UMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | sing | 1.37Å | 1.39Å | |
| N1 | C1B | sing | 1.47Å | 1.45Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1B | C2B | sing | 1.55Å | 1.51Å | |
| C1B | O4B | sing | 1.44Å | 1.42Å | |
| C1B | H1B | sing | 1.09Å | 1.12Å | |
| C2B | O2' | sing | 1.43Å | 1.49Å | |
| C2B | C3B | sing | 1.55Å | 1.51Å | |
| C2B | H2B | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3B | C4B | sing | 1.54Å | 1.51Å | |
| C3B | O3B | sing | 1.43Å | 1.41Å | |
| C3B | H3B | sing | 1.09Å | 1.11Å | |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| C4B | C5B | sing | 1.53Å | 1.53Å | |
| C4B | H4B | sing | 1.09Å | 1.12Å | |
| O3B | HO3' | sing | 0.97Å | 0.95Å | |
| C5B | O5B | sing | 1.43Å | 1.43Å | |
| C5B | H5'1 | sing | 1.09Å | 1.11Å | |
| C5B | H5'2 | sing | 1.09Å | 1.12Å | |
| O5B | PA | sing | 1.61Å | 1.56Å | |
| PA | O1A | doub | 1.48Å | 1.47Å | |
| PA | O2A | sing | 1.61Å | 1.46Å | |
| PA | O3A | sing | 1.61Å | 1.62Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.59Å | |
| PB | O1B | doub | 1.48Å | 1.48Å | |
| PB | O2B | sing | 1.61Å | 1.49Å | |
| PB | O1' | sing | 1.61Å | 1.62Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O1' | C1' | sing | 1.43Å | 1.44Å | |
| C1' | C2' | sing | 1.53Å | 1.52Å | |
| C1' | O5' | sing | 1.43Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | N2' | sing | 1.46Å | 1.46Å | |
| C2' | C3' | sing | 1.53Å | 1.53Å | |
| 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 | 1.51Å | |
| C8' | H8'1 | sing | 1.09Å | 1.11Å | |
| C8' | H8'2 | sing | 1.09Å | 1.12Å | |
| C8' | H8'3 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | C18 | sing | 1.43Å | 1.45Å | |
| C4' | O4' | sing | 1.43Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | HO4 | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.46Å | |
| C5' | C6' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C6' | O6' | sing | 1.43Å | 1.42Å | |
| C6' | H6'1 | sing | 1.09Å | 1.11Å | |
| C6' | H6'2 | sing | 1.09Å | 1.12Å | |
| O6' | HO6 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.12Å | |
| C19 | O18 | doub | 1.21Å | 1.24Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.11Å | |
| N4 | C21 | sing | 1.47Å | 1.46Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.12Å | |
| C22 | O19 | doub | 1.21Å | 1.26Å | |
| C22 | O20 | sing | 1.34Å | 1.26Å | |
| O20 | HO2 | sing | 0.97Å | 0.95Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 122.0° | 120.6° |
| C2 | N1 | C1B | 114.0° | 119.7° |
| N1 | C2 | N3 | 115.3° | 120.9° |
| N1 | C2 | O2 | 123.4° | 119.5° |
| C6 | N1 | C1B | 123.4° | 119.7° |
| N1 | C6 | C5 | 120.9° | 119.7° |
| N1 | C6 | H6 | 121.1° | 120.1° |
