1HE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | SBK | sing | 1.81Å | 1.78Å | |
| SBK | CAQ | sing | 1.81Å | 1.83Å | |
| CAQ | CAR | sing | 1.53Å | 1.53Å | |
| CAR | CBM | sing | 1.51Å | 1.53Å | |
| OAE | CBM | doub | 1.21Å | 1.23Å | |
| CBM | SBL | sing | 1.71Å | 1.76Å | |
| SBL | CAV | sing | 1.81Å | 1.83Å | |
| CAV | CAT | sing | 1.53Å | 1.53Å | |
| CAT | NBC | sing | 1.46Å | 1.47Å | |
| NBC | CBN | sing | 1.35Å | 1.34Å | |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.33Å | Aromatic |
| CBN | CAW | sing | 1.51Å | 1.53Å | |
| CBN | OAF | doub | 1.21Å | 1.23Å | |
| C2 | N3 | doub | 1.32Å | 1.40Å | Aromatic |
| CAW | CAU | sing | 1.53Å | 1.53Å | |
| C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.34Å | Aromatic |
| CAB | CBY | sing | 1.53Å | 1.53Å | |
| N7 | C8 | doub | 1.30Å | 1.48Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| CAU | NBD | sing | 1.47Å | 1.47Å | |
| C8 | N9 | sing | 1.36Å | 1.48Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.48Å | |
| NBD | CBO | sing | 1.35Å | 1.34Å | |
| CBY | CAC | sing | 1.53Å | 1.53Å | |
| CBY | CAZ | sing | 1.53Å | 1.53Å | |
| CBY | CBT | sing | 1.53Å | 1.53Å | |
| CBO | OAG | doub | 1.21Å | 1.23Å | |
| CBO | CBT | sing | 1.51Å | 1.53Å | |
| CAZ | OBG | sing | 1.43Å | 1.43Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| OAL | CBT | sing | 1.43Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| OBG | PCB | sing | 1.61Å | 1.61Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| OAJ | PCB | doub | 1.48Å | 1.48Å | |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| O3' | PBZ | sing | 1.61Å | 1.61Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| OBJ | PCB | sing | 1.61Å | 1.61Å | |
| OBJ | PCA | sing | 1.61Å | 1.61Å | |
| O5' | PCA | sing | 1.61Å | 1.61Å | |
| PCB | OAP | sing | 1.61Å | 1.61Å | |
| OAN | PBZ | doub | 1.48Å | 1.61Å | |
| PCA | OAI | doub | 1.48Å | 1.48Å | |
| PCA | OAO | sing | 1.61Å | 1.61Å | |
| PBZ | OAM | sing | 1.61Å | 1.61Å | |
| PBZ | OAH | sing | 1.61Å | 1.48Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| NBC | H2 | sing | 0.97Å | 1.00Å | |
| CAW | H3 | sing | 1.09Å | 1.10Å | |
| CAW | H4 | sing | 1.09Å | 1.10Å | |
| CAU | H5 | sing | 1.09Å | 1.10Å | |
| CAU | H6 | sing | 1.09Å | 1.10Å | |
| NBD | H7 | sing | 0.97Å | 1.00Å | |
| CBT | H8 | sing | 1.09Å | 1.10Å | |
| OAL | H9 | sing | 0.97Å | 0.95Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CAB | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å | |
| CAC | H15 | sing | 1.09Å | 1.10Å | |
| CAZ | H16 | sing | 1.09Å | 1.10Å | |
| CAZ | H17 | sing | 1.09Å | 1.10Å | |
| OAP | H18 | sing | 0.97Å | 0.95Å | |
| OAO | H19 | sing | 0.97Å | 0.95Å | |
| C5' | H20 | sing | 1.09Å | 1.10Å | |
| C5' | H21 | sing | 1.09Å | 1.10Å | |
| C4' | H22 | sing | 1.09Å | 1.10Å | |
| C3' | H23 | sing | 1.09Å | 1.10Å | |
| OAM | H24 | sing | 0.97Å | 0.95Å | |
| OAH | H25 | sing | 0.97Å | 0.95Å | |
| C2' | H26 | sing | 1.09Å | 1.10Å | |
| O2' | H27 | sing | 0.97Å | 0.95Å | |
