AUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3G | PG | doub | 1.48Å | 1.51Å | |
| O1G | PG | sing | 1.61Å | 1.52Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O3B | sing | 1.61Å | 1.62Å | |
| O1B | PB | doub | 1.48Å | 1.51Å | |
| O2A | PA | doub | 1.48Å | 1.51Å | |
| O3B | PB | sing | 1.61Å | 1.61Å | |
| PB | O2B | sing | 1.61Å | 1.52Å | |
| PB | O3A | sing | 1.61Å | 1.62Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| PA | O3A | sing | 1.61Å | 1.62Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C1' | N1 | sing | 1.46Å | 1.47Å | |
| C6 | N1 | sing | 1.37Å | 1.34Å | |
| C6 | C5 | doub | 1.36Å | 1.39Å | |
| N1 | C2 | sing | 1.34Å | 1.41Å | |
| C29 | C5 | sing | 1.48Å | 1.49Å | |
| C29 | C30 | doub | 1.33Å | 1.33Å | |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.47Å | 1.49Å | |
| C2 | O2 | doub | 1.22Å | 1.26Å | |
| C2 | N3 | sing | 1.34Å | 1.33Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C33 | N34 | sing | 1.46Å | 1.46Å | |
| O36 | C35 | doub | 1.21Å | 1.22Å | |
| N34 | C35 | sing | 1.35Å | 1.33Å | |
| C35 | C37 | sing | 1.51Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C45 | C44 | sing | 1.53Å | 1.52Å | |
| C45 | O46 | sing | 1.43Å | 1.43Å | |
| C37 | H1 | sing | 1.09Å | 1.10Å | |
| C37 | H2 | sing | 1.09Å | 1.10Å | |
| C38 | H3 | sing | 1.09Å | 1.10Å | |
| C38 | H4 | sing | 1.09Å | 1.10Å | |
| C39 | H6 | sing | 1.09Å | 1.10Å | |
| C39 | H5 | sing | 1.09Å | 1.10Å | |
| C40 | H8 | sing | 1.09Å | 1.10Å | |
| C40 | H7 | sing | 1.09Å | 1.10Å | |
| C41 | H10 | sing | 1.09Å | 1.10Å | |
| C41 | H9 | sing | 1.09Å | 1.10Å | |
| C42 | H12 | sing | 1.09Å | 1.10Å | |
| C42 | H11 | sing | 1.09Å | 1.10Å | |
| C43 | H13 | sing | 1.09Å | 1.10Å | |
| C43 | H14 | sing | 1.09Å | 1.10Å | |
| C44 | H16 | sing | 1.09Å | 1.10Å | |
| C44 | H15 | sing | 1.09Å | 1.10Å | |
| C45 | H18 | sing | 1.09Å | 1.10Å | |
| C45 | H17 | sing | 1.09Å | 1.10Å | |
| O46 | H19 | sing | 0.97Å | 0.95Å | |
| N34 | H20 | sing | 0.97Å | 1.00Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.08Å | 1.08Å | |
| C29 | H5M | sing | 1.08Å | 1.08Å | |
| C6 | H27 | sing | 1.08Å | 1.08Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C1' | H29 | sing | 1.09Å | 1.10Å | |
| C4' | H30 | sing | 1.09Å | 1.10Å | |
| C3' | H31 | sing | 1.09Å | 1.10Å | |
| O3' | H32 | sing | 0.97Å | 0.95Å | |
| C2' | H34 | sing | 1.09Å | 1.10Å | |
| C2' | H33 | sing | 1.09Å | 1.10Å | |
| C5' | H35 | sing | 1.09Å | 1.10Å | |
| C5' | H36 | sing | 1.09Å | 1.10Å | |
| O1A | H38 | sing | 0.97Å | 0.95Å | |
| O2B | H39 | sing | 0.97Å | 0.95Å | |
| O1G | H40 | sing | 0.97Å | 0.95Å | |
| O2G | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3G | PG | O1G | 115.3° | 109.4° |
| O3G | PG | O2G | 113.3° | 109.5° |
| O3G | PG | O3B | 100.9° | 109.5° |
