UAG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.35Å | 1.36Å | |
| C6 | N1 | sing | 1.37Å | 1.38Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | sing | 1.42Å | 1.46Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | N3 | sing | 1.35Å | 1.39Å | |
| N3 | C2 | sing | 1.35Å | 1.41Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| C2 | N1 | sing | 1.34Å | 1.41Å | |
| N1 | C1B | sing | 1.47Å | 1.50Å | |
| C1B | C2B | sing | 1.55Å | 1.54Å | |
| C1B | O4B | sing | 1.44Å | 1.43Å | |
| C1B | H1B | sing | 1.09Å | 1.12Å | |
| C2B | O2' | sing | 1.43Å | 1.43Å | |
| C2B | C3B | sing | 1.55Å | 1.53Å | |
| C2B | H2B | sing | 1.09Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.45Å | |
| C3B | C4B | sing | 1.54Å | 1.56Å | |
| C3B | H3B | sing | 1.09Å | 1.11Å | |
| O3B | HO'3 | sing | 0.97Å | 0.95Å | |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| C4B | C5B | sing | 1.53Å | 1.50Å | |
| C4B | H4B | sing | 1.09Å | 1.12Å | |
| C5B | O5B | sing | 1.43Å | 1.41Å | |
| C5B | H5'1 | sing | 1.09Å | 1.11Å | |
| C5B | H5'2 | sing | 1.09Å | 1.12Å | |
| O5B | PA | sing | 1.61Å | 1.60Å | |
| PA | O1A | doub | 1.48Å | 1.52Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.65Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.69Å | |
| PB | O1B | doub | 1.48Å | 1.49Å | |
| PB | O2B | sing | 1.61Å | 1.47Å | |
| PB | O1' | sing | 1.61Å | 1.60Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| C1' | O1' | sing | 1.43Å | 1.42Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | N2' | sing | 1.46Å | 1.46Å | |
| C2' | C3' | sing | 1.53Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| N2' | C7' | sing | 1.35Å | 1.33Å | |
| N2' | HN2' | sing | 0.97Å | 1.02Å | |
| C7' | O7' | doub | 1.21Å | 1.24Å | |
| C7' | C8' | sing | 1.51Å | 1.53Å | |
| C8' | H8'1 | sing | 1.09Å | 1.11Å | |
| C8' | H8'2 | sing | 1.09Å | 1.12Å | |
| C8' | H8'3 | sing | 1.09Å | 1.11Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | C18 | sing | 1.43Å | 1.45Å | |
| C4' | O4' | sing | 1.43Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | HO4' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.47Å | |
| C5' | C6' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C6' | O6' | sing | 1.43Å | 1.43Å | |
| C6' | H6'1 | sing | 1.09Å | 1.11Å | |
| C6' | H6'2 | sing | 1.09Å | 1.11Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C18 | H18 | sing | 1.09Å | 1.12Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C19 | O18 | doub | 1.21Å | 1.24Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C21 | sing | 1.47Å | 1.45Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H21 | sing | 1.09Å | 1.11Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C22 | O19 | doub | 1.21Å | 1.24Å | |
| C22 | N5 | sing | 1.35Å | 1.33Å | |
| N5 | C24 | sing | 1.46Å | 1.45Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C28 | sing | 1.51Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | O20 | doub | 1.21Å | 1.25Å | |
| C27 | O21 | sing | 1.34Å | 1.24Å | |
| O21 | HO1 | sing | 0.97Å | 0.95Å | |
| C28 | O22 | doub | 1.21Å | 1.25Å | |
| C28 | O23 | sing | 1.34Å | 1.24Å | |
| O23 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | N1 | 122.3° | 119.7° |