| C1' | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.08Å | 1.08Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å | |
| CAA | H32 | sing | 1.09Å | 1.10Å | |
| CAA | H33 | sing | 1.09Å | 1.10Å | |
| CAA | H34 | sing | 1.09Å | 1.10Å | |
| CAQ | H35 | sing | 1.09Å | 1.10Å | |
| CAQ | H36 | sing | 1.09Å | 1.10Å | |
| CAR | H37 | sing | 1.09Å | 1.10Å | |
| CAR | H38 | sing | 1.09Å | 1.10Å | |
| CAV | H39 | sing | 1.09Å | 1.10Å | |
| CAV | H40 | sing | 1.09Å | 1.10Å | |
| CAT | H41 | sing | 1.09Å | 1.10Å | |
| CAT | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | SBK | CAQ | 100.5° | 103.0° |
| SBK | CAA | H32 | 109.5° | 109.5° |
| SBK | CAA | H33 | 109.5° | 109.5° |
| SBK | CAA | H34 | 109.4° | 109.5° |
| SBK | CAQ | CAR | 112.5° | 109.5° |
| SBK | CAQ | H35 | 108.7° | 109.4° |
| SBK | CAQ | H36 | 108.7° | 109.5° |
| CAQ | CAR | CBM | 110.2° | 109.5° |
| CAR | CAQ | H35 | 108.7° | 109.5° |
| CAR | CAQ | H36 | 108.7° | 109.5° |
| CAQ | CAR | H37 | 109.3° | 109.5° |
| CAQ | CAR | H38 | 109.3° | 109.5° |
| CAR | CBM | OAE | 121.4° | 120.0° |
| CAR | CBM | SBL | 114.5° | 120.0° |
| CBM | CAR | H37 | 109.3° | 109.5° |
| CBM | CAR | H38 | 109.3° | 109.4° |
| OAE | CBM | SBL | 123.8° | 120.0° |
| CBM | SBL | CAV | 100.7° | 100.0° |
| SBL | CAV | CAT | 113.8° | 109.5° |
| SBL | CAV | H39 | 108.4° | 109.5° |
| SBL | CAV | H40 | 108.4° | 109.5° |
| CAV | CAT | NBC | 109.3° | 109.5° |
| CAT | CAV | H39 | 108.4° | 109.4° |
| CAT | CAV | H40 | 108.4° | 109.5° |
| CAV | CAT | H41 | 109.5° | 109.5° |
| CAV | CAT | H42 | 109.5° | 109.5° |
| CAT | NBC | CBN | 122.2° | 120.0° |
| CAT | NBC | H2 | 118.9° | 120.0° |
| NBC | CAT | H41 | 109.5° | 109.5° |
| NBC | CAT | H42 | 109.5° | 109.5° |
| NBC | CBN | CAW | 115.1° | 120.0° |
| NBC | CBN | OAF | 123.9° | 120.0° |
| CBN | NBC | H2 | 118.9° | 120.0° |
| N6 | C6 | N1 | 121.1° | 120.8° |
| N6 | C6 | C5 | 116.2° | 120.8° |
| C6 | N6 | H30 | 109.5° | 120.0° |
| C6 | N6 | H31 | 109.5° | 120.0° |
| C6 | N1 | C2 | 118.6° | 121.2° |
| N1 | C6 | C5 | 122.6° | 118.5° |
| N1 | C2 | N3 | 117.4° | 122.5° |
| N1 | C2 | H29 | 121.3° | 118.7° |
| C6 | C5 | N7 | 129.0° | 134.7° |
| C6 | C5 | C4 | 120.3° | 118.2° |
| CAW | CBN | OAF | 121.1° | 120.0° |
| CBN | CAW | CAU | 108.9° | 109.5° |
| CBN | CAW | H3 | 109.6° | 109.5° |
| CBN | CAW | H4 | 109.6° | 109.5° |
| C2 | N3 | C4 | 120.7° | 120.7° |
| N3 | C2 | H29 | 121.3° | 118.8° |
| CAW | CAU | NBD | 111.4° | 109.5° |
| CAU | CAW | H3 | 109.6° | 109.5° |
| CAU | CAW | H4 | 109.6° | 109.4° |
| CAW | CAU | H5 | 109.0° | 109.5° |
| CAW | CAU | H6 | 109.0° | 109.5° |
| N7 | C5 | C4 | 110.6° | 107.1° |
| C5 | N7 | C8 | 108.8° | 109.4° |
| C5 | C4 | N3 | 120.3° | 119.1° |
| C5 | C4 | N9 | 110.7° | 106.0° |
| CAB | CBY | CAC | 109.6° | 109.5° |
| CAB | CBY | CAZ | 109.3° | 109.4° |
| CAB | CBY | CBT | 110.1° | 109.5° |
| CBY | CAB | H10 | 109.5° | 109.6° |
| CBY | CAB | H11 | 109.5° | 109.5° |
| CBY | CAB | H12 | 109.4° | 109.4° |
| N7 | C8 | N9 | 100.9° | 110.0° |
