 1.12Å | |
| CC2 | HC22 | sing | 1.09Å | 1.12Å | |
| CC3 | CC4 | sing | 1.53Å | 1.51Å | |
| CC3 | HC31 | sing | 1.09Å | 1.12Å | |
| CC3 | HC32 | sing | 1.09Å | 1.11Å | |
| CC4 | CC5 | sing | 1.53Å | 1.51Å | |
| CC4 | HC41 | sing | 1.09Å | 1.12Å | |
| CC4 | HC42 | sing | 1.09Å | 1.12Å | |
| CC5 | CC6 | sing | 1.53Å | 1.53Å | |
| CC5 | HC51 | sing | 1.09Å | 1.11Å | |
| CC5 | HC52 | sing | 1.09Å | 1.11Å | |
| CC6 | HC6 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 116.1° | 109.5° |
| O1A | PA | O5' | 112.0° | 109.5° |
| O1A | PA | OPP | 108.2° | 109.5° |
| O2A | PA | O5' | 107.9° | 109.5° |
| O2A | PA | OPP | 109.0° | 109.5° |
| PA | O2A | HOA2 | 116.1° | 114.0° |
| O5' | PA | OPP | 102.8° | 109.4° |
| PA | O5' | C5' | 119.4° | 123.0° |
| PA | OPP | PN | 135.5° | 134.0° |
| O5' | C5' | C4' | 104.2° | 109.5° |
| O5' | C5' | H5'1 | 114.3° | 109.4° |
| O5' | C5' | H5'2 | 114.3° | 109.5° |
| C4' | C5' | H5'1 | 114.2° | 109.5° |
| C4' | C5' | H5'2 | 114.2° | 109.5° |
| C5' | C4' | O4' | 105.2° | 109.9° |
| C5' | C4' | C3' | 111.2° | 109.9° |
| C5' | C4' | H4' | 109.7° | 109.9° |
| H5'1 | C5' | H5'2 | 96.2° | 109.5° |
| O4' | C4' | C3' | 104.6° | 107.3° |
| O4' | C4' | H4' | 115.7° | 109.9° |
| C4' | O4' | C1' | 107.5° | 107.0° |
| C3' | C4' | H4' | 110.3° | 110.0° |
| C4' | C3' | O3' | 106.3° | 110.5° |
| C4' | C3' | C2' | 105.6° | 104.2° |
| C4' | C3' | H3' | 114.0° | 110.5° |
| O4' | C1' | C2' | 111.1° | 103.5° |
| O4' | C1' | N9A | 114.2° | 110.6° |
| O4' | C1' | H1' | 105.0° | 110.6° |
| O3' | C3' | C2' | 109.7° | 110.5° |
| O3' | C3' | H3' | 110.1° | 110.4° |
| C3' | O3' | HO'3 | 106.3° | 114.0° |
| C2' | C3' | H3' | 110.9° | 110.6° |
| C3' | C2' | O2' | 119.6° | 110.9° |
| C3' | C2' | C1' | 95.7° | 102.1° |
| C3' | C2' | H2' | 115.2° | 110.9° |
| O2' | C2' | C1' | 116.8° | 110.9° |
| O2' | C2' | H2' | 93.4° | 110.8° |
| C2' | O2' | HO'2 | 119.6° | 114.1° |
| C1' | C2' | H2' | 118.0° | 110.9° |
| C2' | C1' | N9A | 109.5° | 110.6° |
| C2' | C1' | H1' | 110.1° | 110.6° |
| N9A | C1' | H1' | 106.7° | 110.7° |
| C1' | N9A | C8A | 129.7° | 126.3° |
| C1' | N9A | C4A | 127.5° | 126.3° |
| C8A | N9A | C4A | 102.8° | 107.4° |
| N9A | C8A | N7A | 113.5° | 110.0° |
| N9A | C8A | H8A | 125.2° | 125.0° |
| N9A | C4A | C5A | 109.2° | 106.0° |
| N9A | C4A | N3A | 129.1° | 134.9° |
| N7A | C8A | H8A | 121.4° | 125.0° |
| C8A | N7A | C5A | 106.8° | 109.4° |
| N7A | C5A | C6A | 132.5° | 134.7° |
| N7A | C5A | C4A | 107.7° | 107.2° |
| C6A | C5A | C4A | 119.8° | 118.1° |
| C5A | C6A | N6A | 123.0° | 120.8° |
| C5A | C6A | N1A | 114.5° | 118.5° |
| C5A | C4A | N3A | 121.7° | 119.1° |