| C5 | C6 | H6 | 117.9° | 120.2° |
| C6 | C5 | C4 | 120.7° | 119.2° |
| C6 | C5 | H5 | 116.1° | 120.5° |
| N1 | C6 | H6 | 119.8° | 120.2° |
| C6 | N1 | C2 | 120.8° | 120.7° |
| C6 | N1 | C1B | 123.0° | 119.7° |
| C4 | C5 | H5 | 123.1° | 120.4° |
| C5 | C4 | O4 | 127.4° | 120.4° |
| C5 | C4 | N3 | 113.9° | 119.4° |
| O4 | C4 | N3 | 118.6° | 120.3° |
| C4 | N3 | C2 | 126.5° | 120.3° |
| C4 | N3 | HN3 | 115.8° | 119.9° |
| C2 | N3 | HN3 | 117.7° | 119.9° |
| N3 | C2 | O2 | 121.0° | 119.5° |
| N3 | C2 | N1 | 114.9° | 120.9° |
| O2 | C2 | N1 | 124.0° | 119.6° |
| C2 | N1 | C1B | 116.0° | 119.7° |
| N1 | C1B | C2B | 113.4° | 110.8° |
| N1 | C1B | O4B | 107.0° | 110.6° |
| N1 | C1B | H1B | 106.7° | 110.6° |
| C2B | C1B | O4B | 103.2° | 103.5° |
| C2B | C1B | H1B | 110.2° | 110.6° |
| C1B | C2B | O2' | 113.9° | 110.9° |
| C1B | C2B | C3B | 105.4° | 102.1° |
| C1B | C2B | H2B | 109.7° | 110.9° |
| O4B | C1B | H1B | 116.4° | 110.6° |
| C1B | O4B | C4B | 110.8° | 107.0° |
| O2' | C2B | C3B | 110.6° | 110.8° |
| O2' | C2B | H2B | 104.4° | 110.7° |
| C2B | O2' | HO'2 | 113.9° | 106.8° |
| C3B | C2B | H2B | 113.0° | 111.0° |
| C2B | C3B | O3B | 106.5° | 110.5° |
| C2B | C3B | C4B | 100.4° | 104.0° |
| C2B | C3B | H3B | 117.4° | 110.5° |
| O3B | C3B | C4B | 110.8° | 110.7° |
| O3B | C3B | H3B | 108.0° | 110.4° |
| C3B | O3B | HO'3 | 106.5° | 106.8° |
| C4B | C3B | H3B | 113.5° | 110.5° |
| C3B | C4B | O4B | 107.8° | 107.4° |
| C3B | C4B | C5B | 115.6° | 109.9° |
| C3B | C4B | H4B | 105.9° | 109.8° |
| O4B | C4B | C5B | 107.9° | 109.9° |
| O4B | C4B | H4B | 114.0° | 110.0° |
| C5B | C4B | H4B | 105.9° | 109.9° |
| C4B | C5B | O5B | 107.0° | 109.4° |
| C4B | C5B | H5'1 | 113.1° | 109.5° |
| C4B | C5B | H5'2 | 113.1° | 109.4° |
| O5B | C5B | H5'1 | 113.1° | 109.5° |
| O5B | C5B | H5'2 | 113.1° | 109.5° |
| C5B | O5B | PA | 117.6° | 106.8° |
| H5'1 | C5B | H5'2 | 97.4° | 109.5° |
| O5B | PA | O1A | 106.5° | 109.5° |
| O5B | PA | O2A | 107.6° | 109.4° |
| O5B | PA | O3A | 102.1° | 109.5° |
| O1A | PA | O2A | 119.9° | 109.5° |
| O1A | PA | O3A | 110.2° | 109.5° |
| O2A | PA | O3A | 108.9° | 109.5° |
| PA | O2A | HOA2 | 107.6° | 106.9° |
| PA | O3A | PB | 126.1° | 106.8° |
| O3A | PB | O1B | 113.5° | 109.5° |
| O3A | PB | O2B | 109.9° | 109.5° |
| O3A | PB | O1' | 93.5° | 109.5° |
| O1B | PB | O2B | 118.4° | 109.5° |
| O1B | PB | O1' | 107.6° | 109.4° |
| O2B | PB | O1' | 111.1° | 109.4° |
| PB | O2B | HOB2 | 109.8° | 106.8° |
| PB | O1' | C1' | 121.2° | 106.8° |
| O1' | C1' | C2' | 109.7° | 109.2° |
| O1' | C1' | O5' | 107.9° | 109.5° |
| O1' | C1' | H1' | 111.0° | 109.5° |
| C2' | C1' | O5' | 111.3° | 109.9° |
| C2' | C1' | H1' | 107.6° | 109.4° |
| C1' | C2' | N2' | 109.2° | 109.6° |
| C1' | C2' | C3' | 107.5° | 109.0° |
| C1' | C2' | H2' | 111.7° | 109.5° |
| O5' | C1' | H1' | 109.4° | 109.4° |
| C1' | O5' | C5' | 114.4° | 107.7° |
| N2' | C2' | C3' | 111.8° | 109.9° |
| N2' | C2' | H2' | 107.5° | 109.6° |
| C2' | N2' | C7' | 121.0° | 120.0° |
| C2' | N2' | HN2' | 124.0° | 120.0° |
| C3' | C2' | H2' | 109.2° | 109.3° |
| C2' | C3' | O3' | 112.0° | 109.6° |
| C2' | C3' | C4' | 108.3° | 108.9° |
| C2' | C3' | H3' | 108.1° | 109.6° |
| C7' | N2' | HN2' | 115.0° | 120.0° |