| N1 | C1B | C2B | 111.6° | 110.8° |
| N1 | C1B | O4B | 112.0° | 110.6° |
| N1 | C1B | H1B | 106.4° | 110.6° |
| N3 | C2 | O2 | 121.3° | 119.5° |
| C2 | N3 | C4 | 126.1° | 120.3° |
| C2 | N3 | HN3 | 116.7° | 119.9° |
| C4 | N3 | HN3 | 117.1° | 119.9° |
| N3 | C4 | C5 | 116.2° | 119.4° |
| N3 | C4 | O4 | 117.7° | 120.3° |
| C5 | C4 | O4 | 126.1° | 120.3° |
| C4 | C5 | C6 | 119.4° | 119.1° |
| C4 | C5 | H5 | 123.7° | 120.4° |
| C6 | C5 | H5 | 116.9° | 120.5° |
| C5 | C6 | H6 | 117.9° | 120.2° |
| C2B | C1B | O4B | 109.9° | 103.5° |
| C2B | C1B | H1B | 108.6° | 110.6° |
| C1B | C2B | O2' | 103.6° | 110.9° |
| C1B | C2B | C3B | 100.1° | 102.1° |
| C1B | C2B | H2B | 118.0° | 110.9° |
| O4B | C1B | H1B | 108.2° | 110.6° |
| C1B | O4B | C4B | 109.0° | 107.0° |
| O2' | C2B | C3B | 107.4° | 110.8° |
| O2' | C2B | H2B | 111.8° | 110.9° |
| C2B | O2' | HO2' | 103.6° | 106.8° |
| C3B | C2B | H2B | 114.7° | 110.9° |
| C2B | C3B | C4B | 105.7° | 104.0° |
| C2B | C3B | O3B | 109.1° | 110.5° |
| C2B | C3B | H3B | 110.1° | 110.5° |
| C4B | C3B | O3B | 102.7° | 110.8° |
| C4B | C3B | H3B | 115.9° | 110.5° |
| C3B | C4B | O4B | 102.0° | 107.4° |
| C3B | C4B | C5B | 110.6° | 109.9° |
| C3B | C4B | H4B | 113.9° | 109.8° |
| O3B | C3B | H3B | 112.8° | 110.4° |
| C3B | O3B | HO3' | 109.1° | 106.8° |
| O4B | C4B | C5B | 110.5° | 109.9° |
| O4B | C4B | H4B | 114.0° | 110.0° |
| C5B | C4B | H4B | 106.0° | 109.8° |
| C4B | C5B | O5B | 109.5° | 109.5° |
| C4B | C5B | H5'1 | 112.2° | 109.5° |
| C4B | C5B | H5'2 | 112.2° | 109.5° |
| O5B | C5B | H5'1 | 112.2° | 109.4° |
| O5B | C5B | H5'2 | 112.2° | 109.5° |
| C5B | O5B | PA | 122.8° | 106.8° |
| H5'1 | C5B | H5'2 | 98.2° | 109.5° |
| O5B | PA | O1A | 105.4° | 109.5° |
| O5B | PA | O2A | 112.6° | 109.5° |
| O5B | PA | O3A | 101.3° | 109.5° |
| O1A | PA | O2A | 119.2° | 109.5° |
| O1A | PA | O3A | 109.1° | 109.5° |
| O2A | PA | O3A | 107.9° | 109.5° |
| PA | O2A | HOA2 | 112.6° | 106.8° |
| PA | O3A | PB | 130.7° | 106.8° |
| O3A | PB | O1B | 109.6° | 109.5° |
| O3A | PB | O2B | 110.0° | 109.5° |
| O3A | PB | O1' | 98.9° | 109.4° |
| O1B | PB | O2B | 121.2° | 109.4° |
| O1B | PB | O1' | 106.9° | 109.5° |
| O2B | PB | O1' | 107.8° | 109.5° |
| PB | O2B | HOB2 | 110.0° | 106.8° |
| PB | O1' | C1' | 117.1° | 106.8° |
| O1' | C1' | C2' | 109.9° | 109.2° |
| O1' | C1' | O5' | 108.5° | 109.4° |
| O1' | C1' | H1' | 110.0° | 109.4° |
| C2' | C1' | O5' | 110.1° | 109.9° |
| C2' | C1' | H1' | 108.5° | 109.4° |
| C1' | C2' | N2' | 109.9° | 109.6° |
| C1' | C2' | C3' | 107.7° | 109.0° |
| C1' | C2' | H2' | 111.3° | 109.6° |
| O5' | C1' | H1' | 109.9° | 109.5° |
| C1' | O5' | C5' | 113.2° | 107.6° |