| N6A | C6A | N1A | 122.6° | 120.7° |
| C6A | N6A | H6A1 | 123.0° | 120.0° |
| C6A | N6A | H6A2 | 107.4° | 120.0° |
| C6A | N1A | C2A | 124.8° | 121.2° |
| H6A1 | N6A | H6A2 | 107.5° | 120.0° |
| N1A | C2A | N3A | 122.5° | 122.5° |
| N1A | C2A | H2A | 116.0° | 118.8° |
| N3A | C2A | H2A | 121.5° | 118.7° |
| C2A | N3A | C4A | 116.7° | 120.6° |
| OPP | PN | O1N | 106.5° | 109.5° |
| OPP | PN | O2N | 109.0° | 109.5° |
| OPP | PN | O5B | 102.8° | 109.4° |
| O1N | PN | O2N | 120.3° | 109.5° |
| O1N | PN | O5B | 106.7° | 109.5° |
| O2N | PN | O5B | 109.9° | 109.4° |
| PN | O5B | C5B | 123.7° | 123.0° |
| O5B | C5B | C4B | 106.7° | 109.4° |
| O5B | C5B | H5A1 | 113.3° | 109.5° |
| O5B | C5B | H5A2 | 113.3° | 109.5° |
| C4B | C5B | H5A1 | 113.2° | 109.5° |
| C4B | C5B | H5A2 | 113.3° | 109.5° |
| C5B | C4B | O4B | 107.0° | 109.9° |
| C5B | C4B | C3B | 114.1° | 109.8° |
| C5B | C4B | H4B | 106.2° | 109.9° |
| H5A1 | C5B | H5A2 | 97.2° | 109.5° |
| O4B | C4B | C3B | 102.7° | 107.2° |
| O4B | C4B | H4B | 117.0° | 109.9° |
| C4B | O4B | C1B | 111.0° | 107.0° |
| C3B | C4B | H4B | 110.2° | 110.0° |
| C4B | C3B | O3B | 108.2° | 110.5° |
| C4B | C3B | C2B | 102.3° | 104.2° |
| C4B | C3B | H3B | 114.9° | 110.5° |
| O4B | C1B | C2B | 104.1° | 103.5° |
| O4B | C1B | N1N | 110.1° | 110.6° |
| O4B | C1B | H1B | 116.1° | 110.6° |
| O3B | C3B | C2B | 109.9° | 110.5° |
| O3B | C3B | H3B | 107.9° | 110.5° |
| C3B | O3B | HOA3 | 108.3° | 114.0° |
| C2B | C3B | H3B | 113.4° | 110.6° |
| C3B | C2B | O2B | 110.1° | 110.9° |
| C3B | C2B | C1B | 102.1° | 102.1° |
| C3B | C2B | H2B | 115.3° | 110.9° |
| O2B | C2B | C1B | 113.6° | 110.9° |
| O2B | C2B | H2B | 104.2° | 110.8° |
| C2B | O2B | HOB2 | 110.1° | 114.0° |
| C1B | C2B | H2B | 111.9° | 110.9° |
| C2B | C1B | N1N | 118.2° | 110.6° |
| C2B | C1B | H1B | 107.6° | 110.6° |
| N1N | C1B | H1B | 101.4° | 110.6° |
| C1B | N1N | C2N | 123.1° | 119.1° |
| C1B | N1N | C6N | 119.7° | 119.0° |
| C2N | N1N | C6N | 115.4° | 121.9° |
| N1N | C2N | C3N | 121.3° | 120.6° |
| N1N | C2N | H2N | 120.6° | 119.7° |
| N1N | C6N | C5N | 121.2° | 121.1° |
| N1N | C6N | H6N | 121.6° | 119.4° |
| C3N | C2N | H2N | 118.1° | 119.7° |
| C2N | C3N | C7N | 123.8° | 120.6° |
| C2N | C3N | C4N | 120.9° | 118.9° |
| C7N | C3N | C4N | 115.3° | 120.5° |
| C3N | C7N | O7N | 121.7° | 120.0° |
| C3N | C7N | N7N | 119.9° | 120.0° |
| C3N | C4N | C5N | 106.9° | 118.3° |
| C3N | C4N | CC6 | 111.7° | 120.9° |
| O7N | C7N | N7N | 118.4° | 119.9° |
| C7N | N7N | H7N1 | 118.4° | 119.9° |
| C7N | N7N | H7N2 | 119.9° | 120.0° |
| H7N1 | N7N | H7N2 | 121.7° | 120.0° |
| C5N | C4N | CC6 | 111.6° | 120.8° |
