8KM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAW | SAM | doub | 1.42Å | 1.52Å | |
| OAV | SAM | doub | 1.42Å | 1.52Å | |
| SAM | CAN | sing | 1.81Å | 1.84Å | |
| SAM | NAL | sing | 1.66Å | 1.69Å | |
| CAN | CAO | sing | 1.51Å | 1.40Å | |
| CAT | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| NAL | CAC | sing | 1.39Å | 1.35Å | |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.53Å | 1.52Å | |
| CAH | CAG | sing | 1.53Å | 1.52Å | |
| CAB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.41Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAG | sing | 1.53Å | 1.52Å | |
| CAR | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAU | sing | 1.51Å | 1.40Å | |
| CAA | CAG | sing | 1.51Å | 1.41Å | |
| CAA | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | CAJ | sing | 1.43Å | 1.41Å | |
| CAJ | NAK | trip | 1.13Å | 1.12Å | |
| CAH | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.08Å | 1.08Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| NAL | H9 | sing | 0.97Å | 1.00Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAT | H12 | sing | 1.08Å | 1.08Å | |
| CAS | H13 | sing | 1.08Å | 1.08Å | |
| CAU | H14 | sing | 1.09Å | 1.10Å | |
| CAU | H15 | sing | 1.09Å | 1.10Å | |
| CAU | H16 | sing | 1.09Å | 1.10Å | |
| CAQ | H17 | sing | 1.08Å | 1.08Å | |
| CAP | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAW | SAM | OAV | 109.6° | 121.1° |
| OAW | SAM | CAN | 108.9° | 110.5° |
| OAW | SAM | NAL | 109.5° | 104.3° |
| OAV | SAM | CAN | 108.6° | 110.6° |
| OAV | SAM | NAL | 109.9° | 104.3° |
| CAN | SAM | NAL | 110.3° | 104.4° |
| SAM | CAN | CAO | 110.3° | 109.4° |
| SAM | CAN | H10 | 109.2° | 109.5° |
| SAM | CAN | H11 | 109.3° | 109.5° |
| SAM | NAL | CAC | 123.8° | 120.0° |
| SAM | NAL | H9 | 105.8° | 120.0° |
| CAN | CAO | CAT | 120.2° | 120.0° |
| CAN | CAO | CAP | 121.0° | 120.0° |
| CAO | CAN | H10 | 109.3° | 109.5° |
| CAO | CAN | H11 | 109.2° | 109.5° |
| CAO | CAT | CAS | 120.2° | 120.0° |
| CAT | CAO | CAP | 118.8° | 120.0° |
| CAO | CAT | H12 | 119.9° | 120.0° |
| CAT | CAS | CAR | 121.0° | 120.0° |
| CAS | CAT | H12 | 119.9° | 120.0° |
| CAT | CAS | H13 | 119.5° | 120.0° |
| CAO | CAP | CAQ | 120.9° | 120.0° |
| CAO | CAP | H18 | 119.6° | 120.0° |
| CAS | CAR | CAQ | 118.9° | 120.0° |
| CAS | CAR | CAU | 119.8° | 120.0° |
| CAR | CAS | H13 | 119.5° | 120.0° |
| NAL | CAC | CAB | 125.1° | 119.9° |
| NAL | CAC | CAD | 116.2° | 119.9° |
| CAC | NAL | H9 | 105.8° | 120.0° |
| CAP | CAQ | CAR | 120.1° | 120.0° |