| N2' | C2' | C3' | 112.2° | 109.8° |
| N2' | C2' | H2' | 106.8° | 109.5° |
| C2' | N2' | C7' | 120.0° | 120.0° |
| C2' | N2' | HN2 | 124.4° | 120.0° |
| C3' | C2' | H2' | 109.0° | 109.4° |
| C2' | C3' | O3' | 110.4° | 109.6° |
| C2' | C3' | C4' | 108.8° | 108.8° |
| C2' | C3' | H3' | 108.8° | 109.6° |
| C7' | N2' | HN2 | 115.7° | 120.0° |
| N2' | C7' | O7' | 122.7° | 120.0° |
| N2' | C7' | C8' | 117.3° | 120.0° |
| O7' | C7' | C8' | 119.9° | 120.0° |
| C7' | C8' | H8'1 | 117.4° | 109.5° |
| C7' | C8' | H8'2 | 109.4° | 109.4° |
| C7' | C8' | H8'3 | 109.4° | 109.5° |
| H8'1 | C8' | H8'2 | 109.3° | 109.5° |
| H8'1 | C8' | H8'3 | 109.3° | 109.5° |
| H8'2 | C8' | H8'3 | 100.7° | 109.4° |
| O3' | C3' | C4' | 107.9° | 109.6° |
| O3' | C3' | H3' | 109.6° | 109.6° |
| C3' | O3' | C18 | 128.2° | 106.8° |
| C4' | C3' | H3' | 111.3° | 109.6° |
| C3' | C4' | O4' | 109.8° | 109.6° |
| C3' | C4' | C5' | 109.7° | 109.0° |
| C3' | C4' | H4' | 109.2° | 109.6° |
| O3' | C18 | C19 | 116.1° | 109.5° |
| O3' | C18 | C20 | 113.0° | 109.4° |
| O3' | C18 | H18 | 108.7° | 109.5° |
| O4' | C4' | C5' | 110.0° | 109.6° |
| O4' | C4' | H4' | 109.0° | 109.5° |
| C4' | O4' | HO4 | 109.8° | 106.8° |
| C5' | C4' | H4' | 109.1° | 109.6° |
| C4' | C5' | O5' | 109.5° | 109.7° |
| C4' | C5' | C6' | 112.8° | 109.4° |
| C4' | C5' | H5' | 106.2° | 109.4° |
| O5' | C5' | C6' | 106.5° | 109.4° |
| O5' | C5' | H5' | 112.6° | 109.4° |
| C6' | C5' | H5' | 109.3° | 109.5° |
| C5' | C6' | O6' | 110.9° | 109.5° |
| C5' | C6' | H6'1 | 111.7° | 109.4° |
| C5' | C6' | H6'2 | 111.7° | 109.5° |
| O6' | C6' | H6'1 | 111.7° | 109.5° |
| O6' | C6' | H6'2 | 111.7° | 109.5° |
| C6' | O6' | HO6 | 110.8° | 106.8° |
| H6'1 | C6' | H6'2 | 98.7° | 109.5° |
| C19 | C18 | C20 | 121.9° | 109.5° |
| C19 | C18 | H18 | 93.4° | 109.5° |
| C18 | C19 | O18 | 121.5° | 120.1° |
| C18 | C19 | N4 | 113.9° | 120.0° |
| C20 | C18 | H18 | 98.6° | 109.5° |
| C18 | C20 | H201 | 113.0° | 109.5° |
| C18 | C20 | H202 | 110.9° | 109.5° |
| C18 | C20 | H203 | 110.9° | 109.5° |
| O18 | C19 | N4 | 124.6° | 120.0° |
| C19 | N4 | C21 | 123.6° | 120.0° |
| C19 | N4 | HN4 | 113.2° | 120.0° |
| H201 | C20 | H202 | 110.9° | 109.5° |
| H201 | C20 | H203 | 110.9° | 109.5° |
| H202 | C20 | H203 | 99.5° | 109.5° |
| C21 | N4 | HN4 | 123.2° | 120.0° |
| N4 | C21 | C22 | 114.5° | 109.5° |
| N4 | C21 | C23 | 110.2° | 109.5° |
| N4 | C21 | H21 | 105.8° | 109.5° |
| C22 | C21 | C23 | 110.6° | 109.5° |
| C22 | C21 | H21 | 105.3° | 109.5° |
| C21 | C22 | O19 | 118.5° | 120.0° |
| C21 | C22 | O20 | 118.6° | 120.0° |
| C23 | C21 | H21 | 110.1° | 109.5° |
| C21 | C23 | H231 | 110.2° | 109.5° |
| C21 | C23 | H232 | 111.9° | 109.4° |