| C4N | C5N | C6N | 121.1° | 119.3° |
| C4N | C5N | H5N | 124.2° | 120.3° |
| C4N | CC6 | CC1 | 112.0° | 109.6° |
| C4N | CC6 | CC5 | 110.4° | 109.6° |
| C4N | CC6 | HC6 | 106.1° | 109.6° |
| C6N | C5N | H5N | 114.7° | 120.4° |
| C5N | C6N | H6N | 117.2° | 119.4° |
| OC1 | CC1 | CC2 | 118.3° | 120.9° |
| OC1 | CC1 | CC6 | 119.7° | 120.8° |
| CC2 | CC1 | CC6 | 116.3° | 118.3° |
| CC1 | CC2 | CC3 | 117.3° | 108.5° |
| CC1 | CC2 | HC21 | 109.3° | 109.7° |
| CC1 | CC2 | HC22 | 109.4° | 109.6° |
| CC1 | CC6 | CC5 | 106.3° | 108.8° |
| CC1 | CC6 | HC6 | 110.2° | 109.6° |
| CC3 | CC2 | HC21 | 109.4° | 109.6° |
| CC3 | CC2 | HC22 | 109.4° | 109.6° |
| CC2 | CC3 | CC4 | 114.9° | 109.4° |
| CC2 | CC3 | HC31 | 110.2° | 109.5° |
| CC2 | CC3 | HC32 | 110.2° | 109.5° |
| HC21 | CC2 | HC22 | 100.7° | 109.8° |
| CC4 | CC3 | HC31 | 110.2° | 109.5° |
| CC4 | CC3 | HC32 | 110.2° | 109.5° |
| CC3 | CC4 | CC5 | 110.2° | 109.8° |
| CC3 | CC4 | HC41 | 111.9° | 109.4° |
| CC3 | CC4 | HC42 | 112.0° | 109.4° |
| HC31 | CC3 | HC32 | 100.0° | 109.5° |
| CC5 | CC4 | HC41 | 111.9° | 109.4° |
| CC5 | CC4 | HC42 | 111.9° | 109.4° |
| CC4 | CC5 | CC6 | 110.9° | 109.5° |
| CC4 | CC5 | HC51 | 111.7° | 109.5° |
| CC4 | CC5 | HC52 | 111.7° | 109.5° |
| HC41 | CC4 | HC42 | 98.5° | 109.3° |
| CC6 | CC5 | HC51 | 111.7° | 109.5° |
| CC6 | CC5 | HC52 | 111.7° | 109.3° |
| CC5 | CC6 | HC6 | 111.9° | 109.6° |
| HC51 | CC5 | HC52 | 98.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5' | 126.6° | 120.0° |
| O1A | PA | O2A | OPP | 122.4° | 120.0° |
| O1A | PA | O5' | OPP | 116.0° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 180.0° |
| O1A | PA | O5' | C5' | 28.7° | 55.0° |
| O1A | PA | OPP | PN | 178.7° | 40.0° |
| O2A | PA | O5' | OPP | 115.1° | 120.0° |
| O2A | PA | O5' | C5' | 157.6° | 65.0° |
| O2A | PA | OPP | PN | 54.2° | 80.0° |
| O5' | PA | O2A | HOA2 | 53.4° | 60.0° |
| PA | O5' | C5' | C4' | 171.8° | 180.0° |
| PA | O5' | C5' | H5'1 | 62.9° | 60.0° |
| PA | O5' | C5' | H5'2 | 46.5° | 60.0° |
| O5' | PA | OPP | PN | 60.1° | 160.0° |
| OPP | PA | O2A | HOA2 | 57.6° | 59.9° |
| OPP | PA | O5' | C5' | 87.2° | 175.0° |
| PA | OPP | PN | O1N | 134.1° | 40.0° |
| PA | OPP | PN | O2N | 2.8° | 80.0° |
| PA | OPP | PN | O5B | 113.9° | 160.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 120.2° | 120.0° |
| O5' | C5' | C4' | O4' | 175.2° | 66.5° |
| O5' | C5' | C4' | C3' | 72.2° | 175.7° |
| O5' | C5' | C4' | H4' | 50.1° | 54.6° |
| C4' | C5' | H5'1 | H5'2 | 120.0° | 120.0° |
| C5' | C4' | O4' | C3' | 117.2° | 119.4° |
| C5' | C4' | O4' | H4' | 121.3° | 121.0° |
| C5' | C4' | C3' | H4' | 121.9° | 121.1° |