| CAP | CAQ | H17 | 120.0° | 119.9° |
| CAQ | CAP | H18 | 119.6° | 120.0° |
| CAI | CAH | CAG | 60.1° | 60.0° |
| CAH | CAI | CAG | 60.1° | 60.0° |
| CAI | CAH | H1 | 120.0° | 117.5° |
| CAI | CAH | H2 | 120.0° | 117.5° |
| CAH | CAI | H3 | 120.0° | 117.5° |
| CAH | CAI | H4 | 120.0° | 117.5° |
| CAH | CAG | CAI | 59.8° | 60.0° |
| CAH | CAG | CAA | 117.8° | 117.5° |
| CAG | CAH | H1 | 120.0° | 117.5° |
| CAG | CAH | H2 | 120.0° | 117.5° |
| CAH | CAG | H5 | 115.7° | 117.5° |
| CAC | CAB | CAA | 119.8° | 120.1° |
| CAB | CAC | CAD | 118.7° | 120.2° |
| CAC | CAB | H6 | 120.1° | 119.9° |
| CAB | CAA | CAG | 124.2° | 120.1° |
| CAB | CAA | CAF | 119.8° | 119.9° |
| CAA | CAB | H6 | 120.1° | 120.0° |
| CAC | CAD | CAE | 122.1° | 120.1° |
| CAC | CAD | H8 | 119.0° | 120.0° |
| CAI | CAG | CAA | 116.9° | 117.5° |
| CAG | CAI | H3 | 120.0° | 117.5° |
| CAG | CAI | H4 | 120.0° | 117.5° |
| CAI | CAG | H5 | 115.7° | 117.5° |
| CAQ | CAR | CAU | 121.2° | 120.0° |
| CAR | CAQ | H17 | 120.0° | 120.1° |
| CAR | CAU | H14 | 109.5° | 109.5° |
| CAR | CAU | H15 | 109.4° | 109.4° |
| CAR | CAU | H16 | 109.5° | 109.5° |
| CAG | CAA | CAF | 115.9° | 120.0° |
| CAA | CAG | H5 | 118.0° | 115.6° |
| CAA | CAF | CAE | 121.0° | 119.9° |
| CAA | CAF | CAJ | 119.5° | 120.1° |
| CAD | CAE | CAF | 118.6° | 119.9° |
| CAD | CAE | H7 | 120.7° | 120.1° |
| CAE | CAD | H8 | 118.9° | 119.9° |
| CAE | CAF | CAJ | 119.6° | 120.1° |
| CAF | CAE | H7 | 120.7° | 120.0° |
| CAF | CAJ | NAK | 179.9° | 180.0° |
| H1 | CAH | H2 | 109.4° | 115.5° |
| H3 | CAI | H4 | 109.5° | 115.6° |
| H10 | CAN | H11 | 109.5° | 109.5° |
| H14 | CAU | H15 | 109.5° | 109.5° |
| H14 | CAU | H16 | 109.5° | 109.5° |
| H15 | CAU | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAW | SAM | OAV | CAN | 118.9° | 131.5° |
| OAW | SAM | OAV | NAL | 120.3° | 116.7° |
| OAW | SAM | CAN | NAL | 120.2° | 111.6° |
| OAW | SAM | CAN | CAO | 175.6° | 73.3° |
| OAW | SAM | NAL | CAC | 163.9° | 179.7° |
| OAW | SAM | NAL | H9 | 74.2° | 0.3° |
| OAW | SAM | CAN | H10 | 55.4° | 166.7° |
| OAW | SAM | CAN | H11 | 64.3° | 46.7° |
| OAV | SAM | CAN | NAL | 120.5° | 111.6° |
| OAV | SAM | CAN | CAO | 56.3° | 63.5° |
| OAV | SAM | NAL | CAC | 43.5° | 51.8° |
| OAV | SAM | NAL | H9 | 165.5° | 128.1° |
| OAV | SAM | CAN | H10 | 63.9° | 56.5° |
| OAV | SAM | CAN | H11 | 176.4° | 176.6° |
| SAM | CAN | CAO | H10 | 120.1° | 120.0° |
| SAM | CAN | CAO | H11 | 120.1° | 120.0° |
| SAM | CAN | CAO | CAT | 89.6° | 89.8° |
| SAM | CAN | CAO | CAP | 91.8° | 90.0° |
