S6Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAV | sing | 1.53Å | 1.53Å | |
| CAC | CAV | sing | 1.53Å | 1.53Å | |
| OAM | CAU | sing | 1.34Å | 1.33Å | |
| OAM | CAS | sing | 1.35Å | 1.30Å | |
| OAH | CAU | doub | 1.22Å | 1.23Å | |
| CAV | CAS | sing | 1.51Å | 1.54Å | |
| CAV | CAE | sing | 1.53Å | 1.52Å | |
| CAU | NAT | sing | 1.35Å | 1.34Å | |
| CAS | NAL | doub | 1.29Å | 1.35Å | |
| CAB | CAN | sing | 1.53Å | 1.53Å | |
| NAT | NAL | sing | 1.40Å | 1.31Å | |
| NAT | CAR | sing | 1.40Å | 1.35Å | |
| CAR | CAK | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAA | sing | 1.53Å | 1.53Å | |
| CAN | OAI | sing | 1.43Å | 1.43Å | |
| CL2 | CAP | sing | 1.74Å | 1.63Å | |
| CAP | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | OAI | sing | 1.36Å | 1.37Å | |
| CAQ | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAO | sing | 1.38Å | 1.38Å | Aromatic |
| CAO | CL1 | sing | 1.74Å | 1.74Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAD | H10 | sing | 1.09Å | 1.10Å | |
| CAD | H11 | sing | 1.09Å | 1.10Å | |
| CAD | H12 | sing | 1.09Å | 1.10Å | |
| CAE | H13 | sing | 1.09Å | 1.10Å | |
| CAE | H14 | sing | 1.09Å | 1.10Å | |
| CAE | H15 | sing | 1.09Å | 1.10Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å | |
| CAN | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAV | CAC | 107.7° | 109.5° |
| CAD | CAV | CAS | 108.6° | 109.5° |
| CAD | CAV | CAE | 109.5° | 109.5° |
| CAV | CAD | H10 | 109.5° | 109.4° |
| CAV | CAD | H11 | 109.5° | 109.5° |
| CAV | CAD | H12 | 109.4° | 109.4° |
| CAC | CAV | CAS | 110.7° | 109.5° |
| CAC | CAV | CAE | 109.7° | 109.4° |
| CAV | CAC | H7 | 109.5° | 109.4° |
| CAV | CAC | H8 | 109.5° | 109.5° |
| CAV | CAC | H9 | 109.5° | 109.5° |
| CAU | OAM | CAS | 105.1° | 108.9° |
| OAM | CAU | OAH | 123.2° | 126.4° |
| OAM | CAU | NAT | 110.9° | 107.2° |
| OAM | CAS | CAV | 121.9° | 125.4° |
| OAM | CAS | NAL | 110.4° | 109.3° |
| OAH | CAU | NAT | 125.9° | 126.4° |
| CAS | CAV | CAE | 110.5° | 109.4° |
| CAV | CAS | NAL | 127.7° | 125.4° |
| CAV | CAE | H13 | 109.5° | 109.5° |
| CAV | CAE | H14 | 109.5° | 109.5° |
| CAV | CAE | H15 | 109.5° | 109.5° |
| CAU | NAT | NAL | 106.1° | 106.7° |
| CAU | NAT | CAR | 124.7° | 126.6° |
| CAS | NAL | NAT | 107.5° | 107.9° |
| CAB | CAN | CAA | 108.2° | 109.5° |
| CAB | CAN | OAI | 109.5° | 109.5° |
| CAN | CAB | H4 | 109.5° | 109.4° |
| CAN | CAB | H5 | 109.5° | 109.5° |
| CAN | CAB | H6 | 109.5° | 109.5° |
| CAB | CAN | H18 | 109.9° | 109.5° |
| NAL | NAT | CAR | 129.2° | 126.7° |
| NAT | CAR | CAK | 119.6° | 120.1° |
| NAT | CAR | CAP | 122.6° | 120.0° |
| CAK | CAR | CAP | 117.7° | 119.9° |
| CAR | CAK | CAQ | 120.4° | 119.9° |
| CAR | CAK | H17 | 119.8° | 120.0° |