| C5' | C4' | O4' | C1' | 117.8° | 145.9° |
| C5' | C4' | C3' | O3' | 155.1° | 119.8° |
| C5' | C4' | C3' | C2' | 88.4° | 121.4° |
| C5' | C4' | C3' | H3' | 33.6° | 2.6° |
| H5'1 | C5' | C4' | O4' | 49.8° | 53.5° |
| H5'1 | C5' | C4' | C3' | 162.5° | 64.3° |
| H5'1 | C5' | C4' | H4' | 75.3° | 174.6° |
| H5'2 | C5' | C4' | O4' | 59.5° | 173.5° |
| H5'2 | C5' | C4' | C3' | 53.2° | 55.7° |
| H5'2 | C5' | C4' | H4' | 175.4° | 65.4° |
| O4' | C4' | C3' | H4' | 125.0° | 119.5° |
| O4' | C4' | C3' | O3' | 91.8° | 120.8° |
| O4' | C4' | C3' | C2' | 24.7° | 2.1° |
| O4' | C4' | C3' | H3' | 146.7° | 116.8° |
| C4' | O4' | C1' | C2' | 24.9° | 40.1° |
| C4' | O4' | C1' | N9A | 149.4° | 158.6° |
| C4' | O4' | C1' | H1' | 94.1° | 78.4° |
| C3' | C4' | O4' | C1' | 0.5° | 26.5° |
| C4' | C3' | O3' | C2' | 113.7° | 114.8° |
| C4' | C3' | O3' | H3' | 124.0° | 122.5° |
| C4' | C3' | C2' | H3' | 123.9° | 118.7° |
| C4' | C3' | O3' | HO'3 | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 160.4° | 139.1° |
| C4' | C3' | C2' | C1' | 35.1° | 20.9° |
| C4' | C3' | C2' | H2' | 89.6° | 97.4° |
| H4' | C4' | O4' | C1' | 121.0° | 93.0° |
| H4' | C4' | C3' | O3' | 33.2° | 1.3° |
| H4' | C4' | C3' | C2' | 149.7° | 117.5° |
| H4' | C4' | C3' | H3' | 88.3° | 123.7° |
| O4' | C1' | C2' | C3' | 38.7° | 37.0° |
| O4' | C1' | C2' | O2' | 166.1° | 155.2° |
| O4' | C1' | C2' | N9A | 127.0° | 118.5° |
| O4' | C1' | C2' | H1' | 115.9° | 118.5° |
| O4' | C1' | C2' | H2' | 83.8° | 81.2° |
| O4' | C1' | N9A | H1' | 115.6° | 123.0° |
| O4' | C1' | N9A | C8A | 55.7° | 23.6° |
| O4' | C1' | N9A | C4A | 123.2° | 156.8° |
| O3' | C3' | C2' | H3' | 121.9° | 122.6° |
| O3' | C3' | C2' | O2' | 46.2° | 20.4° |
| O3' | C3' | C2' | C1' | 79.1° | 97.8° |
| O3' | C3' | C2' | H2' | 156.2° | 143.9° |
| C2' | C3' | O3' | HO'3 | 66.3° | 65.2° |
| C3' | C2' | O2' | C1' | 114.6° | 112.7° |
| C3' | C2' | O2' | H2' | 121.6° | 123.6° |
| C3' | C2' | C1' | H2' | 122.5° | 118.2° |
| C3' | C2' | O2' | HO'2 | 179.9° | 61.4° |
| C3' | C2' | C1' | N9A | 165.8° | 155.6° |
| C3' | C2' | C1' | H1' | 77.2° | 81.4° |
| H3' | C3' | O3' | HO'3 | 56.0° | 57.5° |
| H3' | C3' | C2' | O2' | 75.7° | 102.2° |
| H3' | C3' | C2' | C1' | 159.0° | 139.6° |
| H3' | C3' | C2' | H2' | 34.3° | 21.3° |
| O2' | C2' | C1' | H2' | 110.1° | 123.6° |
| O2' | C2' | C1' | N9A | 66.9° | 86.3° |
| O2' | C2' | C1' | H1' | 50.2° | 36.8° |
| C1' | C2' | O2' | HO'2 | 65.4° | 174.2° |
| C2' | C1' | N9A | H1' | 119.2° | 122.9° |
| C2' | C1' | N9A | C8A | 69.5° | 90.5° |
| C2' | C1' | N9A | C4A | 111.5° | 89.2° |
| H2' | C2' | O2' | HO'2 | 58.5° | 62.1° |