| N7 | C8 | H1 | 129.5° | 125.0° |
| N3 | C4 | N9 | 129.0° | 134.9° |
| C4 | N9 | C8 | 108.9° | 107.4° |
| C4 | N9 | C1' | 126.0° | 126.3° |
| CAU | NBD | CBO | 122.7° | 120.0° |
| NBD | CAU | H5 | 109.0° | 109.4° |
| NBD | CAU | H6 | 109.0° | 109.4° |
| CAU | NBD | H7 | 118.6° | 120.0° |
| C8 | N9 | C1' | 124.9° | 126.3° |
| N9 | C8 | H1 | 129.6° | 125.0° |
| N9 | C1' | O4' | 111.2° | 110.4° |
| N9 | C1' | C2' | 110.9° | 110.4° |
| N9 | C1' | H28 | 110.6° | 110.5° |
| NBD | CBO | OAG | 124.0° | 120.0° |
| NBD | CBO | CBT | 115.3° | 120.0° |
| CBO | NBD | H7 | 118.6° | 120.0° |
| CAC | CBY | CAZ | 109.6° | 109.4° |
| CAC | CBY | CBT | 109.3° | 109.4° |
| CBY | CAC | H13 | 109.5° | 109.5° |
| CBY | CAC | H14 | 109.5° | 109.5° |
| CBY | CAC | H15 | 109.5° | 109.6° |
| CAZ | CBY | CBT | 108.9° | 109.5° |
| CBY | CAZ | OBG | 109.4° | 109.5° |
| CBY | CAZ | H16 | 109.5° | 109.5° |
| CBY | CAZ | H17 | 109.5° | 109.4° |
| CBY | CBT | CBO | 111.6° | 109.5° |
| CBY | CBT | OAL | 110.3° | 109.5° |
| CBY | CBT | H8 | 107.7° | 109.4° |
| OAG | CBO | CBT | 120.7° | 120.1° |
| CBO | CBT | OAL | 110.3° | 109.5° |
| CBO | CBT | H8 | 107.7° | 109.5° |
| CAZ | OBG | PCB | 120.5° | 123.0° |
| OBG | CAZ | H16 | 109.5° | 109.4° |
| OBG | CAZ | H17 | 109.5° | 109.5° |
| O4' | C1' | C2' | 102.8° | 104.8° |
| C1' | O4' | C4' | 107.4° | 105.3° |
| O4' | C1' | H28 | 111.2° | 110.4° |
| C1' | C2' | O2' | 109.2° | 110.5° |
| C1' | C2' | C3' | 98.4° | 104.1° |
| C1' | C2' | H26 | 112.2° | 110.6° |
| C2' | C1' | H28 | 110.0° | 110.3° |
| O4' | C4' | C5' | 107.6° | 110.3° |
| O4' | C4' | C3' | 106.1° | 104.8° |
| O4' | C4' | H22 | 112.2° | 110.4° |
| OAL | CBT | H8 | 109.0° | 109.4° |
| CBT | OAL | H9 | 109.5° | 114.0° |
| C5' | C4' | C3' | 108.8° | 110.4° |
| C4' | C5' | O5' | 109.3° | 109.5° |
| C4' | C5' | H20 | 109.5° | 109.5° |
| C4' | C5' | H21 | 109.5° | 109.5° |
| C5' | C4' | H22 | 110.9° | 110.3° |
| C4' | C3' | C2' | 101.6° | 104.1° |
| C4' | C3' | O3' | 110.1° | 110.5° |
| C3' | C4' | H22 | 111.0° | 110.4° |
| C4' | C3' | H23 | 110.8° | 110.5° |
| OBG | PCB | OAJ | 112.7° | 109.5° |
| OBG | PCB | OBJ | 106.7° | 109.4° |
| OBG | PCB | OAP | 105.9° | 109.4° |
| O2' | C2' | C3' | 110.2° | 110.5° |
| O2' | C2' | H26 | 113.5° | 110.5° |
| C2' | O2' | H27 | 109.5° | 114.0° |
| C2' | C3' | O3' | 111.0° | 110.6° |
| C2' | C3' | H23 | 110.8° | 110.6° |
| C3' | C2' | H26 | 112.2° | 110.5° |
| OAJ | PCB | OBJ | 111.5° | 109.5° |
| OAJ | PCB | OAP | 113.4° | 109.5° |
| C3' | O3' | PBZ | 118.4° | 123.0° |
| O3' | C3' | H23 | 112.1° | 110.5° |
| O3' | PBZ | OAN | 105.7° | 109.5° |
| O3' | PBZ | OAM | 106.7° | 109.5° |
| O3' | PBZ | OAH | 112.0° | 109.5° |
| C5' | O5' | PCA | 119.4° | 123.0° |
| O5' | C5' | H20 | 109.5° | 109.5° |
| O5' | C5' | H21 | 109.5° | 109.5° |
| PCB | OBJ | PCA | 122.9° | 133.9° |
| OBJ | PCB | OAP | 106.1° | 109.5° |
| OBJ | PCA | O5' | 103.9° | 109.5° |
| OBJ | PCA | OAI | 113.3° | 109.5° |
| OBJ | PCA | OAO | 106.8° | 109.5° |
