2XN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | SBG | sing | 1.81Å | 1.78Å | |
| OAH | SBG | doub | 1.42Å | 1.53Å | |
| SBG | OAG | doub | 1.42Å | 1.53Å | |
| SBG | NAR | sing | 1.66Å | 1.63Å | |
| NAR | CAM | sing | 1.46Å | 1.47Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAN | OAT | sing | 1.43Å | 1.43Å | |
| OAT | CBC | sing | 1.36Å | 1.36Å | |
| CAC | CBF | sing | 1.53Å | 1.53Å | |
| CAA | OAS | sing | 1.43Å | 1.44Å | |
| CBC | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CBC | CBB | sing | 1.39Å | 1.42Å | Aromatic |
| CAL | CAY | sing | 1.40Å | 1.39Å | Aromatic |
| OAS | CBB | sing | 1.36Å | 1.39Å | |
| CBB | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
| NAQ | CBE | sing | 1.31Å | 1.35Å | Aromatic |
| NAQ | CBD | doub | 1.30Å | 1.34Å | Aromatic |
| CBF | SAU | sing | 1.81Å | 1.78Å | |
| CBF | CBE | sing | 1.51Å | 1.52Å | |
| SAU | C2 | sing | 1.76Å | 1.72Å | |
| CAY | CBD | sing | 1.48Å | 1.33Å | |
| CAY | CAI | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| CBE | CAZ | doub | 1.34Å | 1.33Å | Aromatic |
| C4 | NAF | sing | 1.39Å | 1.33Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| CBD | SAV | sing | 1.76Å | 1.63Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | NAE | sing | 1.39Å | 1.33Å | |
| CAJ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | SAV | sing | 1.76Å | 1.58Å | Aromatic |
| CAZ | CAB | sing | 1.51Å | 1.52Å | |
| CAD | H1 | sing | 1.09Å | 1.10Å | |
| CAD | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| NAR | H4 | sing | 0.97Å | 1.00Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CBF | H18 | sing | 1.09Å | 1.10Å | |
| CAC | H19 | sing | 1.09Å | 1.10Å | |
| CAC | H20 | sing | 1.09Å | 1.10Å | |
| CAC | H21 | sing | 1.09Å | 1.10Å | |
| NAE | H22 | sing | 0.97Å | 1.00Å | |
| NAE | H23 | sing | 0.97Å | 1.00Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| NAF | H25 | sing | 0.97Å | 1.00Å | |
| NAF | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | SBG | OAH | 109.5° | 110.6° |
| CAD | SBG | OAG | 109.4° | 110.5° |
| CAD | SBG | NAR | 109.8° | 104.4° |
| SBG | CAD | H1 | 109.5° | 109.5° |
| SBG | CAD | H2 | 109.4° | 109.5° |
| SBG | CAD | H3 | 109.5° | 109.5° |
| OAH | SBG | OAG | 109.6° | 121.1° |
| OAH | SBG | NAR | 108.9° | 104.3° |
| OAG | SBG | NAR | 109.7° | 104.3° |
| SBG | NAR | CAM | 110.4° | 120.0° |
| SBG | NAR | H4 | 109.2° | 120.0° |
| NAR | CAM | CAN | 110.1° | 109.4° |
| CAM | NAR | H4 | 109.2° | 120.1° |
| NAR | CAM | H5 | 109.3° | 109.5° |
| NAR | CAM | H6 | 109.3° | 109.5° |
| CAM | CAN | OAT | 109.7° | 109.5° |
| CAN | CAM | H5 | 109.3° | 109.4° |
| CAN | CAM | H6 | 109.3° | 109.4° |
| CAM | CAN | H7 | 109.4° | 109.5° |