| H2' | C2' | C1' | N9A | 43.2° | 37.3° |
| H2' | C2' | C1' | H1' | 160.3° | 160.3° |
| C1' | N9A | C8A | C4A | 179.2° | 179.7° |
| C1' | N9A | C8A | N7A | 179.8° | 180.0° |
| C1' | N9A | C8A | H8A | 0.1° | 0.1° |
| C1' | N9A | C4A | C5A | 179.9° | 179.9° |
| C1' | N9A | C4A | N3A | 1.5° | 0.9° |
| H1' | C1' | N9A | C8A | 171.3° | 146.6° |
| H1' | C1' | N9A | C4A | 7.7° | 33.8° |
| N9A | C8A | N7A | H8A | 179.9° | 179.9° |
| N9A | C8A | N7A | C5A | 0.2° | 0.0° |
| C8A | N9A | C4A | C5A | 0.8° | 0.5° |
| C8A | N9A | C4A | N3A | 179.3° | 179.5° |
| C4A | N9A | C8A | N7A | 0.6° | 0.3° |
| C4A | N9A | C8A | H8A | 179.3° | 179.8° |
| N9A | C4A | C5A | N7A | 0.7° | 0.4° |
| N9A | C4A | C5A | C6A | 179.1° | 179.8° |
| N9A | C4A | C5A | N3A | 178.7° | 179.2° |
| N9A | C4A | N3A | C2A | 179.7° | 179.6° |
| C8A | N7A | C5A | C6A | 179.5° | 179.9° |
| C8A | N7A | C5A | C4A | 0.3° | 0.3° |
| H8A | C8A | N7A | C5A | 179.7° | 179.9° |
| N7A | C5A | C6A | C4A | 179.7° | 179.6° |
| N7A | C5A | C6A | N6A | 0.2° | 0.1° |
| N7A | C5A | C6A | N1A | 179.2° | 180.0° |
| N7A | C5A | C4A | N3A | 179.3° | 179.6° |
| C5A | C6A | N6A | N1A | 179.4° | 179.9° |
| C5A | C6A | N6A | H6A1 | 179.9° | 0.1° |
| C5A | C6A | N6A | H6A2 | 54.7° | 180.0° |
| C5A | C6A | N1A | C2A | 1.6° | 0.1° |
| C6A | C5A | C4A | N3A | 0.4° | 0.7° |
| C4A | C5A | C6A | N6A | 179.9° | 179.7° |
| C4A | C5A | C6A | N1A | 0.5° | 0.4° |
| C5A | C4A | N3A | C2A | 1.3° | 0.7° |
| C6A | N6A | H6A1 | H6A2 | 125.4° | 179.9° |
| N6A | C6A | N1A | C2A | 179.0° | 180.0° |
| N1A | C6A | N6A | H6A1 | 0.7° | 180.0° |
| N1A | C6A | N6A | H6A2 | 124.7° | 0.1° |
| C6A | N1A | C2A | N3A | 2.7° | 0.1° |
| C6A | N1A | C2A | H2A | 177.3° | 179.9° |
| N1A | C2A | N3A | H2A | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 2.4° | 0.4° |
| H2A | C2A | N3A | C4A | 177.6° | 179.6° |
| OPP | PN | O1N | O2N | 124.6° | 120.0° |
| OPP | PN | O1N | O5B | 109.3° | 120.0° |
| OPP | PN | O2N | O5B | 112.0° | 119.9° |
| OPP | PN | O5B | C5B | 114.6° | 175.0° |
| O1N | PN | O2N | O5B | 124.6° | 120.0° |
| O1N | PN | O5B | C5B | 133.4° | 55.0° |
| O2N | PN | O5B | C5B | 1.4° | 65.0° |
| PN | O5B | C5B | C4B | 165.0° | 180.0° |
| PN | O5B | C5B | H5A1 | 69.8° | 60.0° |
| PN | O5B | C5B | H5A2 | 39.7° | 60.0° |
| O5B | C5B | C4B | H5A1 | 125.2° | 120.0° |
| O5B | C5B | C4B | H5A2 | 125.3° | 120.0° |
| O5B | C5B | H5A1 | H5A2 | 119.2° | 120.0° |
| O5B | C5B | C4B | O4B | 62.1° | 66.5° |
| O5B | C5B | C4B | C3B | 50.8° | 175.7° |
| O5B | C5B | C4B | H4B | 172.3° | 54.6° |
| C4B | C5B | H5A1 | H5A2 | 119.2° | 120.0° |
| C5B | C4B | O4B | C3B | 120.4° | 119.4° |