| O5' | PCA | OAI | 113.4° | 109.5° |
| O5' | PCA | OAO | 105.8° | 109.4° |
| PCB | OAP | H18 | 109.5° | 114.0° |
| OAN | PBZ | OAM | 106.5° | 109.5° |
| OAN | PBZ | OAH | 112.9° | 109.5° |
| OAI | PCA | OAO | 112.9° | 109.4° |
| PCA | OAO | H19 | 109.5° | 114.1° |
| OAM | PBZ | OAH | 112.5° | 109.4° |
| PBZ | OAM | H24 | 109.5° | 114.0° |
| PBZ | OAH | H25 | 109.5° | 114.0° |
| H3 | CAW | H4 | 109.5° | 109.5° |
| H5 | CAU | H6 | 109.5° | 109.5° |
| H10 | CAB | H11 | 109.4° | 109.5° |
| H10 | CAB | H12 | 109.5° | 109.5° |
| H11 | CAB | H12 | 109.5° | 109.4° |
| H13 | CAC | H14 | 109.5° | 109.4° |
| H13 | CAC | H15 | 109.4° | 109.5° |
| H14 | CAC | H15 | 109.5° | 109.5° |
| H16 | CAZ | H17 | 109.5° | 109.4° |
| H20 | C5' | H21 | 109.4° | 109.4° |
| H30 | N6 | H31 | 109.5° | 119.9° |
| H32 | CAA | H33 | 109.5° | 109.5° |
| H32 | CAA | H34 | 109.5° | 109.5° |
| H33 | CAA | H34 | 109.5° | 109.4° |
| H35 | CAQ | H36 | 109.5° | 109.4° |
| H37 | CAR | H38 | 109.5° | 109.5° |
| H39 | CAV | H40 | 109.5° | 109.4° |
| H41 | CAT | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | SBK | CAQ | CAR | 174.2° | 180.0° |
| SBK | CAA | H32 | H33 | 120.0° | 120.0° |
| SBK | CAA | H32 | H34 | 120.0° | 120.0° |
| SBK | CAA | H33 | H34 | 120.0° | 120.0° |
| CAA | SBK | CAQ | H35 | 65.4° | 60.0° |
| CAA | SBK | CAQ | H36 | 53.8° | 60.0° |
| SBK | CAQ | CAR | H35 | 120.4° | 120.0° |
| SBK | CAQ | CAR | H36 | 120.4° | 120.0° |
| SBK | CAQ | CAR | CBM | 167.3° | 180.0° |
| CAQ | SBK | CAA | H32 | 180.0° | 60.0° |
| CAQ | SBK | CAA | H33 | 60.0° | 60.0° |
| CAQ | SBK | CAA | H34 | 60.0° | 180.0° |
| SBK | CAQ | H35 | H36 | 118.6° | 119.9° |
| SBK | CAQ | CAR | H37 | 47.2° | 60.0° |
| SBK | CAQ | CAR | H38 | 72.6° | 60.1° |
| CAQ | CAR | CBM | H37 | 120.1° | 120.1° |
| CAQ | CAR | CBM | H38 | 120.1° | 120.0° |
| CAQ | CAR | CBM | OAE | 36.9° | 0.1° |
| CAQ | CAR | CBM | SBL | 137.7° | 180.0° |
| CAR | CAQ | H35 | H36 | 118.6° | 120.0° |
| CAQ | CAR | H37 | H38 | 119.7° | 120.0° |
| CAR | CBM | OAE | SBL | 174.0° | 179.9° |
| CAR | CBM | SBL | CAV | 177.6° | 179.9° |
| CBM | CAR | CAQ | H35 | 72.3° | 60.0° |
| CBM | CAR | CAQ | H36 | 46.9° | 60.0° |
| CBM | CAR | H37 | H38 | 119.7° | 119.9° |
| OAE | CBM | SBL | CAV | 3.2° | 0.0° |
| OAE | CBM | CAR | H37 | 157.0° | 120.0° |
| OAE | CBM | CAR | H38 | 83.2° | 120.0° |
| CBM | SBL | CAV | CAT | 71.3° | 180.0° |
| SBL | CBM | CAR | H37 | 17.6° | 59.9° |
| SBL | CBM | CAR | H38 | 102.2° | 60.0° |
| CBM | SBL | CAV | H39 | 49.4° | 60.0° |
| CBM | SBL | CAV | H40 | 168.1° | 60.0° |
| SBL | CAV | CAT | H39 | 120.6° | 120.0° |
| SBL | CAV | CAT | H40 | 120.6° | 120.1° |
| SBL | CAV | CAT | NBC | 178.0° | 180.0° |
| SBL | CAV | H39 | H40 | 118.0° | 120.0° |
| SBL | CAV | CAT | H41 | 58.1° | 60.0° |
| SBL | CAV | CAT | H42 | 62.0° | 60.0° |
| CAV | CAT | NBC | H41 | 120.0° | 120.0° |
| CAV | CAT | NBC | H42 | 120.0° | 120.0° |
| CAV | CAT | NBC | CBN | 91.7° | 180.0° |
| CAV | CAT | NBC | H2 | 88.3° | 0.0° |