| C21 | C23 | H233 | 111.9° | 109.5° |
| O19 | C22 | O20 | 122.7° | 120.1° |
| C22 | O20 | HO2 | 118.6° | 120.0° |
| H231 | C23 | H232 | 111.9° | 109.5° |
| H231 | C23 | H233 | 112.0° | 109.5° |
| H232 | C23 | H233 | 98.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1B | 170.2° | 179.8° |
| N1 | C2 | N3 | O2 | 178.2° | 179.6° |
| N1 | C2 | N3 | C4 | 2.8° | 0.4° |
| N1 | C2 | N3 | HN3 | 177.1° | 179.8° |
| C2 | N1 | C6 | C5 | 2.3° | 0.2° |
| C2 | N1 | C6 | H6 | 177.7° | 179.8° |
| C2 | N1 | C1B | C2B | 94.5° | 55.8° |
| C2 | N1 | C1B | O4B | 141.8° | 58.3° |
| C2 | N1 | C1B | H1B | 23.8° | 178.8° |
| C6 | N1 | C2 | N3 | 0.5° | 0.4° |
| C6 | N1 | C2 | O2 | 177.7° | 180.0° |
| N1 | C6 | C5 | C4 | 2.8° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 177.2° | 180.0° |
| C6 | N1 | C1B | C2B | 94.6° | 124.3° |
| C6 | N1 | C1B | O4B | 29.0° | 121.5° |
| C6 | N1 | C1B | H1B | 147.1° | 1.4° |
| C1B | N1 | C2 | N3 | 171.5° | 179.7° |
| C1B | N1 | C2 | O2 | 6.7° | 0.2° |
| C1B | N1 | C6 | C5 | 167.9° | 180.0° |
| C1B | N1 | C6 | H6 | 12.2° | 0.0° |
| N1 | C1B | C2B | O4B | 124.9° | 118.5° |
| N1 | C1B | C2B | H1B | 117.0° | 123.0° |
| N1 | C1B | O4B | H1B | 117.0° | 122.8° |
| N1 | C1B | C2B | O2' | 140.2° | 86.2° |
| N1 | C1B | C2B | C3B | 109.0° | 155.6° |
| N1 | C1B | C2B | H2B | 16.2° | 37.4° |
| N1 | C1B | O4B | C4B | 131.5° | 158.8° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
| C2 | N3 | C4 | C5 | 2.3° | 0.2° |
| C2 | N3 | C4 | O4 | 179.0° | 179.7° |
| O2 | C2 | N3 | C4 | 175.4° | 180.0° |
| O2 | C2 | N3 | HN3 | 4.6° | 0.2° |
| N3 | C4 | C5 | O4 | 178.5° | 179.9° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | C5 | H5 | 179.4° | 179.9° |
| HN3 | N3 | C4 | C5 | 177.7° | 180.0° |
| HN3 | N3 | C4 | O4 | 1.0° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 177.1° | 180.0° |
| O4 | C4 | C5 | C6 | 177.9° | 179.9° |
| O4 | C4 | C5 | H5 | 2.1° | 0.0° |
| H5 | C5 | C6 | H6 | 2.8° | 0.1° |
| C2B | C1B | O4B | H1B | 118.4° | 118.5° |
| C1B | C2B | O2' | C3B | 105.4° | 112.7° |
| C1B | C2B | O2' | H2B | 128.0° | 123.7° |
| C1B | C2B | C3B | H2B | 127.3° | 118.2° |
| C1B | C2B | O2' | HO2' | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 31.9° | 21.0° |
| C1B | C2B | C3B | O3B | 141.7° | 97.9° |
| C1B | C2B | C3B | H3B | 94.0° | 139.6° |
| C2B | C1B | O4B | C4B | 6.9° | 40.1° |
| O4B | C1B | C2B | O2' | 94.9° | 155.2° |
| O4B | C1B | C2B | C3B | 15.9° | 37.1° |
| O4B | C1B | C2B | H2B | 141.0° | 81.1° |
| C1B | O4B | C4B | C3B | 26.6° | 26.5° |
| C1B | O4B | C4B | C5B | 144.2° | 146.0° |
| C1B | O4B | C4B | H4B | 96.6° | 93.0° |
| H1B | C1B | C2B | O2' | 23.3° | 36.7° |