| N2' | C7' | O7' | 122.9° | 119.9° |
| N2' | C7' | C8' | 117.0° | 120.0° |
| O7' | C7' | C8' | 119.7° | 120.1° |
| C7' | C8' | H8'1 | 117.0° | 109.4° |
| C7' | C8' | H8'2 | 109.5° | 109.4° |
| C7' | C8' | H8'3 | 109.5° | 109.5° |
| H8'1 | C8' | H8'2 | 109.5° | 109.5° |
| H8'1 | C8' | H8'3 | 109.5° | 109.5° |
| H8'2 | C8' | H8'3 | 100.6° | 109.6° |
| O3' | C3' | C4' | 108.0° | 109.6° |
| O3' | C3' | H3' | 108.4° | 109.6° |
| C3' | O3' | C18 | 128.5° | 106.8° |
| C4' | C3' | H3' | 112.1° | 109.6° |
| C3' | C4' | O4' | 109.5° | 109.6° |
| C3' | C4' | C5' | 110.8° | 109.0° |
| C3' | C4' | H4' | 108.8° | 109.6° |
| O3' | C18 | C20 | 114.7° | 109.5° |
| O3' | C18 | C19 | 115.7° | 109.5° |
| O3' | C18 | H18 | 107.8° | 109.5° |
| O4' | C4' | C5' | 110.2° | 109.6° |
| O4' | C4' | H4' | 109.4° | 109.6° |
| C4' | O4' | HO4' | 109.5° | 106.8° |
| C5' | C4' | H4' | 108.1° | 109.5° |
| C4' | C5' | O5' | 110.4° | 109.8° |
| C4' | C5' | C6' | 110.4° | 109.4° |
| C4' | C5' | H5' | 107.2° | 109.4° |
| O5' | C5' | C6' | 106.3° | 109.4° |
| O5' | C5' | H5' | 111.3° | 109.4° |
| C6' | C5' | H5' | 111.3° | 109.5° |
| C5' | C6' | O6' | 111.2° | 109.5° |
| C5' | C6' | H6'1 | 111.6° | 109.5° |
| C5' | C6' | H6'2 | 111.6° | 109.4° |
| O6' | C6' | H6'1 | 111.6° | 109.5° |
| O6' | C6' | H6'2 | 111.6° | 109.4° |
| C6' | O6' | HO6' | 111.1° | 106.9° |
| H6'1 | C6' | H6'2 | 98.8° | 109.5° |
| C20 | C18 | C19 | 122.0° | 109.5° |
| C20 | C18 | H18 | 96.2° | 109.5° |
| C18 | C20 | H201 | 114.6° | 109.5° |
| C18 | C20 | H202 | 110.4° | 109.5° |
| C18 | C20 | H203 | 110.3° | 109.5° |
| C19 | C18 | H18 | 94.3° | 109.4° |
| C18 | C19 | O18 | 121.4° | 120.1° |
| C18 | C19 | N4 | 112.0° | 120.0° |
| H201 | C20 | H202 | 110.3° | 109.5° |
| H201 | C20 | H203 | 110.2° | 109.4° |
| H202 | C20 | H203 | 100.0° | 109.5° |
| O18 | C19 | N4 | 125.1° | 119.9° |
| C19 | N4 | C21 | 123.7° | 120.0° |
| C19 | N4 | HN4 | 113.4° | 119.9° |
| C21 | N4 | HN4 | 122.9° | 120.0° |
| N4 | C21 | C23 | 111.7° | 109.5° |
| N4 | C21 | C22 | 113.1° | 109.5° |
| N4 | C21 | H21 | 105.8° | 109.5° |
| C23 | C21 | C22 | 110.9° | 109.5° |
| C23 | C21 | H21 | 108.3° | 109.5° |
| C21 | C23 | H231 | 111.6° | 109.5° |
| C21 | C23 | H232 | 111.4° | 109.5° |
| C21 | C23 | H233 | 111.4° | 109.5° |
| C22 | C21 | H21 | 106.7° | 109.4° |
| C21 | C22 | O19 | 120.1° | 120.0° |
| C21 | C22 | N5 | 116.1° | 120.0° |
| H231 | C23 | H232 | 111.5° | 109.5° |
| H231 | C23 | H233 | 111.4° | 109.4° |
| H232 | C23 | H233 | 99.0° | 109.4° |
| O19 | C22 | N5 | 123.4° | 120.0° |
| C22 | N5 | C24 | 119.4° | 120.0° |
| C22 | N5 | HN5 | 116.2° | 120.0° |
| C24 | N5 | HN5 | 124.4° | 120.0° |
| N5 | C24 | C25 | 114.1° | 109.5° |
| N5 | C24 | C28 | 113.4° | 109.4° |
| N5 | C24 | H24 | 104.3° | 109.5° |
| C25 | C24 | C28 | 112.5° | 109.5° |
| C25 | C24 | H24 | 105.4° | 109.5° |
| C24 | C25 | C26 | 110.8° | 109.4° |
| C24 | C25 | H251 | 111.7° | 109.5° |
| C24 | C25 | H252 | 111.7° | 109.5° |
| C28 | C24 | H24 | 106.2° | 109.4° |
| C24 | C28 | O22 | 119.0° | 120.0° |
| C24 | C28 | O23 | 116.6° | 120.0° |
| C26 | C25 | H251 | 111.7° | 109.4° |
| C26 | C25 | H252 | 111.7° | 109.4° |
| C25 | C26 | C27 | 113.7° | 109.5° |