| CAT | CAV | H39 | H40 | 118.1° | 120.0° |
| CAV | CAT | H41 | H42 | 120.1° | 120.0° |
| CAT | NBC | CBN | H2 | 180.0° | 180.0° |
| CAT | NBC | CBN | CAW | 179.8° | 180.0° |
| CAT | NBC | CBN | OAF | 0.0° | 0.0° |
| NBC | CAT | CAV | H39 | 61.3° | 60.0° |
| NBC | CAT | CAV | H40 | 57.4° | 60.0° |
| NBC | CAT | H41 | H42 | 120.1° | 120.0° |
| NBC | CBN | CAW | OAF | 179.7° | 180.0° |
| NBC | CBN | CAW | CAU | 140.5° | 180.0° |
| NBC | CBN | CAW | H3 | 99.5° | 60.0° |
| NBC | CBN | CAW | H4 | 20.6° | 60.0° |
| CBN | NBC | CAT | H41 | 28.2° | 60.0° |
| CBN | NBC | CAT | H42 | 148.3° | 60.0° |
| N6 | C6 | N1 | C5 | 178.9° | 180.0° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| N6 | C6 | C5 | N7 | 1.9° | 0.0° |
| N6 | C6 | C5 | C4 | 178.1° | 180.0° |
| C6 | N6 | H30 | H31 | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.2° |
| N1 | C6 | C5 | N7 | 177.0° | 180.0° |
| N1 | C6 | C5 | C4 | 2.9° | 0.1° |
| C6 | N1 | C2 | H29 | 179.9° | 179.9° |
| N1 | C6 | N6 | H30 | 0.0° | 180.0° |
| N1 | C6 | N6 | H31 | 120.0° | 0.0° |
| C2 | N1 | C6 | C5 | 1.2° | 0.1° |
| N1 | C2 | N3 | H29 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.4° | 0.5° |
| C6 | C5 | N7 | C4 | 179.9° | 179.9° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 3.4° | 0.2° |
| C6 | C5 | C4 | N9 | 178.7° | 180.0° |
| C5 | C6 | N6 | H30 | 178.9° | 0.0° |
| C5 | C6 | N6 | H31 | 61.0° | 180.0° |
| CBN | CAW | CAU | H3 | 119.9° | 120.0° |
| CBN | CAW | CAU | H4 | 119.9° | 120.0° |
| CBN | CAW | CAU | NBD | 177.2° | 180.0° |
| CAW | CBN | NBC | H2 | 0.3° | 0.0° |
| CBN | CAW | H3 | H4 | 120.3° | 120.0° |
| CBN | CAW | CAU | H5 | 57.0° | 60.0° |
| CBN | CAW | CAU | H6 | 62.5° | 60.0° |
| OAF | CBN | CAW | CAU | 39.2° | 0.0° |
| OAF | CBN | NBC | H2 | 180.0° | 179.9° |
| OAF | CBN | CAW | H3 | 80.7° | 120.1° |
| OAF | CBN | CAW | H4 | 159.1° | 119.9° |
| C2 | N3 | C4 | C5 | 2.2° | 0.5° |
| C2 | N3 | C4 | N9 | 179.7° | 179.8° |
| CAW | CAU | NBD | H5 | 120.3° | 120.0° |
| CAW | CAU | NBD | H6 | 120.3° | 120.0° |
| CAW | CAU | NBD | CBO | 83.5° | 180.0° |
| CAU | CAW | H3 | H4 | 120.2° | 120.0° |
| CAW | CAU | H5 | H6 | 119.1° | 120.0° |
| CAW | CAU | NBD | H7 | 96.5° | 0.0° |
| N7 | C5 | C4 | N3 | 176.5° | 179.7° |
| N7 | C5 | C4 | N9 | 1.4° | 0.1° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| C5 | N7 | C8 | H1 | 179.1° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N3 | N9 | 177.5° | 179.7° |
| C5 | C4 | N9 | C8 | 2.0° | 0.0° |
| C5 | C4 | N9 | C1' | 177.1° | 180.0° |
| CAB | CBY | CAC | CAZ | 119.9° | 119.9° |
| CAB | CBY | CAC | CBT | 120.7° | 120.1° |
| CAB | CBY | CAZ | CBT | 120.3° | 120.1° |
| CAB | CBY | CBT | CBO | 55.1° | 66.0° |
| CAB | CBY | CAZ | OBG | 176.1° | 60.0° |
| CAB | CBY | CBT | OAL | 68.0° | 174.0° |
| CAB | CBY | CBT | H8 | 173.1° | 54.0° |
| CBY | CAB | H10 | H11 | 120.0° | 120.1° |
| CBY | CAB | H10 | H12 | 120.0° | 120.0° |
| CBY | CAB | H11 | H12 | 120.0° | 119.9° |
| CAB | CBY | CAC | H13 | 180.0° | 59.9° |