| H1B | C1B | C2B | C3B | 134.0° | 81.4° |
| H1B | C1B | C2B | H2B | 100.8° | 160.4° |
| H1B | C1B | O4B | C4B | 111.5° | 78.4° |
| O2' | C2B | C3B | H2B | 124.8° | 123.6° |
| O2' | C2B | C3B | C4B | 75.9° | 139.2° |
| O2' | C2B | C3B | O3B | 33.9° | 20.2° |
| O2' | C2B | C3B | H3B | 158.2° | 102.3° |
| C3B | C2B | O2' | HO2' | 74.6° | 67.4° |
| C2B | C3B | C4B | O3B | 114.3° | 118.7° |
| C2B | C3B | C4B | H3B | 122.3° | 118.6° |
| C2B | C3B | O3B | H3B | 122.8° | 122.5° |
| C2B | C3B | C4B | O4B | 36.8° | 1.9° |
| C2B | C3B | C4B | C5B | 154.3° | 121.4° |
| C2B | C3B | C4B | H4B | 86.5° | 117.6° |
| C2B | C3B | O3B | HO3' | 180.0° | 61.4° |
| H2B | C2B | O2' | HO2' | 52.0° | 56.3° |
| H2B | C2B | C3B | C4B | 159.2° | 97.2° |
| H2B | C2B | C3B | O3B | 91.0° | 143.9° |
| H2B | C2B | C3B | H3B | 33.3° | 21.4° |
| C4B | C3B | O3B | H3B | 125.5° | 122.7° |
| C3B | C4B | O4B | C5B | 117.6° | 119.5° |
| C3B | C4B | O4B | H4B | 123.2° | 119.5° |
| C3B | C4B | C5B | H4B | 123.9° | 120.9° |
| C4B | C3B | O3B | HO3' | 68.2° | 176.2° |
| C3B | C4B | C5B | O5B | 46.0° | 179.7° |
| C3B | C4B | C5B | H5'1 | 171.3° | 59.8° |
| C3B | C4B | C5B | H5'2 | 79.3° | 60.3° |
| O3B | C3B | C4B | O4B | 151.2° | 120.7° |
| O3B | C3B | C4B | C5B | 91.3° | 119.8° |
| O3B | C3B | C4B | H4B | 27.8° | 1.1° |
| H3B | C3B | C4B | O4B | 85.4° | 116.6° |
| H3B | C3B | C4B | C5B | 32.1° | 2.9° |
| H3B | C3B | C4B | H4B | 151.2° | 123.8° |
| H3B | C3B | O3B | HO3' | 57.3° | 61.1° |
| O4B | C4B | C5B | H4B | 124.0° | 121.1° |
| O4B | C4B | C5B | O5B | 66.2° | 61.7° |
| O4B | C4B | C5B | H5'1 | 59.1° | 58.2° |
| O4B | C4B | C5B | H5'2 | 168.5° | 178.3° |
| C4B | C5B | O5B | H5'1 | 125.2° | 120.0° |
| C4B | C5B | O5B | H5'2 | 125.2° | 120.1° |
| C4B | C5B | H5'1 | H5'2 | 118.1° | 120.1° |
| C4B | C5B | O5B | PA | 145.0° | 180.0° |
| H4B | C4B | C5B | O5B | 169.8° | 59.4° |
| H4B | C4B | C5B | H5'1 | 64.9° | 179.3° |
| H4B | C4B | C5B | H5'2 | 44.6° | 60.7° |
| O5B | C5B | H5'1 | H5'2 | 118.2° | 119.9° |
| C5B | O5B | PA | O1A | 156.0° | 60.0° |
| C5B | O5B | PA | O2A | 72.6° | 60.0° |
| C5B | O5B | PA | O3A | 42.4° | 180.0° |
| H5'1 | C5B | O5B | PA | 19.7° | 60.0° |
| H5'2 | C5B | O5B | PA | 89.8° | 60.0° |
| O5B | PA | O1A | O2A | 127.6° | 120.0° |
| O5B | PA | O1A | O3A | 108.0° | 120.0° |
| O5B | PA | O2A | O3A | 110.9° | 120.0° |
| O5B | PA | O2A | HOA2 | 180.0° | 60.0° |
| O5B | PA | O3A | PB | 156.7° | 180.0° |
| O1A | PA | O2A | O3A | 125.0° | 120.0° |
| O1A | PA | O2A | HOA2 | 55.9° | 180.0° |
| O1A | PA | O3A | PB | 92.5° | 60.0° |
| O2A | PA | O3A | PB | 38.3° | 60.0° |
| O3A | PA | O2A | HOA2 | 69.1° | 60.0° |
| PA | O3A | PB | O1B | 96.8° | 60.1° |