| CAN | SAM | NAL | CAC | 76.2° | 64.2° |
| CAN | SAM | NAL | H9 | 45.7° | 115.8° |
| SAM | CAN | H10 | H11 | 119.6° | 120.0° |
| NAL | SAM | CAN | CAO | 64.2° | 175.1° |
| SAM | NAL | CAC | H9 | 121.9° | 180.0° |
| SAM | NAL | CAC | CAB | 46.0° | 104.8° |
| SAM | NAL | CAC | CAD | 136.1° | 75.2° |
| NAL | SAM | CAN | H10 | 175.7° | 55.2° |
| NAL | SAM | CAN | H11 | 55.9° | 64.9° |
| CAN | CAO | CAT | CAP | 178.6° | 179.8° |
| CAN | CAO | CAT | CAS | 179.7° | 179.9° |
| CAN | CAO | CAP | CAQ | 179.9° | 179.7° |
| CAO | CAN | H10 | H11 | 119.6° | 120.0° |
| CAN | CAO | CAT | H12 | 0.3° | 0.0° |
| CAN | CAO | CAP | H18 | 0.1° | 0.0° |
| CAO | CAT | CAS | H12 | 180.0° | 179.9° |
| CAO | CAT | CAS | CAR | 0.4° | 0.0° |
| CAT | CAO | CAP | CAQ | 1.5° | 0.5° |
| CAT | CAO | CAN | H10 | 30.5° | 150.3° |
| CAT | CAO | CAN | H11 | 150.3° | 30.2° |
| CAO | CAT | CAS | H13 | 179.6° | 180.0° |
| CAT | CAO | CAP | H18 | 178.5° | 179.8° |
| CAS | CAT | CAO | CAP | 1.0° | 0.3° |
| CAT | CAS | CAR | H13 | 180.0° | 179.9° |
| CAT | CAS | CAR | CAQ | 0.2° | 0.1° |
| CAT | CAS | CAR | CAU | 179.9° | 180.0° |
| CAO | CAP | CAQ | H18 | 180.0° | 179.8° |
| CAO | CAP | CAQ | CAR | 1.3° | 0.4° |
| CAP | CAO | CAN | H10 | 148.1° | 29.9° |
| CAP | CAO | CAN | H11 | 28.3° | 150.0° |
| CAP | CAO | CAT | H12 | 179.0° | 179.8° |
| CAO | CAP | CAQ | H17 | 178.7° | 179.8° |
| CAS | CAR | CAQ | CAP | 0.7° | 0.2° |
| CAS | CAR | CAQ | CAU | 179.6° | 179.9° |
| CAR | CAS | CAT | H12 | 179.6° | 179.9° |
| CAS | CAR | CAU | H14 | 90.2° | 90.0° |
| CAS | CAR | CAU | H15 | 149.8° | 150.0° |
| CAS | CAR | CAU | H16 | 29.8° | 30.0° |
| CAS | CAR | CAQ | H17 | 179.3° | 179.9° |
| NAL | CAC | CAB | CAD | 177.8° | 180.0° |
| NAL | CAC | CAB | CAA | 178.9° | 180.0° |
| NAL | CAC | CAD | CAE | 179.0° | 179.7° |
| NAL | CAC | CAB | H6 | 1.1° | 0.0° |
| NAL | CAC | CAD | H8 | 1.0° | 0.0° |
| CAP | CAQ | CAR | H17 | 180.0° | 179.8° |
| CAP | CAQ | CAR | CAU | 179.7° | 179.7° |
| CAI | CAH | CAG | H1 | 109.5° | 107.5° |
| CAI | CAH | CAG | H2 | 109.5° | 107.5° |
| CAH | CAI | CAG | H3 | 109.5° | 107.5° |
| CAH | CAI | CAG | H4 | 109.5° | 107.5° |
| CAH | CAI | CAG | CAA | 108.1° | 107.5° |
| CAI | CAH | H1 | H2 | 144.7° | 145.6° |
| CAH | CAI | H3 | H4 | 144.7° | 145.8° |
| CAI | CAH | CAG | H5 | 106.1° | 107.5° |
| CAH | CAG | CAA | CAB | 32.2° | 60.2° |
| CAH | CAG | CAA | H5 | 146.7° | 145.7° |
| CAH | CAG | CAA | CAF | 147.5° | 120.0° |
| CAG | CAH | H1 | H2 | 144.7° | 145.7° |