| CAM | CAN | H8 | 109.4° | 109.5° |
| CAN | OAT | CBC | 112.4° | 117.0° |
| OAT | CAN | H7 | 109.4° | 109.5° |
| OAT | CAN | H8 | 109.4° | 109.4° |
| OAT | CBC | CAL | 119.6° | 120.1° |
| OAT | CBC | CBB | 121.4° | 120.0° |
| CAC | CBF | SAU | 111.4° | 109.5° |
| CAC | CBF | CBE | 108.3° | 109.5° |
| CAC | CBF | H18 | 111.3° | 109.5° |
| CBF | CAC | H19 | 109.5° | 109.5° |
| CBF | CAC | H20 | 109.5° | 109.5° |
| CBF | CAC | H21 | 109.4° | 109.4° |
| CAA | OAS | CBB | 128.9° | 117.0° |
| OAS | CAA | H10 | 109.5° | 109.5° |
| OAS | CAA | H11 | 109.5° | 109.5° |
| OAS | CAA | H12 | 109.5° | 109.5° |
| CAL | CBC | CBB | 119.0° | 120.0° |
| CBC | CAL | CAY | 120.6° | 119.9° |
| CBC | CAL | H9 | 119.7° | 120.1° |
| CBC | CBB | OAS | 123.8° | 119.9° |
| CBC | CBB | CAJ | 119.4° | 120.1° |
| CAL | CAY | CBD | 123.7° | 120.1° |
| CAL | CAY | CAI | 120.0° | 119.8° |
| CAY | CAL | H9 | 119.7° | 120.0° |
| OAS | CBB | CAJ | 116.7° | 120.0° |
| CBB | CAJ | CAI | 120.9° | 120.2° |
| CBB | CAJ | H13 | 119.6° | 119.9° |
| CBE | NAQ | CBD | 110.1° | 117.0° |
| NAQ | CBE | CBF | 126.2° | 122.0° |
| NAQ | CBE | CAZ | 115.0° | 115.8° |
| NAQ | CBD | CAY | 128.8° | 125.4° |
| NAQ | CBD | SAV | 110.2° | 109.1° |
| SAU | CBF | CBE | 106.1° | 109.5° |
| CBF | SAU | C2 | 102.2° | 100.0° |
| SAU | CBF | H18 | 108.2° | 109.5° |
| CBF | CBE | CAZ | 118.8° | 122.1° |
| CBE | CBF | H18 | 111.4° | 109.4° |
| SAU | C2 | N3 | 121.1° | 119.2° |
| SAU | C2 | N1 | 117.8° | 119.1° |
| CBD | CAY | CAI | 116.3° | 120.1° |
| CAY | CBD | SAV | 121.0° | 125.5° |
| CAY | CAI | CAJ | 120.1° | 120.0° |
| CAY | CAI | H14 | 119.9° | 120.0° |
| N3 | C2 | N1 | 121.1° | 121.7° |
| C2 | N3 | C4 | 120.2° | 120.8° |
| C2 | N1 | C6 | 120.9° | 120.8° |
| N3 | C4 | NAF | 120.1° | 120.5° |
| N3 | C4 | C5 | 119.8° | 119.1° |
| N1 | C6 | C5 | 119.5° | 119.1° |
| N1 | C6 | NAE | 120.0° | 120.4° |
| CBE | CAZ | SAV | 109.7° | 108.3° |
| CBE | CAZ | CAB | 124.1° | 125.9° |
| NAF | C4 | C5 | 120.0° | 120.4° |
| C4 | NAF | H25 | 109.5° | 120.0° |
| C4 | NAF | H26 | 109.5° | 120.1° |
| C4 | C5 | C6 | 118.4° | 118.4° |
| C4 | C5 | H24 | 120.8° | 120.8° |
| CBD | SAV | CAZ | 95.0° | 89.9° |
| C5 | C6 | NAE | 120.5° | 120.4° |
| C6 | C5 | H24 | 120.8° | 120.8° |
| C6 | NAE | H22 | 109.5° | 120.0° |
| C6 | NAE | H23 | 109.5° | 120.1° |
| CAI | CAJ | H13 | 119.5° | 119.9° |
| CAJ | CAI | H14 | 120.0° | 120.0° |
| SAV | CAZ | CAB | 126.2° | 125.9° |
| CAZ | CAB | H15 | 109.5° | 109.5° |
| CAZ | CAB | H16 | 109.5° | 109.5° |
| CAZ | CAB | H17 | 109.5° | 109.4° |
| H1 | CAD | H2 | 109.5° | 109.5° |
| H1 | CAD | H3 | 109.4° | 109.5° |
| H2 | CAD | H3 | 109.5° | 109.4° |