| C25 | C26 | H261 | 110.7° | 109.5° |
| C25 | C26 | H262 | 110.7° | 109.5° |
| H251 | C25 | H252 | 98.7° | 109.5° |
| C27 | C26 | H261 | 110.6° | 109.4° |
| C27 | C26 | H262 | 110.6° | 109.5° |
| C26 | C27 | O20 | 119.4° | 120.0° |
| C26 | C27 | O21 | 117.2° | 120.0° |
| H261 | C26 | H262 | 99.6° | 109.4° |
| O20 | C27 | O21 | 123.3° | 120.0° |
| C27 | O21 | HO1 | 117.2° | 120.0° |
| O22 | C28 | O23 | 123.9° | 120.0° |
| C28 | O23 | HO3 | 116.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | N1 | H6 | 180.0° | 179.9° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 172.0° | 180.0° |
| C6 | C5 | C4 | N3 | 5.9° | 0.0° |
| C5 | C6 | N1 | C2 | 3.1° | 0.3° |
| C5 | C6 | N1 | C1B | 178.6° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.0° |
| N1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 0.7° | 0.5° |
| C6 | N1 | C2 | O2 | 178.7° | 180.0° |
| C6 | N1 | C2 | C1B | 175.8° | 179.7° |
| C6 | N1 | C1B | C2B | 64.6° | 124.4° |
| C6 | N1 | C1B | O4B | 48.6° | 121.4° |
| C6 | N1 | C1B | H1B | 173.8° | 1.4° |
| H6 | C6 | C5 | C4 | 179.7° | 180.0° |
| H6 | C6 | C5 | H5 | 0.3° | 0.1° |
| H6 | C6 | N1 | C2 | 176.9° | 179.8° |
| H6 | C6 | N1 | C1B | 1.4° | 0.1° |
| C5 | C4 | O4 | N3 | 177.8° | 179.9° |
| C5 | C4 | N3 | C2 | 10.3° | 0.2° |
| C5 | C4 | N3 | HN3 | 169.6° | 180.0° |
| H5 | C5 | C4 | O4 | 8.0° | 0.0° |
| H5 | C5 | C4 | N3 | 174.1° | 180.0° |
| O4 | C4 | N3 | C2 | 167.8° | 179.8° |
| O4 | C4 | N3 | HN3 | 12.3° | 0.1° |
| C4 | N3 | C2 | HN3 | 180.0° | 179.8° |
| C4 | N3 | C2 | O2 | 174.0° | 180.0° |
| C4 | N3 | C2 | N1 | 7.9° | 0.4° |
| N3 | C2 | O2 | N1 | 177.9° | 179.6° |
| N3 | C2 | N1 | C1B | 175.1° | 179.8° |
| HN3 | N3 | C2 | O2 | 6.0° | 0.2° |
| HN3 | N3 | C2 | N1 | 172.1° | 179.7° |
| O2 | C2 | N1 | C1B | 2.9° | 0.2° |
| C2 | N1 | C1B | C2B | 111.1° | 55.9° |
| C2 | N1 | C1B | O4B | 135.7° | 58.3° |
| C2 | N1 | C1B | H1B | 10.5° | 178.9° |
| N1 | C1B | C2B | O4B | 115.5° | 118.6° |
| N1 | C1B | C2B | H1B | 119.6° | 123.0° |
| N1 | C1B | O4B | H1B | 119.2° | 122.8° |
| N1 | C1B | C2B | O2' | 88.0° | 86.2° |
| N1 | C1B | C2B | C3B | 150.5° | 155.7° |
| N1 | C1B | C2B | H2B | 28.6° | 37.4° |
| N1 | C1B | O4B | C4B | 142.8° | 158.8° |
| C2B | C1B | O4B | H1B | 120.9° | 118.5° |
| C1B | C2B | O2' | C3B | 118.5° | 112.7° |
| C1B | C2B | O2' | H2B | 119.7° | 123.6° |
| C1B | C2B | C3B | H2B | 119.8° | 118.3° |
| C1B | C2B | O2' | HO'2 | 180.0° | 179.9° |
| C1B | C2B | C3B | O3B | 83.1° | 97.9° |
| C1B | C2B | C3B | C4B | 32.4° | 21.0° |
| C1B | C2B | C3B | H3B | 155.8° | 139.5° |
| C2B | C1B | O4B | C4B | 22.8° | 40.1° |
| O4B | C1B | C2B | O2' | 156.5° | 155.2° |
| O4B | C1B | C2B | C3B | 35.1° | 37.1° |
| O4B | C1B | C2B | H2B | 86.9° | 81.2° |
| C1B | O4B | C4B | C3B | 2.4° | 26.4° |
| C1B | O4B | C4B | C5B | 127.9° | 145.9° |
| C1B | O4B | C4B | H4B | 114.8° | 93.0° |
| H1B | C1B | C2B | O2' | 31.5° | 36.8° |
| H1B | C1B | C2B | C3B | 89.9° | 81.3° |
| H1B | C1B | C2B | H2B | 148.2° | 160.3° |
| H1B | C1B | O4B | C4B | 98.1° | 78.4° |
| O2' | C2B | C3B | H2B | 116.7° | 123.5° |
| O2' | C2B | C3B | O3B | 40.4° | 20.3° |
| O2' | C2B | C3B | C4B | 155.9° | 139.2° |
| O2' | C2B | C3B | H3B | 80.7° | 102.3° |