| CAC | CAB | CAA | H6 | 180.0° | 180.0° |
| CAC | CAB | CAA | CAG | 179.3° | 180.0° |
| CAC | CAB | CAA | CAF | 0.3° | 0.2° |
| CAB | CAC | CAD | CAE | 0.9° | 0.3° |
| CAB | CAC | CAD | H8 | 179.0° | 180.0° |
| CAB | CAC | NAL | H9 | 167.9° | 75.2° |
| CAA | CAB | CAC | CAD | 1.0° | 0.0° |
| CAB | CAA | CAG | CAI | 36.0° | 8.4° |
| CAB | CAA | CAG | CAF | 179.7° | 179.8° |
| CAB | CAA | CAF | CAE | 0.4° | 0.2° |
| CAB | CAA | CAF | CAJ | 179.9° | 179.7° |
| CAB | CAA | CAG | H5 | 178.9° | 154.1° |
| CAC | CAD | CAE | H8 | 180.0° | 179.7° |
| CAC | CAD | CAE | CAF | 0.2° | 0.3° |
| CAD | CAC | CAB | H6 | 179.0° | 180.0° |
| CAC | CAD | CAE | H7 | 179.8° | 179.8° |
| CAD | CAC | NAL | H9 | 14.2° | 104.8° |
| CAI | CAG | CAA | H5 | 145.1° | 145.7° |
| CAI | CAG | CAA | CAF | 144.3° | 171.4° |
| CAG | CAI | H3 | H4 | 144.7° | 145.6° |
| CAQ | CAR | CAS | H13 | 179.8° | 180.0° |
| CAQ | CAR | CAU | H14 | 90.2° | 89.9° |
| CAQ | CAR | CAU | H15 | 29.8° | 30.1° |
| CAQ | CAR | CAU | H16 | 149.8° | 150.1° |
| CAR | CAQ | CAP | H18 | 178.7° | 179.8° |
| CAU | CAR | CAS | H13 | 0.1° | 0.1° |
| CAR | CAU | H14 | H15 | 120.0° | 120.0° |
| CAR | CAU | H14 | H16 | 120.0° | 120.0° |
| CAR | CAU | H15 | H16 | 120.0° | 120.0° |
| CAU | CAR | CAQ | H17 | 0.3° | 0.0° |
| CAG | CAA | CAF | CAE | 179.8° | 180.0° |
| CAG | CAA | CAF | CAJ | 0.2° | 0.1° |
| CAA | CAG | CAH | H1 | 144.0° | 145.1° |
| CAA | CAG | CAH | H2 | 3.0° | 0.0° |
| CAA | CAG | CAI | H3 | 1.4° | 0.0° |
| CAA | CAG | CAI | H4 | 142.4° | 145.0° |
| CAG | CAA | CAB | H6 | 0.6° | 0.0° |
| CAA | CAF | CAE | CAD | 0.5° | 0.1° |
| CAA | CAF | CAE | CAJ | 179.7° | 179.9° |
| CAA | CAF | CAJ | NAK | 41.3° | 61.8° |
| CAF | CAA | CAG | H5 | 0.8° | 25.7° |
| CAF | CAA | CAB | H6 | 179.7° | 179.8° |
| CAA | CAF | CAE | H7 | 179.5° | 180.0° |
| CAD | CAE | CAF | H7 | 180.0° | 179.9° |
| CAD | CAE | CAF | CAJ | 179.8° | 180.0° |
| CAE | CAF | CAJ | NAK | 138.3° | 118.2° |
| CAF | CAE | CAD | H8 | 179.8° | 180.0° |
| CAJ | CAF | CAE | H7 | 0.2° | 0.1° |
| H1 | CAH | CAI | H3 | 141.0° | 145.0° |
| H1 | CAH | CAI | H4 | 0.0° | 0.1° |
| H1 | CAH | CAG | H5 | 3.4° | 0.0° |
| H2 | CAH | CAI | H3 | 0.0° | 0.1° |
| H2 | CAH | CAI | H4 | 141.0° | 145.0° |
| H2 | CAH | CAG | H5 | 144.4° | 145.0° |
| H3 | CAI | CAG | H5 | 144.4° | 145.0° |
| H4 | CAI | CAG | H5 | 3.4° | 0.1° |
| H7 | CAE | CAD | H8 | 0.2° | 0.0° |
| H12 | CAT | CAS | H13 | 0.4° | 0.0° |
| H14 | CAU | H15 | H16 | 120.0° | 120.0° |
| H17 | CAQ | CAP | H18 | 1.4° | 0.0° |