| O1G | PG | O2G | 114.1° | 109.4° |
| O1G | PG | O3B | 108.3° | 109.5° |
| PG | O1G | H40 | 109.5° | 114.0° |
| O2G | PG | O3B | 103.1° | 109.5° |
| PG | O2G | H41 | 109.5° | 114.0° |
| PG | O3B | PB | 125.2° | 134.0° |
| O1B | PB | O3B | 110.7° | 109.4° |
| O1B | PB | O2B | 117.6° | 109.5° |
| O1B | PB | O3A | 113.1° | 109.5° |
| O2A | PA | O3A | 109.0° | 109.5° |
| O2A | PA | O5' | 108.4° | 109.5° |
| O2A | PA | O1A | 119.1° | 109.5° |
| O3B | PB | O2B | 106.2° | 109.5° |
| O3B | PB | O3A | 100.5° | 109.5° |
| O2B | PB | O3A | 107.3° | 109.5° |
| PB | O2B | H39 | 109.5° | 114.0° |
| PB | O3A | PA | 127.4° | 134.0° |
| O5' | C5' | C4' | 111.5° | 109.4° |
| C5' | O5' | PA | 121.9° | 122.9° |
| O5' | C5' | H35 | 108.9° | 109.5° |
| O5' | C5' | H36 | 108.9° | 109.5° |
| C5' | C4' | C3' | 111.4° | 110.4° |
| C5' | C4' | O4' | 113.5° | 110.3° |
| C5' | C4' | H30 | 108.2° | 110.4° |
| C4' | C5' | H35 | 109.0° | 109.4° |
| C4' | C5' | H36 | 109.0° | 109.4° |
| O3A | PA | O5' | 102.7° | 109.4° |
| O3A | PA | O1A | 106.0° | 109.4° |
| O5' | PA | O1A | 110.4° | 109.5° |
| PA | O1A | H38 | 109.5° | 114.0° |
| O3' | C3' | C4' | 111.7° | 110.5° |
| O3' | C3' | C2' | 112.0° | 110.4° |
| O3' | C3' | H31 | 111.0° | 110.6° |
| C3' | O3' | H32 | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.9° | 104.8° |
| C4' | C3' | C2' | 102.7° | 104.1° |
| C3' | C4' | H30 | 108.3° | 110.4° |
| C4' | C3' | H31 | 109.6° | 110.5° |
| C4' | O4' | C1' | 109.4° | 105.3° |
| O4' | C4' | H30 | 109.4° | 110.5° |
| C3' | C2' | C1' | 103.6° | 103.9° |
| C2' | C3' | H31 | 109.6° | 110.5° |
| C3' | C2' | H34 | 110.9° | 110.5° |
| C3' | C2' | H33 | 110.9° | 110.5° |
| O4' | C1' | C2' | 107.6° | 104.9° |
| O4' | C1' | N1 | 112.2° | 110.3° |
| O4' | C1' | H29 | 111.0° | 110.4° |
| C2' | C1' | N1 | 105.7° | 110.3° |
| C2' | C1' | H29 | 109.7° | 110.4° |
| C1' | C2' | H34 | 110.9° | 110.7° |
| C1' | C2' | H33 | 110.9° | 110.5° |
| C1' | N1 | C6 | 121.1° | 119.3° |
| C1' | N1 | C2 | 118.3° | 119.3° |
| N1 | C1' | H29 | 110.4° | 110.4° |
| N1 | C6 | C5 | 121.1° | 119.5° |
| C6 | N1 | C2 | 120.5° | 121.3° |
| N1 | C6 | H27 | 119.4° | 120.3° |
| C6 | C5 | C29 | 118.7° | 120.9° |
| C6 | C5 | C4 | 116.9° | 118.3° |
| C5 | C6 | H27 | 119.4° | 120.3° |
| N1 | C2 | O2 | 120.1° | 119.0° |
| N1 | C2 | N3 | 119.5° | 121.9° |
| C5 | C29 | C30 | 124.9° | 120.0° |
| C29 | C5 | C4 | 124.5° | 120.9° |
| C5 | C29 | H5M | 117.5° | 120.0° |
| C29 | C30 | C31 | 118.8° | 120.0° |
| C29 | C30 | H37 | 120.6° | 120.0° |
| C30 | C29 | H5M | 117.6° | 120.0° |
| C30 | C31 | C32 | 110.5° | 109.5° |
| C30 | C31 | H25 | 109.2° | 109.5° |
| C30 | C31 | H26 | 109.2° | 109.5° |
| C31 | C30 | H37 | 120.6° | 120.0° |
| C31 | C32 | C33 | 112.4° | 109.5° |
| C31 | C32 | H23 | 108.7° | 109.5° |