| C3B | C2B | O2' | HO'2 | 61.5° | 67.3° |
| C2B | C3B | O3B | C4B | 108.3° | 114.7° |
| C2B | C3B | O3B | H3B | 126.9° | 122.6° |
| C2B | C3B | C4B | H3B | 126.1° | 118.6° |
| C2B | C3B | O3B | HO'3 | 180.0° | 61.5° |
| C2B | C3B | C4B | O4B | 19.1° | 1.9° |
| C2B | C3B | C4B | C5B | 101.6° | 121.4° |
| C2B | C3B | C4B | H4B | 141.5° | 117.6° |
| H2B | C2B | O2' | HO'2 | 60.4° | 56.3° |
| H2B | C2B | C3B | O3B | 157.1° | 143.8° |
| H2B | C2B | C3B | C4B | 87.4° | 97.3° |
| H2B | C2B | C3B | H3B | 36.0° | 21.2° |
| O3B | C3B | C4B | H3B | 121.7° | 122.7° |
| O3B | C3B | C4B | O4B | 93.2° | 120.7° |
| O3B | C3B | C4B | C5B | 146.1° | 119.9° |
| O3B | C3B | C4B | H4B | 29.2° | 1.1° |
| C4B | C3B | O3B | HO'3 | 71.7° | 176.2° |
| C3B | C4B | O4B | C5B | 125.5° | 119.5° |
| C3B | C4B | O4B | H4B | 117.2° | 119.5° |
| C3B | C4B | C5B | H4B | 116.9° | 121.0° |
| C3B | C4B | C5B | O5B | 61.3° | 179.7° |
| C3B | C4B | C5B | H5'1 | 173.4° | 59.7° |
| C3B | C4B | C5B | H5'2 | 63.9° | 60.3° |
| H3B | C3B | O3B | HO'3 | 53.1° | 61.1° |
| H3B | C3B | C4B | O4B | 145.2° | 116.7° |
| H3B | C3B | C4B | C5B | 24.5° | 2.8° |
| H3B | C3B | C4B | H4B | 92.4° | 123.8° |
| O4B | C4B | C5B | H4B | 122.4° | 121.1° |
| O4B | C4B | C5B | O5B | 59.3° | 61.8° |
| O4B | C4B | C5B | H5'1 | 65.9° | 58.2° |
| O4B | C4B | C5B | H5'2 | 175.4° | 178.3° |
| C4B | C5B | O5B | H5'1 | 125.3° | 120.0° |
| C4B | C5B | O5B | H5'2 | 125.2° | 119.9° |
| C4B | C5B | H5'1 | H5'2 | 119.0° | 120.0° |
| C4B | C5B | O5B | PA | 161.6° | 180.0° |
| H4B | C4B | C5B | O5B | 178.2° | 59.4° |
| H4B | C4B | C5B | H5'1 | 56.5° | 179.3° |
| H4B | C4B | C5B | H5'2 | 53.0° | 60.6° |
| O5B | C5B | H5'1 | H5'2 | 119.1° | 120.1° |
| C5B | O5B | PA | O1A | 158.7° | 60.0° |
| C5B | O5B | PA | O2A | 71.5° | 60.0° |
| C5B | O5B | PA | O3A | 43.1° | 180.0° |
| H5'1 | C5B | O5B | PA | 36.4° | 60.0° |
| H5'2 | C5B | O5B | PA | 73.1° | 60.0° |
| O5B | PA | O1A | O2A | 122.3° | 119.9° |
| O5B | PA | O1A | O3A | 110.0° | 120.0° |
| O5B | PA | O2A | O3A | 110.0° | 120.0° |
| O5B | PA | O2A | HOA2 | 180.0° | 60.0° |
| O5B | PA | O3A | PB | 151.1° | 180.0° |
| O1A | PA | O2A | O3A | 128.2° | 120.0° |
| O1A | PA | O2A | HOA2 | 58.2° | 180.0° |
| O1A | PA | O3A | PB | 96.0° | 60.0° |
| O2A | PA | O3A | PB | 37.4° | 60.0° |
| O3A | PA | O2A | HOA2 | 70.0° | 60.0° |
| PA | O3A | PB | O1B | 93.4° | 60.0° |
| PA | O3A | PB | O2B | 41.8° | 60.0° |
| PA | O3A | PB | O1' | 155.7° | 180.0° |
| O3A | PB | O1B | O2B | 131.0° | 120.0° |
| O3A | PB | O1B | O1' | 102.0° | 120.0° |
| O3A | PB | O2B | O1' | 102.1° | 120.0° |
| O3A | PB | O2B | HOB2 | 180.0° | 60.0° |
| O3A | PB | O1' | C1' | 71.1° | 180.0° |
| O1B | PB | O2B | O1' | 125.3° | 120.0° |
| O1B | PB | O2B | HOB2 | 47.4° | 180.0° |
| O1B | PB | O1' | C1' | 172.9° | 60.0° |
| O2B | PB | O1' | C1' | 41.7° | 60.0° |
| O1' | PB | O2B | HOB2 | 77.9° | 60.0° |
| PB | O1' | C1' | C2' | 140.1° | 149.6° |
| PB | O1' | C1' | O5' | 98.4° | 90.1° |
| PB | O1' | C1' | H1' | 21.4° | 29.9° |
| O1' | C1' | C2' | O5' | 119.3° | 120.1° |
| O1' | C1' | C2' | H1' | 120.8° | 119.8° |
| O1' | C1' | O5' | H1' | 120.8° | 120.0° |
| O1' | C1' | C2' | N2' | 61.3° | 61.1° |