| PA | O3A | PB | O2B | 38.9° | 59.9° |
| PA | O3A | PB | O1' | 151.6° | 180.0° |
| O3A | PB | O1B | O2B | 129.7° | 120.0° |
| O3A | PB | O1B | O1' | 106.3° | 120.0° |
| O3A | PB | O2B | O1' | 106.9° | 120.0° |
| O3A | PB | O2B | HOB2 | 180.0° | 60.0° |
| O3A | PB | O1' | C1' | 66.2° | 180.0° |
| O1B | PB | O2B | O1' | 123.6° | 120.0° |
| O1B | PB | O2B | HOB2 | 50.5° | 179.9° |
| O1B | PB | O1' | C1' | 179.9° | 60.0° |
| O2B | PB | O1' | C1' | 48.2° | 60.0° |
| O1' | PB | O2B | HOB2 | 73.1° | 59.9° |
| PB | O1' | C1' | C2' | 139.3° | 149.6° |
| PB | O1' | C1' | O5' | 100.2° | 90.0° |
| PB | O1' | C1' | H1' | 20.0° | 29.9° |
| O1' | C1' | C2' | O5' | 119.5° | 120.1° |
| O1' | C1' | C2' | H1' | 120.3° | 119.7° |
| O1' | C1' | O5' | H1' | 120.2° | 119.8° |
| O1' | C1' | C2' | N2' | 62.8° | 61.1° |
| O1' | C1' | C2' | C3' | 59.7° | 59.1° |
| O1' | C1' | C2' | H2' | 179.1° | 178.7° |
| O1' | C1' | O5' | C5' | 59.6° | 52.4° |
| C2' | C1' | O5' | H1' | 119.4° | 120.2° |
| C1' | C2' | N2' | C3' | 119.8° | 119.7° |
| C1' | C2' | N2' | H2' | 120.9° | 120.2° |
| C1' | C2' | C3' | H2' | 120.9° | 119.8° |
| C1' | C2' | N2' | C7' | 99.7° | 90.0° |
| C1' | C2' | N2' | HN2 | 80.3° | 90.0° |
| C1' | C2' | C3' | O3' | 177.6° | 173.3° |
| C1' | C2' | C3' | C4' | 59.4° | 53.5° |
| C1' | C2' | C3' | H3' | 62.0° | 66.4° |
| C2' | C1' | O5' | C5' | 60.7° | 67.5° |
| O5' | C1' | C2' | N2' | 177.7° | 178.8° |
| O5' | C1' | C2' | C3' | 59.8° | 61.0° |
| O5' | C1' | C2' | H2' | 59.6° | 58.6° |
| C1' | O5' | C5' | C4' | 58.7° | 67.6° |
| C1' | O5' | C5' | C6' | 179.0° | 172.4° |
| C1' | O5' | C5' | H5' | 59.2° | 52.5° |
| H1' | C1' | C2' | N2' | 57.5° | 58.5° |
| H1' | C1' | C2' | C3' | 179.9° | 178.7° |
| H1' | C1' | C2' | H2' | 60.6° | 61.6° |
| H1' | C1' | O5' | C5' | 179.9° | 172.3° |
| N2' | C2' | C3' | H2' | 118.0° | 120.2° |
| C2' | N2' | C7' | HN2 | 180.0° | 180.0° |
| C2' | N2' | C7' | O7' | 9.8° | 0.0° |
| C2' | N2' | C7' | C8' | 173.7° | 180.0° |
| N2' | C2' | C3' | O3' | 61.3° | 66.7° |
| N2' | C2' | C3' | C4' | 179.6° | 173.5° |
| N2' | C2' | C3' | H3' | 59.0° | 53.7° |
| C3' | C2' | N2' | C7' | 140.6° | 150.3° |
| C3' | C2' | N2' | HN2 | 39.5° | 29.7° |
| C2' | C3' | O3' | C4' | 118.8° | 119.3° |
| C2' | C3' | O3' | H3' | 119.8° | 120.4° |
| C2' | C3' | C4' | H3' | 119.9° | 119.9° |
| C2' | C3' | O3' | C18 | 98.2° | 101.8° |
| C2' | C3' | C4' | O4' | 179.9° | 173.6° |
| C2' | C3' | C4' | C5' | 59.0° | 53.7° |
| C2' | C3' | C4' | H4' | 60.6° | 66.2° |
| H2' | C2' | N2' | C7' | 21.2° | 30.2° |
| H2' | C2' | N2' | HN2 | 158.8° | 149.8° |
| H2' | C2' | C3' | O3' | 56.7° | 53.5° |
| H2' | C2' | C3' | C4' | 61.6° | 66.3° |