| C31 | C32 | H24 | 108.7° | 109.5° |
| C32 | C31 | H25 | 109.2° | 109.4° |
| C32 | C31 | H26 | 109.2° | 109.5° |
| C5 | C4 | N3 | 118.1° | 118.6° |
| C5 | C4 | O4 | 123.4° | 120.7° |
| O2 | C2 | N3 | 120.4° | 119.0° |
| C2 | N3 | C4 | 123.9° | 120.3° |
| C2 | N3 | H28 | 118.1° | 119.9° |
| C32 | C33 | N34 | 112.7° | 109.5° |
| C32 | C33 | H22 | 108.7° | 109.5° |
| C32 | C33 | H21 | 108.7° | 109.4° |
| C33 | C32 | H23 | 108.8° | 109.5° |
| C33 | C32 | H24 | 108.7° | 109.5° |
| N3 | C4 | O4 | 118.6° | 120.7° |
| C4 | N3 | H28 | 118.1° | 119.8° |
| C33 | N34 | C35 | 122.6° | 120.0° |
| C33 | N34 | H20 | 118.7° | 120.0° |
| N34 | C33 | H22 | 108.7° | 109.5° |
| N34 | C33 | H21 | 108.7° | 109.4° |
| O36 | C35 | N34 | 122.3° | 120.0° |
| O36 | C35 | C37 | 120.4° | 120.0° |
| N34 | C35 | C37 | 117.2° | 120.0° |
| C35 | N34 | H20 | 118.7° | 120.0° |
| C35 | C37 | C38 | 111.6° | 109.5° |
| C35 | C37 | H1 | 108.9° | 109.5° |
| C35 | C37 | H2 | 108.9° | 109.5° |
| C37 | C38 | C39 | 111.6° | 109.4° |
| C38 | C37 | H1 | 108.9° | 109.5° |
| C38 | C37 | H2 | 109.0° | 109.4° |
| C37 | C38 | H3 | 109.0° | 109.5° |
| C37 | C38 | H4 | 108.9° | 109.4° |
| C38 | C39 | C40 | 112.5° | 109.4° |
| C39 | C38 | H3 | 108.9° | 109.5° |
| C39 | C38 | H4 | 108.9° | 109.5° |
| C38 | C39 | H6 | 108.7° | 109.5° |
| C38 | C39 | H5 | 108.7° | 109.5° |
| C39 | C40 | C41 | 113.1° | 109.5° |
| C40 | C39 | H6 | 108.7° | 109.5° |
| C40 | C39 | H5 | 108.7° | 109.4° |
| C39 | C40 | H8 | 108.6° | 109.5° |
| C39 | C40 | H7 | 108.5° | 109.5° |
| C40 | C41 | C42 | 111.0° | 109.5° |
| C41 | C40 | H8 | 108.5° | 109.4° |
| C41 | C40 | H7 | 108.6° | 109.4° |
| C40 | C41 | H10 | 109.1° | 109.5° |
| C40 | C41 | H9 | 109.1° | 109.5° |
| C41 | C42 | C43 | 110.9° | 109.5° |
| C42 | C41 | H10 | 109.1° | 109.4° |
| C42 | C41 | H9 | 109.1° | 109.4° |
| C41 | C42 | H12 | 109.1° | 109.5° |
| C41 | C42 | H11 | 109.1° | 109.5° |
| C42 | C43 | C44 | 111.0° | 109.5° |
| C43 | C42 | H12 | 109.1° | 109.4° |
| C43 | C42 | H11 | 109.1° | 109.5° |
| C42 | C43 | H13 | 109.1° | 109.4° |
| C42 | C43 | H14 | 109.1° | 109.5° |
| C43 | C44 | C45 | 111.1° | 109.5° |
| C44 | C43 | H13 | 109.1° | 109.5° |
| C44 | C43 | H14 | 109.1° | 109.5° |
| C43 | C44 | H16 | 109.0° | 109.5° |
| C43 | C44 | H15 | 109.1° | 109.5° |
| C44 | C45 | O46 | 109.7° | 109.5° |
| C45 | C44 | H16 | 109.1° | 109.4° |
| C45 | C44 | H15 | 109.0° | 109.4° |
| C44 | C45 | H18 | 109.4° | 109.5° |
| C44 | C45 | H17 | 109.4° | 109.4° |
| O46 | C45 | H18 | 109.4° | 109.5° |
| O46 | C45 | H17 | 109.4° | 109.5° |
| C45 | O46 | H19 | 109.5° | 114.0° |
| H1 | C37 | H2 | 109.4° | 109.4° |
| H3 | C38 | H4 | 109.5° | 109.5° |
| H6 | C39 | H5 | 109.5° | 109.5° |
| H8 | C40 | H7 | 109.5° | 109.5° |
| H10 | C41 | H9 | 109.5° | 109.4° |