| O1' | C1' | C2' | C3' | 60.1° | 59.1° |
| O1' | C1' | C2' | H2' | 179.9° | 178.7° |
| O1' | C1' | O5' | C5' | 63.0° | 52.4° |
| C2' | C1' | O5' | H1' | 118.8° | 120.1° |
| C1' | C2' | N2' | C3' | 118.8° | 119.7° |
| C1' | C2' | N2' | H2' | 121.4° | 120.2° |
| C1' | C2' | C3' | H2' | 121.4° | 119.7° |
| C1' | C2' | N2' | C7' | 102.4° | 90.0° |
| C1' | C2' | N2' | HN2' | 77.6° | 90.0° |
| C1' | C2' | C3' | O3' | 179.0° | 173.3° |
| C1' | C2' | C3' | C4' | 60.0° | 53.4° |
| C1' | C2' | C3' | H3' | 61.7° | 66.4° |
| C2' | C1' | O5' | C5' | 57.4° | 67.6° |
| O5' | C1' | C2' | N2' | 179.3° | 178.8° |
| O5' | C1' | C2' | C3' | 59.3° | 61.0° |
| O5' | C1' | C2' | H2' | 60.6° | 58.6° |
| C1' | O5' | C5' | C4' | 54.0° | 67.7° |
| C1' | O5' | C5' | C6' | 173.8° | 172.3° |
| C1' | O5' | C5' | H5' | 64.9° | 52.4° |
| H1' | C1' | C2' | N2' | 59.5° | 58.6° |
| H1' | C1' | C2' | C3' | 179.1° | 178.9° |
| H1' | C1' | C2' | H2' | 59.3° | 61.6° |
| H1' | C1' | O5' | C5' | 176.2° | 172.3° |
| N2' | C2' | C3' | H2' | 118.8° | 120.3° |
| C2' | N2' | C7' | HN2' | 180.0° | 180.0° |
| C2' | N2' | C7' | O7' | 13.2° | 0.0° |
| C2' | N2' | C7' | C8' | 173.6° | 180.0° |
| N2' | C2' | C3' | O3' | 61.1° | 66.6° |
| N2' | C2' | C3' | C4' | 179.8° | 173.5° |
| N2' | C2' | C3' | H3' | 58.2° | 53.6° |
| C3' | C2' | N2' | C7' | 138.8° | 150.3° |
| C3' | C2' | N2' | HN2' | 41.2° | 29.7° |
| C2' | C3' | O3' | C4' | 119.2° | 119.4° |
| C2' | C3' | O3' | H3' | 119.1° | 120.3° |
| C2' | C3' | C4' | H3' | 119.2° | 119.8° |
| C2' | C3' | O3' | C18 | 89.4° | 101.8° |
| C2' | C3' | C4' | O4' | 179.2° | 173.6° |
| C2' | C3' | C4' | C5' | 59.0° | 53.6° |
| C2' | C3' | C4' | H4' | 59.7° | 66.2° |
| H2' | C2' | N2' | C7' | 19.0° | 30.2° |
| H2' | C2' | N2' | HN2' | 161.0° | 149.8° |
| H2' | C2' | C3' | O3' | 57.6° | 53.6° |
| H2' | C2' | C3' | C4' | 61.4° | 66.2° |
| H2' | C2' | C3' | H3' | 176.9° | 173.9° |
| N2' | C7' | O7' | C8' | 173.0° | 180.0° |
| N2' | C7' | C8' | H8'1 | 180.0° | 180.0° |
| N2' | C7' | C8' | H8'2 | 54.7° | 60.1° |
| N2' | C7' | C8' | H8'3 | 54.7° | 60.0° |
| HN2' | N2' | C7' | O7' | 166.7° | 180.0° |
| HN2' | N2' | C7' | C8' | 6.4° | 0.0° |
| O7' | C7' | C8' | H8'1 | 6.6° | 0.0° |
| O7' | C7' | C8' | H8'2 | 118.7° | 120.0° |
| O7' | C7' | C8' | H8'3 | 131.9° | 119.9° |
| C7' | C8' | H8'1 | H8'2 | 125.3° | 119.9° |
| C7' | C8' | H8'1 | H8'3 | 125.3° | 119.9° |
| C7' | C8' | H8'2 | H8'3 | 115.3° | 120.0° |
| H8'1 | C8' | H8'2 | H8'3 | 115.2° | 120.1° |
| O3' | C3' | C4' | H3' | 119.3° | 120.3° |
| O3' | C3' | C4' | O4' | 57.7° | 66.6° |
| O3' | C3' | C4' | C5' | 179.4° | 173.5° |
| O3' | C3' | C4' | H4' | 61.9° | 53.6° |
| C3' | O3' | C18 | C20 | 114.4° | 89.9° |
| C3' | O3' | C18 | C19 | 95.4° | 150.0° |
| C3' | O3' | C18 | H18 | 8.6° | 30.1° |
| C4' | C3' | O3' | C18 | 151.3° | 138.8° |
| C3' | C4' | O4' | C5' | 122.1° | 119.5° |
| C3' | C4' | O4' | H4' | 119.2° | 120.2° |
| C3' | C4' | C5' | H4' | 119.2° | 119.8° |
| C3' | C4' | O4' | HO4' | 180.0° | 180.0° |
| C3' | C4' | C5' | O5' | 54.5° | 61.3° |
| C3' | C4' | C5' | C6' | 171.8° | 178.7° |
| C3' | C4' | C5' | H5' | 66.8° | 58.8° |
| H3' | C3' | O3' | C18 | 29.7° | 18.5° |
| H3' | C3' | C4' | O4' | 61.6° | 53.8° |