| H5 | CAM | H6 | 109.4° | 109.5° |
| H7 | CAN | H8 | 109.5° | 109.5° |
| H10 | CAA | H11 | 109.5° | 109.5° |
| H10 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.4° |
| H15 | CAB | H16 | 109.5° | 109.5° |
| H15 | CAB | H17 | 109.5° | 109.5° |
| H16 | CAB | H17 | 109.4° | 109.5° |
| H19 | CAC | H20 | 109.5° | 109.5° |
| H19 | CAC | H21 | 109.5° | 109.4° |
| H20 | CAC | H21 | 109.5° | 109.5° |
| H22 | NAE | H23 | 109.5° | 119.9° |
| H25 | NAF | H26 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | SBG | OAH | OAG | 120.0° | 131.5° |
| CAD | SBG | OAH | NAR | 120.0° | 111.7° |
| CAD | SBG | OAG | NAR | 120.4° | 111.7° |
| CAD | SBG | NAR | CAM | 180.0° | 65.0° |
| SBG | CAD | H1 | H2 | 120.0° | 120.0° |
| SBG | CAD | H1 | H3 | 120.0° | 120.0° |
| SBG | CAD | H2 | H3 | 120.0° | 119.9° |
| CAD | SBG | NAR | H4 | 59.9° | 115.1° |
| OAH | SBG | OAG | NAR | 119.5° | 116.7° |
| OAH | SBG | NAR | CAM | 60.2° | 178.9° |
| OAH | SBG | CAD | H1 | 180.0° | 171.6° |
| OAH | SBG | CAD | H2 | 60.0° | 51.6° |
| OAH | SBG | CAD | H3 | 60.0° | 68.4° |
| OAH | SBG | NAR | H4 | 179.7° | 1.0° |
| OAG | SBG | NAR | CAM | 59.8° | 51.1° |
| OAG | SBG | CAD | H1 | 59.9° | 51.6° |
| OAG | SBG | CAD | H2 | 60.1° | 171.7° |
| OAG | SBG | CAD | H3 | 179.9° | 68.4° |
| OAG | SBG | NAR | H4 | 60.3° | 128.9° |
| SBG | NAR | CAM | H4 | 120.1° | 179.9° |
| SBG | NAR | CAM | CAN | 178.2° | 165.0° |
| NAR | SBG | CAD | H1 | 60.5° | 60.0° |
| NAR | SBG | CAD | H2 | 179.5° | 60.1° |
| NAR | SBG | CAD | H3 | 59.5° | 180.0° |
| SBG | NAR | CAM | H5 | 58.1° | 75.1° |
| SBG | NAR | CAM | H6 | 61.6° | 45.0° |
| NAR | CAM | CAN | H5 | 120.1° | 120.0° |
| NAR | CAM | CAN | H6 | 120.1° | 120.0° |
| NAR | CAM | CAN | OAT | 59.6° | 65.0° |
| NAR | CAM | H5 | H6 | 119.7° | 120.1° |
| NAR | CAM | CAN | H7 | 60.5° | 175.0° |
| NAR | CAM | CAN | H8 | 179.6° | 55.0° |
| CAM | CAN | OAT | H7 | 120.1° | 120.0° |
| CAM | CAN | OAT | H8 | 120.0° | 120.0° |
| CAM | CAN | OAT | CBC | 164.3° | 180.0° |
| CAN | CAM | NAR | H4 | 61.6° | 15.0° |
| CAN | CAM | H5 | H6 | 119.7° | 120.0° |
| CAM | CAN | H7 | H8 | 119.9° | 120.0° |
| CAN | OAT | CBC | CAL | 0.5° | 0.0° |
| CAN | OAT | CBC | CBB | 178.7° | 179.7° |
| OAT | CAN | CAM | H5 | 179.7° | 55.0° |
| OAT | CAN | CAM | H6 | 60.5° | 175.0° |
| OAT | CAN | H7 | H8 | 119.9° | 119.9° |
| OAT | CBC | CAL | CBB | 178.2° | 179.7° |
| OAT | CBC | CAL | CAY | 179.5° | 180.0° |
| OAT | CBC | CBB | OAS | 2.3° | 0.1° |
| OAT | CBC | CBB | CAJ | 179.7° | 180.0° |
| CBC | OAT | CAN | H7 | 44.2° | 60.0° |
| CBC | OAT | CAN | H8 | 75.7° | 60.0° |
| OAT | CBC | CAL | H9 | 0.5° | 0.0° |
| CAC | CBF | CBE | NAQ | 57.1° | 75.0° |