| H12 | C42 | H11 | 109.5° | 109.5° |
| H13 | C43 | H14 | 109.5° | 109.5° |
| H16 | C44 | H15 | 109.4° | 109.5° |
| H18 | C45 | H17 | 109.5° | 109.4° |
| H22 | C33 | H21 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.4° | 109.4° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H34 | C2' | H33 | 109.5° | 110.6° |
| H35 | C5' | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3G | PG | O1G | O2G | 133.6° | 120.0° |
| O3G | PG | O1G | O3B | 112.2° | 120.0° |
| O3G | PG | O2G | O3B | 108.2° | 120.1° |
| O3G | PG | O3B | PB | 112.3° | 40.0° |
| O3G | PG | O1G | H40 | 0.0° | 60.0° |
| O3G | PG | O2G | H41 | 0.0° | 180.0° |
| O1G | PG | O2G | O3B | 117.2° | 120.0° |
| O1G | PG | O3B | PB | 9.1° | 160.0° |
| O1G | PG | O2G | H41 | 134.6° | 60.1° |
| O2G | PG | O3B | PB | 130.3° | 80.0° |
| O2G | PG | O1G | H40 | 133.7° | 60.0° |
| PG | O3B | PB | O1B | 24.8° | 45.0° |
| PG | O3B | PB | O2B | 153.4° | 75.0° |
| PG | O3B | PB | O3A | 95.0° | 165.0° |
| O3B | PG | O1G | H40 | 112.2° | 180.0° |
| O3B | PG | O2G | H41 | 108.2° | 59.9° |
| O1B | PB | O3B | O2B | 128.7° | 120.0° |
| O1B | PB | O3B | O3A | 119.8° | 120.0° |
| O1B | PB | O2B | O3A | 128.7° | 120.0° |
| O1B | PB | O3A | PA | 11.0° | 40.0° |
| O1B | PB | O2B | H39 | 0.0° | 180.0° |
| O2A | PA | O3A | PB | 15.6° | 40.0° |
| O2A | PA | O5' | C5' | 38.9° | 55.0° |
| O2A | PA | O3A | O5' | 114.8° | 120.0° |
| O2A | PA | O3A | O1A | 129.3° | 120.0° |
| O2A | PA | O5' | O1A | 132.1° | 120.1° |
| O2A | PA | O1A | H38 | 0.0° | 180.0° |
| O3B | PB | O2B | O3A | 106.8° | 120.0° |
| O3B | PB | O3A | PA | 107.1° | 160.0° |
| O3B | PB | O2B | H39 | 124.5° | 60.0° |
| O2B | PB | O3A | PA | 142.2° | 80.0° |
| PB | O3A | PA | O5' | 99.2° | 160.0° |
| PB | O3A | PA | O1A | 144.9° | 80.0° |
| O3A | PB | O2B | H39 | 128.7° | 60.0° |
| O5' | C5' | C4' | H35 | 120.3° | 120.0° |
| O5' | C5' | C4' | H36 | 120.3° | 120.0° |
| C5' | O5' | PA | O3A | 76.3° | 175.0° |
| C5' | O5' | PA | O1A | 171.1° | 65.0° |
| O5' | C5' | C4' | C3' | 66.2° | 175.0° |
| O5' | C5' | C4' | O4' | 53.3° | 69.6° |
| O5' | C5' | C4' | H30 | 174.8° | 52.7° |
| O5' | C5' | H35 | H36 | 119.0° | 120.1° |
| C4' | C5' | O5' | PA | 135.0° | 180.0° |
| C5' | C4' | C3' | O3' | 84.0° | 98.6° |
| C5' | C4' | C3' | O4' | 123.9° | 118.8° |
| C5' | C4' | C3' | H30 | 118.9° | 122.3° |
| C5' | C4' | O4' | H30 | 120.9° | 122.3° |
| C5' | C4' | C3' | C2' | 155.8° | 142.8° |
| C5' | C4' | O4' | C1' | 143.3° | 159.3° |
| C5' | C4' | C3' | H31 | 39.4° | 24.1° |
| C4' | C5' | H35 | H36 | 119.1° | 119.9° |
| O3A | PA | O5' | O1A | 112.6° | 120.0° |
| O3A | PA | O1A | H38 | 123.2° | 60.0° |
| PA | O5' | C5' | H35 | 14.7° | 60.1° |
| PA | O5' | C5' | H36 | 104.7° | 60.1° |
| O5' | PA | O1A | H38 | 126.3° | 59.9° |