| CAB | CBY | CAC | H14 | 60.0° | 60.0° |
| CAB | CBY | CAC | H15 | 60.0° | 180.0° |
| CAB | CBY | CAZ | H16 | 63.9° | 180.0° |
| CAB | CBY | CAZ | H17 | 56.1° | 60.1° |
| N7 | C8 | N9 | C4 | 1.7° | 0.0° |
| N7 | C8 | N9 | H1 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 176.9° | 179.9° |
| N3 | C4 | N9 | C8 | 175.7° | 179.7° |
| N3 | C4 | N9 | C1' | 0.6° | 0.2° |
| C4 | N3 | C2 | H29 | 179.5° | 179.8° |
| C4 | N9 | C8 | C1' | 175.1° | 179.9° |
| C4 | N9 | C1' | O4' | 142.9° | 156.5° |
| C4 | N9 | C1' | C2' | 103.3° | 88.2° |
| C4 | N9 | C8 | H1 | 178.3° | 180.0° |
| C4 | N9 | C1' | H28 | 19.0° | 34.0° |
| CAU | NBD | CBO | H7 | 180.0° | 180.0° |
| CAU | NBD | CBO | OAG | 0.8° | 5.1° |
| CAU | NBD | CBO | CBT | 178.8° | 174.9° |
| NBD | CAU | CAW | H3 | 62.8° | 60.0° |
| NBD | CAU | CAW | H4 | 57.3° | 60.0° |
| NBD | CAU | H5 | H6 | 119.1° | 119.9° |
| C8 | N9 | C1' | O4' | 42.8° | 23.4° |
| C8 | N9 | C1' | C2' | 70.9° | 91.9° |
| C8 | N9 | C1' | H28 | 166.8° | 145.9° |
| N9 | C1' | O4' | C2' | 118.7° | 118.8° |
| N9 | C1' | O4' | H28 | 123.6° | 122.4° |
| N9 | C1' | C2' | H28 | 122.6° | 122.3° |
| N9 | C1' | O4' | C4' | 152.3° | 159.3° |
| N9 | C1' | C2' | O2' | 78.7° | 98.5° |
| N9 | C1' | C2' | C3' | 166.4° | 142.8° |
| C1' | N9 | C8 | H1 | 3.1° | 0.1° |
| N9 | C1' | C2' | H26 | 48.1° | 24.1° |
| NBD | CBO | CBT | CBY | 104.4° | 108.3° |
| NBD | CBO | OAG | CBT | 177.9° | 180.0° |
| NBD | CBO | CBT | OAL | 18.7° | 11.8° |
| CBO | NBD | CAU | H5 | 156.2° | 60.0° |
| CBO | NBD | CAU | H6 | 36.8° | 60.0° |
| NBD | CBO | CBT | H8 | 137.6° | 131.8° |
| CAC | CBY | CAZ | CBT | 119.6° | 120.0° |
| CAC | CBY | CBT | CBO | 65.4° | 54.1° |
| CAC | CBY | CAZ | OBG | 63.8° | 60.0° |
| CAC | CBY | CBT | OAL | 171.6° | 65.9° |
| CAC | CBY | CBT | H8 | 52.7° | 174.1° |
| CAC | CBY | CAB | H10 | 180.0° | 64.3° |
| CAC | CBY | CAB | H11 | 60.0° | 175.6° |
| CAC | CBY | CAB | H12 | 60.0° | 55.7° |
| CBY | CAC | H13 | H14 | 120.0° | 120.0° |
| CBY | CAC | H13 | H15 | 120.0° | 120.1° |
| CBY | CAC | H14 | H15 | 120.0° | 120.1° |
| CAC | CBY | CAZ | H16 | 56.2° | 60.0° |
| CAC | CBY | CAZ | H17 | 176.2° | 179.9° |
| CAZ | CBY | CBT | CBO | 174.9° | 174.0° |
| CBY | CAZ | OBG | H16 | 120.0° | 120.0° |
| CBY | CAZ | OBG | H17 | 120.0° | 120.0° |
| CAZ | CBY | CBT | OAL | 51.8° | 54.0° |
| CBY | CAZ | OBG | PCB | 153.8° | 180.0° |
| CAZ | CBY | CBT | H8 | 67.1° | 66.0° |
| CAZ | CBY | CAB | H10 | 59.9° | 55.6° |
| CAZ | CBY | CAB | H11 | 60.1° | 64.4° |
| CAZ | CBY | CAB | H12 | 179.9° | 175.6° |
| CAZ | CBY | CAC | H13 | 60.1° | 60.0° |
| CAZ | CBY | CAC | H14 | 179.9° | 179.9° |
| CAZ | CBY | CAC | H15 | 59.9° | 60.0° |
| CBY | CAZ | H16 | H17 | 120.0° | 119.9° |
| CBY | CBT | CBO | OAG | 77.5° | 71.7° |
| CBY | CBT | CBO | OAL | 123.1° | 120.0° |
| CBY | CBT | CBO | H8 | 118.0° | 120.0° |
| CBT | CBY | CAZ | OBG | 55.8° | 180.0° |
| CBY | CBT | OAL | H8 | 118.1° | 120.0° |
| CBY | CBT | OAL | H9 | 116.3° | 60.1° |
| CBT | CBY | CAB | H10 | 59.7° | 175.6° |