| C5B | C4B | O4B | H4B | 118.9° | 121.1° |
| C5B | C4B | C3B | H4B | 119.3° | 121.1° |
| C5B | C4B | O4B | C1B | 122.7° | 145.9° |
| C5B | C4B | C3B | O3B | 151.5° | 119.9° |
| C5B | C4B | C3B | C2B | 92.5° | 121.5° |
| C5B | C4B | C3B | H3B | 30.8° | 2.6° |
| H5A1 | C5B | C4B | O4B | 172.7° | 53.5° |
| H5A1 | C5B | C4B | C3B | 74.4° | 64.3° |
| H5A1 | C5B | C4B | H4B | 47.1° | 174.6° |
| H5A2 | C5B | C4B | O4B | 63.2° | 173.5° |
| H5A2 | C5B | C4B | C3B | 176.1° | 55.7° |
| H5A2 | C5B | C4B | H4B | 62.4° | 65.4° |
| O4B | C4B | C3B | H4B | 125.3° | 119.5° |
| O4B | C4B | C3B | O3B | 93.1° | 120.7° |
| O4B | C4B | C3B | C2B | 22.9° | 2.1° |
| O4B | C4B | C3B | H3B | 146.2° | 116.8° |
| C4B | O4B | C1B | C2B | 27.4° | 40.1° |
| C4B | O4B | C1B | N1N | 155.0° | 158.6° |
| C4B | O4B | C1B | H1B | 90.6° | 78.4° |
| C3B | C4B | O4B | C1B | 2.3° | 26.6° |
| C4B | C3B | O3B | C2B | 111.0° | 114.8° |
| C4B | C3B | O3B | H3B | 125.0° | 122.5° |
| C4B | C3B | C2B | H3B | 124.4° | 118.7° |
| C4B | C3B | O3B | HOA3 | 180.0° | 180.0° |
| C4B | C3B | C2B | O2B | 159.9° | 139.1° |
| C4B | C3B | C2B | C1B | 39.0° | 20.9° |
| C4B | C3B | C2B | H2B | 82.6° | 97.3° |
| H4B | C4B | O4B | C1B | 118.4° | 93.0° |
| H4B | C4B | C3B | O3B | 32.2° | 1.2° |
| H4B | C4B | C3B | C2B | 148.2° | 117.4° |
| H4B | C4B | C3B | H3B | 88.5° | 123.7° |
| O4B | C1B | C2B | C3B | 41.3° | 37.0° |
| O4B | C1B | C2B | O2B | 159.7° | 155.2° |
| O4B | C1B | C2B | N1N | 122.5° | 118.5° |
| O4B | C1B | C2B | H1B | 123.7° | 118.5° |
| O4B | C1B | C2B | H2B | 82.6° | 81.2° |
| O4B | C1B | N1N | H1B | 123.4° | 123.0° |
| O4B | C1B | N1N | C2N | 54.8° | 141.5° |
| O4B | C1B | N1N | C6N | 109.6° | 38.3° |
| O3B | C3B | C2B | H3B | 120.8° | 122.6° |
| O3B | C3B | C2B | O2B | 45.1° | 20.4° |
| O3B | C3B | C2B | C1B | 75.8° | 97.8° |
| O3B | C3B | C2B | H2B | 162.6° | 144.0° |
| C2B | C3B | O3B | HOA3 | 69.1° | 65.3° |
| C3B | C2B | O2B | C1B | 113.8° | 112.7° |
| C3B | C2B | O2B | H2B | 124.2° | 123.7° |
| C3B | C2B | C1B | H2B | 123.9° | 118.2° |
| C3B | C2B | O2B | HOB2 | 180.0° | 61.4° |
| C3B | C2B | C1B | N1N | 163.7° | 155.5° |
| C3B | C2B | C1B | H1B | 82.4° | 81.5° |
| H3B | C3B | O3B | HOA3 | 55.0° | 57.4° |
| H3B | C3B | C2B | O2B | 75.7° | 102.2° |
| H3B | C3B | C2B | C1B | 163.3° | 139.6° |
| H3B | C3B | C2B | H2B | 41.7° | 21.4° |
| O2B | C2B | C1B | H2B | 117.6° | 123.5° |
| O2B | C2B | C1B | N1N | 77.8° | 86.2° |
| O2B | C2B | C1B | H1B | 36.0° | 36.7° |
| C1B | C2B | O2B | HOB2 | 66.2° | 174.2° |
| C2B | C1B | N1N | H1B | 117.2° | 123.0° |
| C2B | C1B | N1N | C2N | 64.6° | 104.5° |
| C2B | C1B | N1N | C6N | 131.0° | 75.8° |