| H2' | C2' | C3' | H3' | 177.0° | 173.9° |
| N2' | C7' | O7' | C8' | 176.4° | 179.9° |
| N2' | C7' | C8' | H8'1 | 180.0° | 180.0° |
| N2' | C7' | C8' | H8'2 | 54.7° | 60.0° |
| N2' | C7' | C8' | H8'3 | 54.7° | 59.9° |
| HN2 | N2' | C7' | O7' | 170.2° | 180.0° |
| HN2 | N2' | C7' | C8' | 6.3° | 0.0° |
| O7' | C7' | C8' | H8'1 | 3.4° | 0.0° |
| O7' | C7' | C8' | H8'2 | 121.9° | 120.1° |
| O7' | C7' | C8' | H8'3 | 128.7° | 120.0° |
| C7' | C8' | H8'1 | H8'2 | 125.3° | 120.0° |
| C7' | C8' | H8'1 | H8'3 | 125.3° | 120.0° |
| C7' | C8' | H8'2 | H8'3 | 115.1° | 120.0° |
| H8'1 | C8' | H8'2 | H8'3 | 115.1° | 120.0° |
| O3' | C3' | C4' | H3' | 120.3° | 120.3° |
| O3' | C3' | C4' | O4' | 60.2° | 66.6° |
| O3' | C3' | C4' | C5' | 178.8° | 173.5° |
| O3' | C3' | C4' | H4' | 59.3° | 53.6° |
| C3' | O3' | C18 | C19 | 112.5° | 150.1° |
| C3' | O3' | C18 | C20 | 99.6° | 90.0° |
| C3' | O3' | C18 | H18 | 8.8° | 30.0° |
| C4' | C3' | O3' | C18 | 142.9° | 138.9° |
| C3' | C4' | O4' | C5' | 120.8° | 119.5° |
| C3' | C4' | O4' | H4' | 119.6° | 120.2° |
| C3' | C4' | C5' | H4' | 119.6° | 119.9° |
| C3' | C4' | O4' | HO4 | 180.0° | 179.9° |
| C3' | C4' | C5' | O5' | 57.0° | 61.3° |
| C3' | C4' | C5' | C6' | 175.4° | 178.7° |
| C3' | C4' | C5' | H5' | 64.9° | 58.8° |
| H3' | C3' | O3' | C18 | 21.6° | 18.6° |
| H3' | C3' | C4' | O4' | 60.1° | 53.7° |
| H3' | C3' | C4' | C5' | 60.9° | 66.2° |
| H3' | C3' | C4' | H4' | 179.5° | 173.9° |
| O3' | C18 | C19 | C20 | 144.9° | 120.0° |
| O3' | C18 | C19 | H18 | 112.8° | 120.0° |
| O3' | C18 | C20 | H18 | 114.6° | 120.0° |
| O3' | C18 | C19 | O18 | 155.9° | 0.1° |
| O3' | C18 | C19 | N4 | 24.3° | 180.0° |
| O3' | C18 | C20 | H201 | 180.0° | 61.1° |
| O3' | C18 | C20 | H202 | 54.8° | 58.9° |
| O3' | C18 | C20 | H203 | 54.8° | 179.0° |
| O4' | C4' | C5' | H4' | 119.5° | 120.2° |
| O4' | C4' | C5' | O5' | 177.9° | 178.8° |
| O4' | C4' | C5' | C6' | 63.7° | 58.8° |
| O4' | C4' | C5' | H5' | 56.0° | 61.1° |
| C5' | C4' | O4' | HO4 | 59.1° | 60.4° |
| C4' | C5' | O5' | C6' | 122.3° | 120.0° |
| C4' | C5' | O5' | H5' | 117.9° | 120.1° |
| C4' | C5' | C6' | H5' | 117.9° | 119.9° |
| C4' | C5' | C6' | O6' | 66.4° | 180.0° |
| C4' | C5' | C6' | H6'1 | 168.3° | 60.1° |
| C4' | C5' | C6' | H6'2 | 58.8° | 59.9° |
| H4' | C4' | O4' | HO4 | 60.4° | 59.8° |
| H4' | C4' | C5' | O5' | 62.6° | 58.6° |
| H4' | C4' | C5' | C6' | 55.8° | 61.3° |
| H4' | C4' | C5' | H5' | 175.5° | 178.7° |
| O5' | C5' | C6' | H5' | 121.9° | 119.9° |
| O5' | C5' | C6' | O6' | 53.7° | 59.7° |
| O5' | C5' | C6' | H6'1 | 71.5° | 179.7° |
| O5' | C5' | C6' | H6'2 | 178.9° | 60.3° |
| C5' | C6' | O6' | H6'1 | 125.3° | 119.9° |
| C5' | C6' | O6' | H6'2 | 125.2° | 120.0° |