| CAC | CBF | SAU | CBE | 117.7° | 120.0° |
| CAC | CBF | SAU | H18 | 122.6° | 120.1° |
| CAC | CBF | CBE | H18 | 122.7° | 120.0° |
| CAC | CBF | SAU | C2 | 86.4° | 65.0° |
| CAC | CBF | CBE | CAZ | 124.8° | 105.1° |
| CBF | CAC | H19 | H20 | 120.0° | 120.0° |
| CBF | CAC | H19 | H21 | 120.0° | 119.9° |
| CBF | CAC | H20 | H21 | 120.0° | 120.0° |
| CAA | OAS | CBB | CBC | 3.7° | 180.0° |
| CAA | OAS | CBB | CAJ | 178.9° | 0.0° |
| OAS | CAA | H10 | H11 | 120.0° | 120.0° |
| OAS | CAA | H10 | H12 | 120.0° | 120.0° |
| OAS | CAA | H11 | H12 | 120.0° | 120.0° |
| CBC | CAL | CAY | H9 | 180.0° | 180.0° |
| CAL | CBC | CBB | OAS | 179.5° | 179.8° |
| CAL | CBC | CBB | CAJ | 2.1° | 0.3° |
| CBC | CAL | CAY | CBD | 179.2° | 179.9° |
| CBC | CAL | CAY | CAI | 2.0° | 0.0° |
| CBB | CBC | CAL | CAY | 2.3° | 0.2° |
| CBC | CBB | OAS | CAJ | 177.4° | 179.9° |
| CBC | CBB | CAJ | CAI | 1.6° | 0.0° |
| CBB | CBC | CAL | H9 | 177.7° | 179.7° |
| CBC | CBB | CAJ | H13 | 178.4° | 180.0° |
| CAL | CAY | CBD | NAQ | 3.8° | 179.7° |
| CAL | CAY | CBD | CAI | 177.4° | 179.9° |
| CAL | CAY | CBD | SAV | 179.1° | 0.1° |
| CAL | CAY | CAI | CAJ | 1.4° | 0.2° |
| CAL | CAY | CAI | H14 | 178.6° | 180.0° |
| OAS | CBB | CAJ | CAI | 179.1° | 180.0° |
| CBB | OAS | CAA | H10 | 180.0° | 179.9° |
| CBB | OAS | CAA | H11 | 60.0° | 60.0° |
| CBB | OAS | CAA | H12 | 60.0° | 59.9° |
| OAS | CBB | CAJ | H13 | 0.9° | 0.1° |
| CBB | CAJ | CAI | CAY | 1.2° | 0.2° |
| CBB | CAJ | CAI | H13 | 180.0° | 180.0° |
| CBB | CAJ | CAI | H14 | 178.8° | 180.0° |
| NAQ | CBE | CBF | SAU | 62.6° | 45.1° |
| NAQ | CBE | CBF | CAZ | 178.1° | 179.9° |
| CBE | NAQ | CBD | CAY | 177.7° | 180.0° |
| CBE | NAQ | CBD | SAV | 0.4° | 0.3° |
| NAQ | CBE | CAZ | SAV | 0.7° | 0.1° |
| NAQ | CBE | CAZ | CAB | 179.8° | 180.0° |
| NAQ | CBE | CBF | H18 | 179.8° | 165.0° |
| CBD | NAQ | CBE | CBF | 178.3° | 180.0° |
| NAQ | CBD | CAY | SAV | 177.1° | 179.6° |
| NAQ | CBD | CAY | CAI | 173.6° | 0.4° |
| CBD | NAQ | CBE | CAZ | 0.2° | 0.1° |
| NAQ | CBD | SAV | CAZ | 0.7° | 0.3° |
| SAU | CBF | CBE | H18 | 117.5° | 120.0° |
| CBF | SAU | C2 | N3 | 1.8° | 180.0° |
| CBF | SAU | C2 | N1 | 179.9° | 0.3° |
| SAU | CBF | CBE | CAZ | 115.5° | 134.9° |
| SAU | CBF | CAC | H19 | 180.0° | 180.0° |
| SAU | CBF | CAC | H20 | 60.0° | 60.0° |
| SAU | CBF | CAC | H21 | 60.0° | 60.1° |
| CBE | CBF | SAU | C2 | 155.9° | 175.0° |
| CBF | CBE | CAZ | SAV | 179.0° | 179.8° |
| CBF | CBE | CAZ | CAB | 1.5° | 0.0° |
| CBE | CBF | CAC | H19 | 63.7° | 60.0° |
| CBE | CBF | CAC | H20 | 56.3° | 60.1° |
| CBE | CBF | CAC | H21 | 176.3° | 179.9° |
| SAU | C2 | N3 | N1 | 178.1° | 179.7° |
| SAU | C2 | N3 | C4 | 179.3° | 179.9° |