| CBT | CBY | CAB | H11 | 179.7° | 55.6° |
| CBT | CBY | CAB | H12 | 60.3° | 64.3° |
| CBT | CBY | CAC | H13 | 59.3° | 180.0° |
| CBT | CBY | CAC | H14 | 60.8° | 60.1° |
| CBT | CBY | CAC | H15 | 179.3° | 60.0° |
| CBT | CBY | CAZ | H16 | 175.8° | 59.9° |
| CBT | CBY | CAZ | H17 | 64.2° | 60.0° |
| OAG | CBO | CBT | OAL | 159.4° | 168.2° |
| OAG | CBO | NBD | H7 | 179.3° | 174.9° |
| OAG | CBO | CBT | H8 | 40.5° | 48.3° |
| CBO | CBT | OAL | H8 | 118.1° | 120.0° |
| CBT | CBO | NBD | H7 | 1.3° | 5.1° |
| CBO | CBT | OAL | H9 | 119.9° | 60.0° |
| CAZ | OBG | PCB | OAJ | 64.7° | 55.0° |
| CAZ | OBG | PCB | OBJ | 58.0° | 175.0° |
| CAZ | OBG | PCB | OAP | 170.8° | 65.0° |
| OBG | CAZ | H16 | H17 | 120.0° | 120.0° |
| O4' | C1' | C2' | H28 | 118.5° | 118.8° |
| C1' | O4' | C4' | C5' | 121.9° | 159.4° |
| C1' | O4' | C4' | C3' | 5.6° | 40.5° |
| O4' | C1' | C2' | O2' | 162.4° | 142.6° |
| O4' | C1' | C2' | C3' | 47.4° | 24.0° |
| C1' | O4' | C4' | H22 | 115.8° | 78.4° |
| O4' | C1' | C2' | H26 | 70.8° | 94.7° |
| C2' | C1' | O4' | C4' | 33.6° | 40.5° |
| C1' | C2' | C3' | C4' | 42.8° | 0.0° |
| C1' | C2' | O2' | C3' | 107.1° | 114.7° |
| C1' | C2' | O2' | H26 | 126.1° | 122.7° |
| C1' | C2' | C3' | H26 | 118.2° | 118.8° |
| C1' | C2' | C3' | O3' | 74.2° | 118.7° |
| C1' | C2' | C3' | H23 | 160.6° | 118.6° |
| C1' | C2' | O2' | H27 | 180.0° | 65.4° |
| O4' | C4' | C5' | C3' | 114.6° | 115.3° |
| O4' | C4' | C5' | H22 | 123.1° | 122.3° |
| O4' | C4' | C3' | H22 | 122.2° | 118.9° |
| O4' | C4' | C3' | C2' | 24.4° | 24.0° |
| O4' | C4' | C3' | O3' | 93.2° | 142.8° |
| O4' | C4' | C5' | O5' | 58.9° | 69.6° |
| O4' | C4' | C5' | H20 | 61.1° | 50.4° |
| O4' | C4' | C5' | H21 | 178.8° | 170.3° |
| O4' | C4' | C3' | H23 | 142.2° | 94.7° |
| C4' | O4' | C1' | H28 | 84.0° | 78.2° |
| C5' | C4' | C3' | H22 | 122.3° | 122.3° |
| C5' | C4' | C3' | C2' | 91.1° | 142.8° |
| C5' | C4' | C3' | O3' | 151.2° | 98.4° |
| C4' | C5' | O5' | H20 | 120.0° | 120.0° |
| C4' | C5' | O5' | H21 | 120.0° | 120.0° |
| C4' | C5' | O5' | PCA | 178.0° | 180.0° |
| C4' | C5' | H20 | H21 | 120.1° | 120.0° |
| C5' | C4' | C3' | H23 | 26.7° | 24.1° |
| C4' | C3' | C2' | O2' | 157.0° | 118.6° |
| C4' | C3' | C2' | O3' | 117.1° | 118.7° |
| C4' | C3' | C2' | H23 | 117.8° | 118.6° |
| C4' | C3' | O3' | H23 | 123.8° | 122.5° |
| C4' | C3' | O3' | PBZ | 104.9° | 120.0° |
| C3' | C4' | C5' | O5' | 55.7° | 175.0° |
| C3' | C4' | C5' | H20 | 175.7° | 65.0° |
| C3' | C4' | C5' | H21 | 64.3° | 55.0° |
| C4' | C3' | C2' | H26 | 75.4° | 118.8° |
| OBG | PCB | OAJ | OBJ | 120.0° | 120.0° |
| OBG | PCB | OAJ | OAP | 120.3° | 120.0° |
| OBG | PCB | OBJ | OAP | 112.6° | 119.9° |
| OBG | PCB | OBJ | PCA | 84.0° | 160.0° |
| PCB | OBG | CAZ | H16 | 86.2° | 60.0° |
| PCB | OBG | CAZ | H17 | 33.8° | 60.0° |
| OBG | PCB | OAP | H18 | 124.1° | 60.0° |
| O2' | C2' | C3' | H26 | 127.6° | 122.6° |
| O2' | C2' | C3' | O3' | 40.0° | 0.0° |
| O2' | C2' | C3' | H23 | 85.2° | 122.7° |