| H2B | C2B | O2B | HOB2 | 55.9° | 62.3° |
| H2B | C2B | C1B | N1N | 39.8° | 37.3° |
| H2B | C2B | C1B | H1B | 153.7° | 160.3° |
| C1B | N1N | C2N | C6N | 165.0° | 179.8° |
| C1B | N1N | C2N | C3N | 173.9° | 180.0° |
| C1B | N1N | C2N | H2N | 6.1° | 0.0° |
| C1B | N1N | C6N | C5N | 173.2° | 179.7° |
| C1B | N1N | C6N | H6N | 6.8° | 0.0° |
| H1B | C1B | N1N | C2N | 178.2° | 18.5° |
| H1B | C1B | N1N | C6N | 13.8° | 161.2° |
| N1N | C2N | C3N | H2N | 180.0° | 180.0° |
| N1N | C2N | C3N | C7N | 172.4° | 180.0° |
| N1N | C2N | C3N | C4N | 8.0° | 0.0° |
| C2N | N1N | C6N | C5N | 21.3° | 0.5° |
| C2N | N1N | C6N | H6N | 158.8° | 179.7° |
| C6N | N1N | C2N | C3N | 21.1° | 0.2° |
| C6N | N1N | C2N | H2N | 158.9° | 179.8° |
| N1N | C6N | C5N | C4N | 8.0° | 0.5° |
| N1N | C6N | C5N | H6N | 179.9° | 179.8° |
| N1N | C6N | C5N | H5N | 172.0° | 179.7° |
| C2N | C3N | C7N | C4N | 179.7° | 180.0° |
| C2N | C3N | C7N | O7N | 173.3° | 143.2° |
| C2N | C3N | C7N | N7N | 6.7° | 36.8° |
| C2N | C3N | C4N | C5N | 33.4° | 0.1° |
| C2N | C3N | C4N | CC6 | 88.9° | 179.9° |
| H2N | C2N | C3N | C7N | 7.6° | 0.0° |
| H2N | C2N | C3N | C4N | 172.0° | 180.0° |
| C3N | C7N | O7N | N7N | 179.9° | 180.0° |
| C3N | C7N | N7N | H7N1 | 0.1° | 0.0° |
| C3N | C7N | N7N | H7N2 | 180.0° | 180.0° |
| C7N | C3N | C4N | C5N | 146.9° | 180.0° |
| C7N | C3N | C4N | CC6 | 90.8° | 0.0° |
| C4N | C3N | C7N | O7N | 7.0° | 36.8° |
| C4N | C3N | C7N | N7N | 172.9° | 143.3° |
| C3N | C4N | C5N | CC6 | 122.4° | 180.0° |
| C3N | C4N | C5N | C6N | 33.3° | 0.2° |
| C3N | C4N | C5N | H5N | 146.8° | 180.0° |
| C3N | C4N | CC6 | CC1 | 166.2° | 125.7° |
| C3N | C4N | CC6 | CC5 | 47.9° | 114.9° |
| C3N | C4N | CC6 | HC6 | 73.5° | 5.4° |
| O7N | C7N | N7N | H7N1 | 180.0° | 180.0° |
| O7N | C7N | N7N | H7N2 | 0.0° | 0.1° |
| C7N | N7N | H7N1 | H7N2 | 180.0° | 179.9° |
| C4N | C5N | C6N | H5N | 180.0° | 179.8° |
| C4N | C5N | C6N | H6N | 171.9° | 179.8° |
| C5N | C4N | CC6 | CC1 | 74.2° | 54.3° |
| C5N | C4N | CC6 | CC5 | 167.5° | 65.1° |
| C5N | C4N | CC6 | HC6 | 46.1° | 174.6° |
| CC6 | C4N | C5N | C6N | 89.1° | 179.8° |
| CC6 | C4N | C5N | H5N | 90.9° | 0.0° |
| C4N | CC6 | CC1 | OC1 | 36.8° | 8.9° |
| C4N | CC6 | CC1 | CC2 | 170.2° | 170.8° |
| C4N | CC6 | CC1 | CC5 | 120.7° | 119.8° |
| C4N | CC6 | CC1 | HC6 | 117.9° | 120.4° |
| C4N | CC6 | CC5 | CC4 | 174.4° | 174.2° |
| C4N | CC6 | CC5 | HC6 | 117.9° | 120.4° |
| C4N | CC6 | CC5 | HC51 | 49.2° | 65.7° |
| C4N | CC6 | CC5 | HC52 | 60.3° | 54.3° |
| H5N | C5N | C6N | H6N | 8.0° | 0.1° |
| OC1 | CC1 | CC2 | CC6 | 153.4° | 179.7° |
| OC1 | CC1 | CC2 | CC3 | 170.8° | 128.6° |