| H3' | C3' | C4' | C5' | 60.1° | 66.2° |
| H3' | C3' | C4' | H4' | 178.8° | 174.0° |
| O3' | C18 | C20 | C19 | 148.1° | 120.0° |
| O3' | C18 | C20 | H18 | 112.8° | 120.0° |
| O3' | C18 | C19 | H18 | 112.1° | 119.9° |
| O3' | C18 | C20 | H201 | 179.9° | 61.1° |
| O3' | C18 | C20 | H202 | 54.8° | 58.9° |
| O3' | C18 | C20 | H203 | 54.8° | 178.9° |
| O3' | C18 | C19 | O18 | 123.9° | 0.1° |
| O3' | C18 | C19 | N4 | 43.0° | 180.0° |
| O4' | C4' | C5' | H4' | 119.5° | 120.3° |
| O4' | C4' | C5' | O5' | 175.8° | 178.9° |
| O4' | C4' | C5' | C6' | 66.9° | 58.8° |
| O4' | C4' | C5' | H5' | 54.5° | 61.1° |
| C5' | C4' | O4' | HO4' | 57.9° | 60.4° |
| C4' | C5' | O5' | C6' | 119.8° | 120.0° |
| C4' | C5' | O5' | H5' | 118.9° | 120.1° |
| C4' | C5' | C6' | H5' | 118.9° | 119.9° |
| C4' | C5' | C6' | O6' | 67.7° | 180.0° |
| C4' | C5' | C6' | H6'1 | 167.0° | 60.0° |
| C4' | C5' | C6' | H6'2 | 57.5° | 60.0° |
| H4' | C4' | O4' | HO4' | 60.8° | 59.8° |
| H4' | C4' | C5' | O5' | 64.7° | 58.6° |
| H4' | C4' | C5' | C6' | 52.6° | 61.4° |
| H4' | C4' | C5' | H5' | 174.0° | 178.7° |
| O5' | C5' | C6' | H5' | 121.3° | 119.9° |
| O5' | C5' | C6' | O6' | 52.1° | 59.7° |
| O5' | C5' | C6' | H6'1 | 73.2° | 179.7° |
| O5' | C5' | C6' | H6'2 | 177.3° | 60.2° |
| C5' | C6' | O6' | H6'1 | 125.2° | 120.0° |
| C5' | C6' | O6' | H6'2 | 125.2° | 119.9° |
| C5' | C6' | H6'1 | H6'2 | 117.5° | 120.0° |
| C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
| H5' | C5' | C6' | O6' | 173.4° | 60.2° |
| H5' | C5' | C6' | H6'1 | 48.1° | 59.9° |
| H5' | C5' | C6' | H6'2 | 61.4° | 179.9° |
| O6' | C6' | H6'1 | H6'2 | 117.5° | 120.0° |
| H6'1 | C6' | O6' | HO6' | 54.8° | 60.0° |
| H6'2 | C6' | O6' | HO6' | 54.7° | 60.1° |
| C20 | C18 | C19 | H18 | 100.1° | 120.0° |
| C18 | C20 | H201 | H202 | 125.3° | 120.0° |
| C18 | C20 | H201 | H203 | 125.2° | 120.0° |
| C18 | C20 | H202 | H203 | 116.2° | 120.0° |
| C20 | C18 | C19 | O18 | 88.3° | 120.0° |
| C20 | C18 | C19 | N4 | 104.8° | 60.0° |
| C19 | C18 | C20 | H201 | 31.9° | 58.9° |
| C19 | C18 | C20 | H202 | 93.3° | 178.9° |
| C19 | C18 | C20 | H203 | 157.1° | 61.0° |
| C18 | C19 | O18 | N4 | 165.2° | 179.9° |
| C18 | C19 | N4 | C21 | 178.7° | 180.0° |
| C18 | C19 | N4 | HN4 | 1.3° | 0.0° |
| H18 | C18 | C20 | H201 | 67.1° | 178.9° |
| H18 | C18 | C20 | H202 | 167.6° | 61.1° |
| H18 | C18 | C20 | H203 | 58.0° | 58.9° |
| H18 | C18 | C19 | O18 | 11.8° | 120.0° |
| H18 | C18 | C19 | N4 | 155.1° | 60.0° |
| H201 | C20 | H202 | H203 | 116.1° | 120.0° |
| O18 | C19 | N4 | C21 | 15.0° | 0.0° |
| O18 | C19 | N4 | HN4 | 165.1° | 180.0° |
| C19 | N4 | C21 | HN4 | 180.0° | 180.0° |
| C19 | N4 | C21 | C23 | 166.2° | 90.0° |
| C19 | N4 | C21 | C22 | 40.2° | 150.0° |
| C19 | N4 | C21 | H21 | 76.2° | 30.0° |
| N4 | C21 | C23 | C22 | 127.1° | 120.0° |
| N4 | C21 | C23 | H21 | 116.2° | 120.0° |
| N4 | C21 | C22 | H21 | 115.9° | 120.0° |
| N4 | C21 | C23 | H231 | 180.0° | 59.9° |
| N4 | C21 | C23 | H232 | 54.7° | 180.0° |
| N4 | C21 | C23 | H233 | 54.8° | 60.0° |
| N4 | C21 | C22 | O19 | 138.7° | 0.0° |
| N4 | C21 | C22 | N5 | 34.7° | 180.0° |
| HN4 | N4 | C21 | C23 | 13.8° | 90.0° |
| HN4 | N4 | C21 | C22 | 139.8° | 30.0° |