| O2' | C2' | C1' | H28 | 43.9° | 23.8° |
| C2' | C3' | O3' | H23 | 124.5° | 122.8° |
| C2' | C3' | O3' | PBZ | 143.4° | 125.3° |
| C2' | C3' | C4' | H22 | 146.6° | 94.9° |
| C3' | C2' | O2' | H27 | 72.9° | 179.9° |
| C3' | C2' | C1' | H28 | 71.0° | 94.9° |
| OAJ | PCB | OBJ | OAP | 123.9° | 120.0° |
| OAJ | PCB | OBJ | PCA | 152.5° | 40.0° |
| OAJ | PCB | OAP | H18 | 0.0° | 180.0° |
| C3' | O3' | PBZ | OAN | 177.1° | 55.0° |
| C3' | O3' | PBZ | OAM | 64.0° | 175.0° |
| C3' | O3' | PBZ | OAH | 59.6° | 65.0° |
| O3' | C3' | C4' | H22 | 29.0° | 23.9° |
| O3' | C3' | C2' | H26 | 167.5° | 122.5° |
| O3' | PBZ | OAN | OAM | 113.3° | 120.0° |
| O3' | PBZ | OAN | OAH | 122.7° | 120.0° |
| O3' | PBZ | OAM | OAH | 123.2° | 120.0° |
| PBZ | O3' | C3' | H23 | 18.9° | 2.5° |
| O3' | PBZ | OAM | H24 | 112.6° | 180.0° |
| O3' | PBZ | OAH | H25 | 119.2° | 59.9° |
| C5' | O5' | PCA | OBJ | 58.1° | 175.0° |
| C5' | O5' | PCA | OAI | 178.5° | 54.9° |
| C5' | O5' | PCA | OAO | 54.2° | 65.0° |
| O5' | C5' | H20 | H21 | 120.1° | 120.0° |
| O5' | C5' | C4' | H22 | 178.1° | 52.7° |
| PCB | OBJ | PCA | O5' | 170.4° | 160.0° |
| PCB | OBJ | PCA | OAI | 46.9° | 40.0° |
| PCB | OBJ | PCA | OAO | 78.0° | 80.0° |
| OBJ | PCB | OAP | H18 | 122.7° | 59.9° |
| OBJ | PCA | O5' | OAI | 123.4° | 120.1° |
| OBJ | PCA | O5' | OAO | 112.3° | 120.0° |
| PCA | OBJ | PCB | OAP | 28.6° | 80.0° |
| OBJ | PCA | OAI | OAO | 121.6° | 120.0° |
| OBJ | PCA | OAO | H19 | 125.2° | 60.0° |
| O5' | PCA | OAI | OAO | 120.3° | 119.9° |
| O5' | PCA | OAO | H19 | 124.6° | 60.0° |
| PCA | O5' | C5' | H20 | 62.1° | 60.0° |
| PCA | O5' | C5' | H21 | 58.0° | 60.0° |
| OAN | PBZ | OAM | OAH | 124.2° | 120.0° |
| OAN | PBZ | OAM | H24 | 0.0° | 60.0° |
| OAN | PBZ | OAH | H25 | 0.0° | 180.0° |
| OAI | PCA | OAO | H19 | 0.0° | 180.0° |
| OAM | PBZ | OAH | H25 | 120.6° | 60.0° |
| OAH | PBZ | OAM | H24 | 124.2° | 60.0° |
| H2 | NBC | CAT | H41 | 151.7° | 120.1° |
| H2 | NBC | CAT | H42 | 31.7° | 120.0° |
| H3 | CAW | CAU | H5 | 176.9° | 180.0° |
| H3 | CAW | CAU | H6 | 57.4° | 60.0° |
| H4 | CAW | CAU | H5 | 63.0° | 60.0° |
| H4 | CAW | CAU | H6 | 177.6° | 180.0° |
| H5 | CAU | NBD | H7 | 23.8° | 120.0° |
| H6 | CAU | NBD | H7 | 143.2° | 120.0° |
| H8 | CBT | OAL | H9 | 1.7° | 180.0° |
| H10 | CAB | H11 | H12 | 120.0° | 120.0° |
| H13 | CAC | H14 | H15 | 120.0° | 120.0° |
| H20 | C5' | C4' | H22 | 61.9° | 172.7° |
| H21 | C5' | C4' | H22 | 58.1° | 67.3° |
| H22 | C4' | C3' | H23 | 95.6° | 146.4° |
| H23 | C3' | C2' | H26 | 42.4° | 0.1° |
| H26 | C2' | O2' | H27 | 53.9° | 57.3° |
| H26 | C2' | C1' | H28 | 170.7° | 146.4° |
| H32 | CAA | H33 | H34 | 120.0° | 120.0° |
| H35 | CAQ | CAR | H37 | 167.6° | 180.0° |
| H35 | CAQ | CAR | H38 | 47.9° | 60.0° |
| H36 | CAQ | CAR | H37 | 73.2° | 60.0° |
| H36 | CAQ | CAR | H38 | 167.0° | 179.9° |
| H39 | CAV | CAT | H41 | 178.7° | 60.0° |
| H39 | CAV | CAT | H42 | 58.6° | 180.0° |
| H40 | CAV | CAT | H41 | 62.6° | 180.0° |
| H40 | CAV | CAT | H42 | 177.4° | 60.0° |