| C5' | C6' | H6'1 | H6'2 | 117.6° | 120.0° |
| C5' | C6' | O6' | HO6 | 180.0° | 179.9° |
| H5' | C5' | C6' | O6' | 175.6° | 60.1° |
| H5' | C5' | C6' | H6'1 | 50.4° | 59.8° |
| H5' | C5' | C6' | H6'2 | 59.1° | 179.8° |
| O6' | C6' | H6'1 | H6'2 | 117.6° | 120.0° |
| H6'1 | C6' | O6' | HO6 | 54.8° | 60.0° |
| H6'2 | C6' | O6' | HO6 | 54.8° | 60.1° |
| C19 | C18 | C20 | H18 | 99.5° | 120.1° |
| C18 | C19 | O18 | N4 | 179.8° | 180.0° |
| C19 | C18 | C20 | H201 | 34.2° | 58.9° |
| C19 | C18 | C20 | H202 | 91.0° | 178.9° |
| C19 | C18 | C20 | H203 | 159.4° | 61.1° |
| C18 | C19 | N4 | C21 | 166.5° | 180.0° |
| C18 | C19 | N4 | HN4 | 13.5° | 0.0° |
| C20 | C18 | C19 | O18 | 59.3° | 120.0° |
| C20 | C18 | C19 | N4 | 120.5° | 60.0° |
| C18 | C20 | H201 | H202 | 125.3° | 120.0° |
| C18 | C20 | H201 | H203 | 125.2° | 120.0° |
| C18 | C20 | H202 | H203 | 116.8° | 120.0° |
| H18 | C18 | C19 | O18 | 43.1° | 120.0° |
| H18 | C18 | C19 | N4 | 137.1° | 60.0° |
| H18 | C18 | C20 | H201 | 65.4° | 179.0° |
| H18 | C18 | C20 | H202 | 169.4° | 61.0° |
| H18 | C18 | C20 | H203 | 59.9° | 59.0° |
| O18 | C19 | N4 | C21 | 13.3° | 0.0° |
| O18 | C19 | N4 | HN4 | 166.7° | 180.0° |
| C19 | N4 | C21 | HN4 | 180.0° | 180.0° |
| C19 | N4 | C21 | C22 | 84.9° | 150.0° |
| C19 | N4 | C21 | C23 | 149.7° | 90.1° |
| C19 | N4 | C21 | H21 | 30.6° | 30.0° |
| H201 | C20 | H202 | H203 | 116.8° | 120.0° |
| N4 | C21 | C22 | C23 | 125.2° | 120.0° |
| N4 | C21 | C22 | H21 | 115.8° | 120.0° |
| N4 | C21 | C23 | H21 | 116.3° | 120.0° |
| N4 | C21 | C22 | O19 | 14.2° | 0.0° |
| N4 | C21 | C22 | O20 | 169.9° | 180.0° |
| N4 | C21 | C23 | H231 | 180.0° | 60.0° |
| N4 | C21 | C23 | H232 | 54.8° | 180.0° |
| N4 | C21 | C23 | H233 | 54.7° | 60.0° |
| HN4 | N4 | C21 | C22 | 95.1° | 30.0° |
| HN4 | N4 | C21 | C23 | 30.3° | 90.0° |
| HN4 | N4 | C21 | H21 | 149.3° | 150.0° |
| C22 | C21 | C23 | H21 | 116.0° | 120.0° |
| C21 | C22 | O19 | O20 | 175.7° | 180.0° |
| C21 | C22 | O20 | HO2 | 180.0° | 179.9° |
| C22 | C21 | C23 | H231 | 52.3° | 60.0° |
| C22 | C21 | C23 | H232 | 177.6° | 60.0° |
| C22 | C21 | C23 | H233 | 72.9° | 180.0° |
| C23 | C21 | C22 | O19 | 111.0° | 120.0° |
| C23 | C21 | C22 | O20 | 64.9° | 60.0° |
| C21 | C23 | H231 | H232 | 125.2° | 120.0° |
| C21 | C23 | H231 | H233 | 125.2° | 120.0° |
| C21 | C23 | H232 | H233 | 117.9° | 120.0° |
| H21 | C21 | C22 | O19 | 130.0° | 120.0° |
| H21 | C21 | C22 | O20 | 54.1° | 60.0° |
| H21 | C21 | C23 | H231 | 63.7° | 180.0° |
| H21 | C21 | C23 | H232 | 61.6° | 60.0° |
| H21 | C21 | C23 | H233 | 171.1° | 60.0° |
| O19 | C22 | O20 | HO2 | 4.3° | 0.0° |
| H231 | C23 | H232 | H233 | 117.9° | 120.0° |