| HN4 | N4 | C21 | H21 | 103.8° | 150.0° |
| C23 | C21 | C22 | H21 | 117.7° | 120.0° |
| C21 | C23 | H231 | H232 | 125.3° | 120.1° |
| C21 | C23 | H231 | H233 | 125.2° | 120.0° |
| C21 | C23 | H232 | H233 | 117.3° | 120.0° |
| C23 | C21 | C22 | O19 | 94.9° | 120.0° |
| C23 | C21 | C22 | N5 | 91.6° | 60.0° |
| C22 | C21 | C23 | H231 | 52.8° | 60.1° |
| C22 | C21 | C23 | H232 | 178.1° | 60.0° |
| C22 | C21 | C23 | H233 | 72.4° | 180.0° |
| C21 | C22 | O19 | N5 | 172.9° | 180.0° |
| C21 | C22 | N5 | C24 | 164.3° | 179.9° |
| C21 | C22 | N5 | HN5 | 15.7° | 0.0° |
| H21 | C21 | C23 | H231 | 63.9° | 179.9° |
| H21 | C21 | C23 | H232 | 61.4° | 60.0° |
| H21 | C21 | C23 | H233 | 170.9° | 60.0° |
| H21 | C21 | C22 | O19 | 22.8° | 120.0° |
| H21 | C21 | C22 | N5 | 150.6° | 60.0° |
| H231 | C23 | H232 | H233 | 117.3° | 119.9° |
| O19 | C22 | N5 | C24 | 8.9° | 0.0° |
| O19 | C22 | N5 | HN5 | 171.1° | 180.0° |
| C22 | N5 | C24 | HN5 | 180.0° | 180.0° |
| C22 | N5 | C24 | C25 | 139.0° | 150.0° |
| C22 | N5 | C24 | C28 | 90.5° | 90.0° |
| C22 | N5 | C24 | H24 | 24.6° | 29.9° |
| N5 | C24 | C25 | C28 | 130.9° | 120.0° |
| N5 | C24 | C25 | H24 | 113.8° | 120.1° |
| N5 | C24 | C28 | H24 | 114.0° | 120.0° |
| N5 | C24 | C25 | C26 | 160.8° | 60.1° |
| N5 | C24 | C25 | H251 | 73.9° | 180.0° |
| N5 | C24 | C25 | H252 | 35.6° | 59.9° |
| N5 | C24 | C28 | O22 | 116.4° | 150.0° |
| N5 | C24 | C28 | O23 | 56.7° | 30.0° |
| HN5 | N5 | C24 | C25 | 41.0° | 30.0° |
| HN5 | N5 | C24 | C28 | 89.5° | 90.0° |
| HN5 | N5 | C24 | H24 | 155.4° | 150.0° |
| C25 | C24 | C28 | H24 | 114.8° | 120.0° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.3° | 120.0° |
| C24 | C25 | H251 | H252 | 117.7° | 120.1° |
| C24 | C25 | C26 | C27 | 177.5° | 180.0° |
| C24 | C25 | C26 | H261 | 52.3° | 60.0° |
| C24 | C25 | C26 | H262 | 57.2° | 60.0° |
| C25 | C24 | C28 | O22 | 112.4° | 90.0° |
| C25 | C24 | C28 | O23 | 74.6° | 90.0° |
| C28 | C24 | C25 | C26 | 68.3° | 180.0° |
| C28 | C24 | C25 | H251 | 57.0° | 60.0° |
| C28 | C24 | C25 | H252 | 166.5° | 60.1° |
| C24 | C28 | O22 | O23 | 172.5° | 180.0° |
| C24 | C28 | O23 | HO3 | 179.9° | 180.0° |
| H24 | C24 | C25 | C26 | 47.0° | 60.0° |
| H24 | C24 | C25 | H251 | 172.3° | 59.9° |
| H24 | C24 | C25 | H252 | 78.2° | 180.0° |
| H24 | C24 | C28 | O22 | 2.4° | 30.0° |
| H24 | C24 | C28 | O23 | 170.7° | 150.0° |
| C26 | C25 | H251 | H252 | 117.6° | 120.0° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 116.6° | 120.0° |
| C25 | C26 | C27 | O20 | 35.8° | 0.0° |
| C25 | C26 | C27 | O21 | 147.1° | 180.0° |
| H251 | C25 | C26 | C27 | 57.2° | 60.0° |
| H251 | C25 | C26 | H261 | 177.5° | 180.0° |
| H251 | C25 | C26 | H262 | 68.0° | 60.0° |
| H252 | C25 | C26 | C27 | 52.2° | 60.0° |
| H252 | C25 | C26 | H261 | 73.0° | 60.0° |
| H252 | C25 | C26 | H262 | 177.5° | 180.0° |
| C27 | C26 | H261 | H262 | 116.4° | 120.0° |
| C26 | C27 | O20 | O21 | 177.0° | 179.9° |
| C26 | C27 | O21 | HO1 | 180.0° | 180.0° |
| H261 | C26 | C27 | O20 | 89.5° | 120.0° |
| H261 | C26 | C27 | O21 | 87.6° | 60.0° |
| H262 | C26 | C27 | O20 | 161.1° | 120.1° |
| H262 | C26 | C27 | O21 | 21.8° | 60.0° |
| O20 | C27 | O21 | HO1 | 2.9° | 0.1° |
| O22 | C28 | O23 | HO3 | 7.4° | 0.1° |