| O3' | C3' | C4' | C2' | 120.2° | 118.6° |
| O3' | C3' | C4' | H31 | 123.4° | 122.7° |
| O3' | C3' | C4' | O4' | 152.1° | 142.6° |
| O3' | C3' | C2' | H31 | 123.6° | 122.7° |
| O3' | C3' | C2' | C1' | 150.5° | 118.7° |
| O3' | C3' | C4' | H30 | 34.9° | 23.7° |
| O3' | C3' | C2' | H34 | 90.4° | 0.0° |
| O3' | C3' | C2' | H33 | 31.5° | 122.7° |
| C3' | C4' | O4' | H30 | 116.5° | 118.9° |
| C4' | C3' | C2' | H31 | 116.4° | 118.7° |
| C3' | C4' | O4' | C1' | 20.7° | 40.5° |
| C4' | C3' | C2' | C1' | 30.6° | 0.1° |
| C4' | C3' | O3' | H32 | 180.0° | 180.0° |
| C4' | C3' | C2' | H34 | 149.6° | 118.7° |
| C4' | C3' | C2' | H33 | 88.5° | 118.6° |
| C3' | C4' | C5' | H35 | 54.1° | 55.0° |
| C3' | C4' | C5' | H36 | 173.5° | 65.0° |
| O4' | C4' | C3' | C2' | 31.9° | 24.0° |
| C4' | O4' | C1' | C2' | 0.8° | 40.5° |
| C4' | O4' | C1' | N1 | 116.6° | 159.3° |
| C4' | O4' | C1' | H29 | 119.4° | 78.4° |
| O4' | C4' | C3' | H31 | 84.5° | 94.7° |
| O4' | C4' | C5' | H35 | 173.6° | 170.4° |
| O4' | C4' | C5' | H36 | 67.0° | 50.4° |
| C3' | C2' | C1' | O4' | 19.3° | 23.9° |
| C3' | C2' | C1' | H34 | 119.1° | 118.6° |
| C3' | C2' | C1' | H33 | 119.1° | 118.6° |
| C3' | C2' | C1' | N1 | 100.7° | 142.8° |
| C3' | C2' | C1' | H29 | 140.2° | 95.0° |
| C2' | C3' | C4' | H30 | 85.3° | 94.9° |
| C2' | C3' | O3' | H32 | 65.4° | 65.3° |
| C3' | C2' | H34 | H33 | 122.7° | 122.7° |
| O4' | C1' | C2' | N1 | 120.0° | 118.8° |
| O4' | C1' | C2' | H29 | 120.9° | 118.9° |
| O4' | C1' | N1 | H29 | 124.4° | 122.3° |
| O4' | C1' | N1 | C6 | 28.4° | 127.9° |
| O4' | C1' | N1 | C2 | 154.5° | 52.0° |
| C1' | O4' | C4' | H30 | 95.8° | 78.4° |
| O4' | C1' | C2' | H34 | 138.4° | 142.5° |
| O4' | C1' | C2' | H33 | 99.8° | 94.6° |
| C2' | C1' | N1 | H29 | 118.6° | 122.2° |
| C2' | C1' | N1 | C6 | 88.6° | 116.6° |
| C2' | C1' | N1 | C2 | 88.5° | 63.5° |
| C1' | C2' | C3' | H31 | 85.8° | 118.6° |
| C1' | C2' | H34 | H33 | 122.7° | 122.8° |
| C1' | N1 | C6 | C2 | 177.0° | 180.0° |
| C1' | N1 | C6 | C5 | 179.0° | 180.0° |
| C1' | N1 | C2 | O2 | 1.9° | 0.0° |
| C1' | N1 | C2 | N3 | 178.5° | 180.0° |
| C1' | N1 | C6 | H27 | 1.1° | 0.0° |
| N1 | C1' | C2' | H34 | 18.4° | 98.6° |
| N1 | C1' | C2' | H33 | 140.2° | 24.2° |
| N1 | C6 | C5 | H27 | 180.0° | 180.0° |
| N1 | C6 | C5 | C29 | 179.5° | 180.0° |
| N1 | C6 | C5 | C4 | 1.2° | 0.2° |
| C6 | N1 | C2 | O2 | 179.1° | 180.0° |
| C6 | N1 | C2 | N3 | 1.4° | 0.0° |
| C6 | N1 | C1' | H29 | 152.8° | 5.7° |
| C5 | C6 | N1 | C2 | 1.9° | 0.0° |
| C6 | C5 | C29 | C4 | 179.2° | 179.8° |
| C6 | C5 | C29 | C30 | 176.6° | 174.4° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C6 | C5 | C4 | O4 | 179.8° | 179.7° |
| C6 | C5 | C29 | H5M | 3.4° | 5.6° |
| N1 | C2 | O2 | N3 | 179.6° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.3° |