| OC1 | CC1 | CC2 | HC21 | 63.9° | 111.7° |
| OC1 | CC1 | CC2 | HC22 | 45.5° | 8.9° |
| OC1 | CC1 | CC6 | CC5 | 157.5° | 128.7° |
| OC1 | CC1 | CC6 | HC6 | 81.0° | 111.5° |
| CC1 | CC2 | CC3 | HC21 | 125.2° | 119.8° |
| CC1 | CC2 | CC3 | HC22 | 125.3° | 119.7° |
| CC1 | CC2 | HC21 | HC22 | 115.1° | 120.5° |
| CC1 | CC2 | CC3 | CC4 | 32.6° | 54.6° |
| CC1 | CC2 | CC3 | HC31 | 157.8° | 174.6° |
| CC1 | CC2 | CC3 | HC32 | 92.7° | 65.4° |
| CC2 | CC1 | CC6 | CC5 | 49.5° | 51.0° |
| CC2 | CC1 | CC6 | HC6 | 71.9° | 68.8° |
| CC6 | CC1 | CC2 | CC3 | 35.8° | 51.1° |
| CC6 | CC1 | CC2 | HC21 | 89.4° | 68.7° |
| CC6 | CC1 | CC2 | HC22 | 161.1° | 170.8° |
| CC1 | CC6 | CC5 | CC4 | 63.8° | 54.3° |
| CC1 | CC6 | CC5 | HC6 | 120.4° | 119.8° |
| CC1 | CC6 | CC5 | HC51 | 170.9° | 174.5° |
| CC1 | CC6 | CC5 | HC52 | 61.5° | 65.6° |
| CC3 | CC2 | HC21 | HC22 | 115.2° | 120.4° |
| CC2 | CC3 | CC4 | HC31 | 125.2° | 120.0° |
| CC2 | CC3 | CC4 | HC32 | 125.3° | 120.0° |
| CC2 | CC3 | HC31 | HC32 | 116.1° | 120.0° |
| CC2 | CC3 | CC4 | CC5 | 45.6° | 63.6° |
| CC2 | CC3 | CC4 | HC41 | 79.7° | 56.5° |
| CC2 | CC3 | CC4 | HC42 | 170.9° | 176.3° |
| HC21 | CC2 | CC3 | CC4 | 92.6° | 65.1° |
| HC21 | CC2 | CC3 | HC31 | 32.6° | 54.9° |
| HC21 | CC2 | CC3 | HC32 | 142.1° | 174.9° |
| HC22 | CC2 | CC3 | CC4 | 157.9° | 174.3° |
| HC22 | CC2 | CC3 | HC31 | 76.8° | 65.7° |
| HC22 | CC2 | CC3 | HC32 | 32.6° | 54.3° |
| CC4 | CC3 | HC31 | HC32 | 116.1° | 120.1° |
| CC3 | CC4 | CC5 | HC41 | 125.3° | 120.1° |
| CC3 | CC4 | CC5 | HC42 | 125.3° | 120.1° |
| CC3 | CC4 | HC41 | HC42 | 117.9° | 119.8° |
| CC3 | CC4 | CC5 | CC6 | 63.3° | 63.4° |
| CC3 | CC4 | CC5 | HC51 | 171.4° | 176.4° |
| CC3 | CC4 | CC5 | HC52 | 61.9° | 56.4° |
| HC31 | CC3 | CC4 | CC5 | 170.8° | 176.5° |
| HC31 | CC3 | CC4 | HC41 | 45.6° | 63.5° |
| HC31 | CC3 | CC4 | HC42 | 63.9° | 56.3° |
| HC32 | CC3 | CC4 | CC5 | 79.7° | 56.4° |
| HC32 | CC3 | CC4 | HC41 | 155.0° | 176.5° |
| HC32 | CC3 | CC4 | HC42 | 45.6° | 63.7° |
| CC5 | CC4 | HC41 | HC42 | 117.8° | 119.8° |
| CC4 | CC5 | CC6 | HC51 | 125.3° | 120.1° |
| CC4 | CC5 | CC6 | HC52 | 125.3° | 119.9° |
| CC4 | CC5 | HC51 | HC52 | 117.6° | 120.0° |
| CC4 | CC5 | CC6 | HC6 | 56.5° | 65.4° |
| HC41 | CC4 | CC5 | CC6 | 61.9° | 56.7° |
| HC41 | CC4 | CC5 | HC51 | 63.3° | 63.5° |
| HC41 | CC4 | CC5 | HC52 | 172.8° | 176.5° |
| HC42 | CC4 | CC5 | CC6 | 171.4° | 176.4° |
| HC42 | CC4 | CC5 | HC51 | 46.1° | 56.3° |
| HC42 | CC4 | CC5 | HC52 | 63.4° | 63.8° |
| CC6 | CC5 | HC51 | HC52 | 117.6° | 119.8° |
| HC51 | CC5 | CC6 | HC6 | 68.7° | 54.7° |
| HC52 | CC5 | CC6 | HC6 | 178.2° | 174.6° |