| SAU | C2 | N1 | C6 | 179.5° | 180.0° |
| C2 | SAU | CBF | H18 | 36.2° | 55.1° |
| CBD | CAY | CAI | CAJ | 178.9° | 179.7° |
| CAY | CBD | SAV | CAZ | 178.3° | 180.0° |
| CBD | CAY | CAL | H9 | 0.8° | 0.0° |
| CBD | CAY | CAI | H14 | 1.1° | 0.1° |
| CAI | CAY | CBD | SAV | 3.5° | 180.0° |
| CAY | CAI | CAJ | H14 | 180.0° | 179.8° |
| CAI | CAY | CAL | H9 | 178.1° | 180.0° |
| CAY | CAI | CAJ | H13 | 178.8° | 179.8° |
| N3 | C2 | N1 | C6 | 1.4° | 0.3° |
| C2 | N3 | C4 | NAF | 179.4° | 180.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.0° |
| N1 | C2 | N3 | C4 | 1.3° | 0.3° |
| C2 | N1 | C6 | C5 | 0.8° | 0.0° |
| C2 | N1 | C6 | NAE | 179.3° | 180.0° |
| N3 | C4 | NAF | C5 | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 0.0° | 0.3° |
| N3 | C4 | C5 | H24 | 179.9° | 179.9° |
| N3 | C4 | NAF | H25 | 0.0° | 0.0° |
| N3 | C4 | NAF | H26 | 120.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.3° |
| N1 | C6 | C5 | NAE | 179.9° | 179.9° |
| N1 | C6 | NAE | H22 | 0.0° | 0.0° |
| N1 | C6 | NAE | H23 | 120.0° | 180.0° |
| N1 | C6 | C5 | H24 | 179.9° | 180.0° |
| CBE | CAZ | SAV | CBD | 0.8° | 0.2° |
| CBE | CAZ | SAV | CAB | 179.5° | 179.8° |
| CBE | CAZ | CAB | H15 | 179.5° | 179.7° |
| CBE | CAZ | CAB | H16 | 59.5° | 60.3° |
| CBE | CAZ | CAB | H17 | 60.5° | 59.7° |
| CAZ | CBE | CBF | H18 | 2.1° | 14.9° |
| NAF | C4 | C5 | C6 | 180.0° | 179.7° |
| NAF | C4 | C5 | H24 | 0.1° | 0.0° |
| C4 | NAF | H25 | H26 | 120.0° | 180.0° |
| C4 | C5 | C6 | H24 | 180.0° | 179.7° |
| C4 | C5 | C6 | NAE | 180.0° | 179.7° |
| C5 | C4 | NAF | H25 | 180.0° | 180.0° |
| C5 | C4 | NAF | H26 | 60.0° | 0.0° |
| CBD | SAV | CAZ | CAB | 179.7° | 180.0° |
| C5 | C6 | NAE | H22 | 179.9° | 179.9° |
| C5 | C6 | NAE | H23 | 59.9° | 0.0° |
| C6 | NAE | H22 | H23 | 120.0° | 180.0° |
| NAE | C6 | C5 | H24 | 0.0° | 0.0° |
| SAV | CAZ | CAB | H15 | 0.0° | 0.1° |
| SAV | CAZ | CAB | H16 | 120.0° | 119.9° |
| SAV | CAZ | CAB | H17 | 120.0° | 120.1° |
| CAZ | CAB | H15 | H16 | 120.0° | 120.0° |
| CAZ | CAB | H15 | H17 | 120.0° | 120.0° |
| CAZ | CAB | H16 | H17 | 120.0° | 120.0° |
| H1 | CAD | H2 | H3 | 120.0° | 120.0° |
| H4 | NAR | CAM | H5 | 178.3° | 105.0° |
| H4 | NAR | CAM | H6 | 58.5° | 134.9° |
| H5 | CAM | CAN | H7 | 59.7° | 65.0° |
| H5 | CAM | CAN | H8 | 60.3° | 174.9° |
| H6 | CAM | CAN | H7 | 179.4° | 55.0° |
| H6 | CAM | CAN | H8 | 59.5° | 65.0° |
| H10 | CAA | H11 | H12 | 120.0° | 120.0° |
| H13 | CAJ | CAI | H14 | 1.2° | 0.0° |
| H15 | CAB | H16 | H17 | 120.0° | 120.0° |
| H18 | CBF | CAC | H19 | 59.2° | 59.9° |
| H18 | CBF | CAC | H20 | 179.2° | 180.0° |
| H18 | CBF | CAC | H21 | 60.9° | 60.0° |
| H19 | CAC | H20 | H21 | 120.0° | 120.0° |