| C2 | N1 | C6 | H27 | 178.1° | 180.0° |
| N1 | C2 | N3 | H28 | 179.9° | 180.0° |
| C2 | N1 | C1' | H29 | 30.1° | 174.3° |
| C5 | C29 | C30 | H5M | 180.0° | 180.0° |
| C5 | C29 | C30 | C31 | 179.2° | 174.9° |
| C29 | C5 | C4 | N3 | 179.1° | 179.8° |
| C29 | C5 | C4 | O4 | 0.6° | 0.0° |
| C5 | C29 | C30 | H37 | 0.8° | 5.1° |
| C29 | C5 | C6 | H27 | 0.5° | 0.0° |
| C29 | C30 | C31 | H37 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 157.2° | 125.0° |
| C30 | C29 | C5 | C4 | 2.6° | 5.3° |
| C29 | C30 | C31 | H25 | 82.7° | 5.0° |
| C29 | C30 | C31 | H26 | 37.1° | 115.0° |
| C30 | C31 | C32 | H25 | 120.1° | 120.0° |
| C30 | C31 | C32 | H26 | 120.1° | 120.1° |
| C30 | C31 | C32 | C33 | 78.8° | 180.0° |
| C30 | C31 | C32 | H23 | 160.7° | 60.0° |
| C30 | C31 | C32 | H24 | 41.6° | 59.9° |
| C30 | C31 | H25 | H26 | 119.6° | 120.1° |
| C31 | C30 | C29 | H5M | 0.8° | 5.1° |
| C31 | C32 | C33 | H23 | 120.5° | 120.0° |
| C31 | C32 | C33 | H24 | 120.5° | 120.0° |
| C31 | C32 | C33 | N34 | 173.9° | 180.0° |
| C31 | C32 | C33 | H22 | 53.5° | 60.0° |
| C31 | C32 | C33 | H21 | 65.6° | 60.0° |
| C31 | C32 | H23 | H24 | 118.6° | 120.0° |
| C32 | C31 | H25 | H26 | 119.5° | 119.9° |
| C32 | C31 | C30 | H37 | 22.8° | 55.0° |
| C5 | C4 | N3 | C2 | 0.6° | 0.5° |
| C5 | C4 | N3 | O4 | 179.8° | 179.8° |
| C4 | C5 | C29 | H5M | 177.4° | 174.7° |
| C4 | C5 | C6 | H27 | 178.8° | 179.8° |
| C5 | C4 | N3 | H28 | 179.4° | 179.8° |
| O2 | C2 | N3 | C4 | 179.6° | 179.7° |
| O2 | C2 | N3 | H28 | 0.4° | 0.1° |
| C2 | N3 | C4 | H28 | 180.0° | 179.7° |
| C2 | N3 | C4 | O4 | 179.6° | 179.7° |
| C32 | C33 | N34 | H22 | 120.5° | 120.0° |
| C32 | C33 | N34 | H21 | 120.5° | 120.0° |
| C32 | C33 | N34 | C35 | 105.2° | 180.0° |
| C32 | C33 | N34 | H20 | 74.8° | 0.0° |
| C32 | C33 | H22 | H21 | 118.5° | 120.0° |
| C33 | C32 | H23 | H24 | 118.7° | 120.0° |
| C33 | C32 | C31 | H25 | 41.3° | 60.0° |
| C33 | C32 | C31 | H26 | 161.0° | 60.0° |
| O4 | C4 | N3 | H28 | 0.4° | 0.0° |
| C33 | N34 | C35 | O36 | 3.5° | 0.0° |
| C33 | N34 | C35 | H20 | 180.0° | 180.0° |
| C33 | N34 | C35 | C37 | 174.4° | 179.7° |
| N34 | C33 | H22 | H21 | 118.5° | 120.0° |
| N34 | C33 | C32 | H23 | 65.6° | 59.9° |
| N34 | C33 | C32 | H24 | 53.5° | 60.0° |
| O36 | C35 | N34 | C37 | 177.9° | 179.7° |
| O36 | C35 | C37 | C38 | 57.0° | 0.1° |
| O36 | C35 | C37 | H1 | 177.4° | 120.0° |
| O36 | C35 | C37 | H2 | 63.3° | 120.0° |
| O36 | C35 | N34 | H20 | 176.5° | 180.0° |
| N34 | C35 | C37 | C38 | 125.0° | 179.7° |
| N34 | C35 | C37 | H1 | 4.7° | 59.7° |
| N34 | C35 | C37 | H2 | 114.6° | 60.3° |
| C35 | N34 | C33 | H22 | 134.3° | 60.0° |
| C35 | N34 | C33 | H21 | 15.3° | 60.0° |
| C35 | C37 | C38 | H1 | 120.3° | 120.1° |
| C35 | C37 | C38 | H2 | 120.3° | 120.0° |
| C35 | C37 | C38 | C39 | 160.9° | 180.0° |
| C35 | C37 | H1 | H2 | 119.0° | 120.0° |
| C35 | C37 | C38 | H3 | 40.6° | 60.0° |
| C35 | C37 | C38 | H4 | 78.8° | 60.1° |
| C37 | C35 | N34 | H20 | 5.6° | 0.3° |
| C37 | C38 | C39 | H3 | 120.3° | 120.0° |
| C37 | C38 | C39 | H4 | 120.3° | 119.9° |
| C37 | C38 | C39 | C40 | 73.7° | 180.0° |
| C38 | C37 | H1 | H2 | 119.0° | 119.9° |
| C37 | C38 | H3 | H4 | 119.1° | 120.0° |
| C37 | C38 | C39 | H6 | 46.8° | 60.0° |
| C37 | C38 | C39 | H5 | 165.9° | 60.1° |
| C38 | C39 | C40 | H6 | 120.5° | 120.0° |
| C38 | C39 | C40 | H5 | 120.4° | 119.9° |
| C38 | C39 | C40 | C41 | 139.4° | 180.0° |
| C39 | C38 | C37 | H1 | 78.8° | 59.9° |
| C39 | C38 | C37 | H2 | 40.5° | 60.0° |
| C39 | C38 | H3 | H4 | 119.0° | 120.1° |
| C38 | C39 | H6 | H5 | 118.6° | 120.0° |
| C38 | C39 | C40 | H8 | 100.1° | 60.0° |
| C38 | C39 | C40 | H7 | 18.8° | 60.0° |
| C39 | C40 | C41 | H8 | 120.5° | 120.0° |
| C39 | C40 | C41 | H7 | 120.5° | 120.0° |
| C39 | C40 | C41 | C42 | 119.3° | 180.0° |
| C40 | C39 | C38 | H3 | 166.0° | 60.0° |
| C40 | C39 | C38 | H4 | 46.6° | 60.1° |
| C40 | C39 | H6 | H5 | 118.6° | 120.0° |
| C39 | C40 | H8 | H7 | 118.3° | 120.0° |
| C39 | C40 | C41 | H10 | 120.5° | 60.0° |
| C39 | C40 | C41 | H9 | 1.0° | 60.0° |
| C40 | C41 | C42 | H10 | 120.2° | 120.1° |
| C40 | C41 | C42 | H9 | 120.2° | 120.0° |
| C40 | C41 | C42 | C43 | 170.2° | 180.0° |
| C41 | C40 | C39 | H6 | 18.9° | 60.0° |
| C41 | C40 | C39 | H5 | 100.2° | 60.1° |
| C41 | C40 | H8 | H7 | 118.3° | 120.0° |
| C40 | C41 | H10 | H9 | 119.3° | 120.0° |
| C40 | C41 | C42 | H12 | 69.6° | 60.0° |
| C40 | C41 | C42 | H11 | 50.0° | 60.0° |
| C41 | C42 | C43 | H12 | 120.2° | 120.0° |
| C41 | C42 | C43 | H11 | 120.2° | 120.1° |
| C41 | C42 | C43 | C44 | 177.3° | 180.0° |
| C42 | C41 | C40 | H8 | 1.3° | 60.0° |
| C42 | C41 | C40 | H7 | 120.2° | 60.0° |
| C42 | C41 | H10 | H9 | 119.4° | 119.9° |
| C41 | C42 | H12 | H11 | 119.4° | 120.0° |
| C41 | C42 | C43 | H13 | 62.4° | 60.0° |
| C41 | C42 | C43 | H14 | 57.1° | 59.9° |
| C42 | C43 | C44 | H13 | 120.2° | 120.0° |
| C42 | C43 | C44 | H14 | 120.2° | 120.0° |
| C42 | C43 | C44 | C45 | 86.8° | 180.0° |
| C43 | C42 | C41 | H10 | 50.0° | 60.0° |
| C43 | C42 | C41 | H9 | 69.6° | 60.0° |
| C43 | C42 | H12 | H11 | 119.3° | 120.0° |
| C42 | C43 | H13 | H14 | 119.3° | 120.0° |
| C42 | C43 | C44 | H16 | 33.5° | 60.0° |
| C42 | C43 | C44 | H15 | 153.0° | 60.0° |
| C43 | C44 | C45 | H16 | 120.3° | 120.0° |
| C43 | C44 | C45 | H15 | 120.3° | 120.0° |
| C43 | C44 | C45 | O46 | 165.3° | 180.0° |
| C44 | C43 | C42 | H12 | 57.1° | 60.0° |
| C44 | C43 | C42 | H11 | 62.4° | 60.0° |
| C44 | C43 | H13 | H14 | 119.3° | 120.0° |
| C43 | C44 | H16 | H15 | 119.2° | 120.0° |
| C43 | C44 | C45 | H18 | 74.6° | 59.9° |
| C43 | C44 | C45 | H17 | 45.3° | 60.0° |
| C44 | C45 | O46 | H18 | 120.0° | 120.1° |
| C44 | C45 | O46 | H17 | 120.0° | 120.0° |
| C45 | C44 | C43 | H13 | 153.0° | 60.0° |
| C45 | C44 | C43 | H14 | 33.4° | 60.0° |
| C45 | C44 | H16 | H15 | 119.2° | 120.0° |
| C44 | C45 | H18 | H17 | 119.8° | 119.9° |
| C44 | C45 | O46 | H19 | 180.0° | 179.9° |
| O46 | C45 | C44 | H16 | 45.1° | 60.0° |
| O46 | C45 | C44 | H15 | 74.4° | 60.0° |
| O46 | C45 | H18 | H17 | 119.9° | 120.0° |
| H1 | C37 | C38 | H3 | 160.9° | 180.0° |
| H1 | C37 | C38 | H4 | 41.5° | 60.0° |
| H2 | C37 | C38 | H3 | 79.8° | 60.0° |
| H2 | C37 | C38 | H4 | 160.8° | 179.9° |
| H3 | C38 | C39 | H6 | 73.5° | 180.0° |
| H3 | C38 | C39 | H5 | 45.6° | 59.9° |
| H4 | C38 | C39 | H6 | 167.1° | 59.9° |
| H4 | C38 | C39 | H5 | 73.8° | 180.0° |
| H6 | C39 | C40 | H8 | 139.4° | 180.0° |
| H6 | C39 | C40 | H7 | 101.6° | 60.0° |
| H5 | C39 | C40 | H8 | 20.3° | 59.9° |
| H5 | C39 | C40 | H7 | 139.3° | 180.0° |
| H8 | C40 | C41 | H10 | 118.9° | 180.0° |
| H8 | C40 | C41 | H9 | 121.5° | 60.0° |
| H7 | C40 | C41 | H10 | 0.0° | 60.1° |
| H7 | C40 | C41 | H9 | 119.5° | 180.0° |
| H10 | C41 | C42 | H12 | 170.2° | 179.9° |
| H10 | C41 | C42 | H11 | 70.2° | 60.1° |
| H9 | C41 | C42 | H12 | 50.6° | 60.0° |
| H9 | C41 | C42 | H11 | 170.2° | 180.0° |
| H12 | C42 | C43 | H13 | 177.4° | 180.0° |
| H12 | C42 | C43 | H14 | 63.1° | 60.0° |
| H11 | C42 | C43 | H13 | 57.8° | 60.0° |
| H11 | C42 | C43 | H14 | 177.3° | 180.0° |
| H13 | C43 | C44 | H16 | 86.7° | 180.0° |
| H13 | C43 | C44 | H15 | 32.7° | 60.0° |
| H14 | C43 | C44 | H16 | 153.7° | 60.0° |
| H14 | C43 | C44 | H15 | 86.8° | NaN° |
| H16 | C44 | C45 | H18 | 165.1° | 180.0° |
| H16 | C44 | C45 | H17 | 75.0° | 60.0° |
| H15 | C44 | C45 | H18 | 45.6° | 60.1° |
| H15 | C44 | C45 | H17 | 165.6° | 180.0° |
| H18 | C45 | O46 | H19 | 60.0° | 59.9° |
| H17 | C45 | O46 | H19 | 60.0° | 60.1° |
| H20 | N34 | C33 | H22 | 45.7° | 120.0° |
| H20 | N34 | C33 | H21 | 164.7° | 120.0° |
| H22 | C33 | C32 | H23 | 173.9° | 180.0° |
| H22 | C33 | C32 | H24 | 67.0° | 60.1° |
| H21 | C33 | C32 | H23 | 54.9° | 60.0° |
| H21 | C33 | C32 | H24 | 173.9° | 180.0° |
| H23 | C32 | C31 | H25 | 79.2° | 180.0° |
| H23 | C32 | C31 | H26 | 40.5° | 60.0° |
| H24 | C32 | C31 | H25 | 161.8° | 60.1° |
| H24 | C32 | C31 | H26 | 78.5° | 180.0° |
| H25 | C31 | C30 | H37 | 97.3° | 175.0° |
| H26 | C31 | C30 | H37 | 142.9° | 65.0° |
| H37 | C30 | C29 | H5M | 179.2° | 174.9° |
| H29 | C1' | C2' | H34 | 100.7° | 23.6° |
| H29 | C1' | C2' | H33 | 21.2° | 146.4° |
| H30 | C4' | C3' | H31 | 158.3° | 146.4° |
| H30 | C4' | C5' | H35 | 64.9° | 67.3° |
| H30 | C4' | C5' | H36 | 54.5° | 172.7° |
| H31 | C3' | O3' | H32 | 57.4° | 57.3° |
| H31 | C3' | C2' | H34 | 33.2° | 122.7° |
| H31 | C3' | C2' | H33 | 155.1° | 0.0° |