| CAR | CAP | CL2 | 121.4° | 120.0° |
| CAR | CAP | CAJ | 121.9° | 120.0° |
| CAK | CAQ | OAI | 124.4° | 120.0° |
| CAK | CAQ | CAO | 120.6° | 120.0° |
| CAQ | CAK | H17 | 119.8° | 120.1° |
| CAA | CAN | OAI | 107.7° | 109.5° |
| CAN | CAA | H1 | 109.5° | 109.4° |
| CAN | CAA | H2 | 109.5° | 109.4° |
| CAN | CAA | H3 | 109.5° | 109.5° |
| CAA | CAN | H18 | 110.0° | 109.5° |
| CAN | OAI | CAQ | 117.9° | 117.0° |
| OAI | CAN | H18 | 111.4° | 109.4° |
| CL2 | CAP | CAJ | 116.7° | 120.0° |
| CAP | CAJ | CAO | 120.1° | 120.1° |
| CAP | CAJ | H16 | 120.0° | 119.9° |
| OAI | CAQ | CAO | 114.9° | 120.0° |
| CAQ | CAO | CAJ | 119.2° | 120.1° |
| CAQ | CAO | CL1 | 122.3° | 120.0° |
| CAJ | CAO | CL1 | 118.6° | 120.0° |
| CAO | CAJ | H16 | 119.9° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.4° |
| H7 | CAC | H9 | 109.4° | 109.5° |
| H8 | CAC | H9 | 109.4° | 109.5° |
| H10 | CAD | H11 | 109.5° | 109.5° |
| H10 | CAD | H12 | 109.5° | 109.5° |
| H11 | CAD | H12 | 109.5° | 109.5° |
| H13 | CAE | H14 | 109.4° | 109.4° |
| H13 | CAE | H15 | 109.5° | 109.5° |
| H14 | CAE | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAV | CAC | CAS | 118.7° | 120.1° |
| CAD | CAV | CAC | CAE | 119.1° | 120.0° |
| CAD | CAV | CAS | OAM | 68.4° | 59.7° |
| CAD | CAV | CAS | CAE | 120.1° | 120.0° |
| CAD | CAV | CAS | NAL | 110.5° | 120.0° |
| CAD | CAV | CAC | H7 | 180.0° | 60.1° |
| CAD | CAV | CAC | H8 | 60.0° | 180.0° |
| CAD | CAV | CAC | H9 | 60.0° | 60.0° |
| CAV | CAD | H10 | H11 | 120.0° | 120.0° |
| CAV | CAD | H10 | H12 | 120.0° | 119.9° |
| CAV | CAD | H11 | H12 | 120.0° | 120.0° |
| CAD | CAV | CAE | H13 | 180.0° | 180.0° |
| CAD | CAV | CAE | H14 | 60.0° | 60.0° |
| CAD | CAV | CAE | H15 | 60.0° | 60.0° |
| CAC | CAV | CAS | OAM | 49.7° | 179.7° |
| CAC | CAV | CAS | CAE | 121.8° | 119.9° |
| CAC | CAV | CAS | NAL | 131.4° | 0.1° |
| CAV | CAC | H7 | H8 | 120.0° | 119.9° |
| CAV | CAC | H7 | H9 | 120.0° | 120.0° |
| CAV | CAC | H8 | H9 | 120.0° | 120.0° |
| CAC | CAV | CAD | H10 | 180.0° | 59.9° |
| CAC | CAV | CAD | H11 | 60.0° | 180.0° |
| CAC | CAV | CAD | H12 | 60.0° | 60.0° |
| CAC | CAV | CAE | H13 | 62.0° | 60.0° |
| CAC | CAV | CAE | H14 | 58.0° | 180.0° |
| CAC | CAV | CAE | H15 | 178.0° | 60.0° |
| OAM | CAU | OAH | NAT | 179.8° | 179.7° |
| CAU | OAM | CAS | CAV | 179.7° | 179.9° |
| CAU | OAM | CAS | NAL | 0.6° | 0.4° |
| OAM | CAU | NAT | NAL | 0.6° | 0.2° |
| OAM | CAU | NAT | CAR | 178.0° | 180.0° |
| CAS | OAM | CAU | OAH | 179.8° | 179.8° |
| OAM | CAS | CAV | NAL | 178.9° | 179.7° |
| OAM | CAS | CAV | CAE | 171.5° | 60.4° |
| CAS | OAM | CAU | NAT | 0.0° | 0.4° |
| OAM | CAS | NAL | NAT | 1.0° | 0.2° |
| OAH | CAU | NAT | NAL | 179.5° | 180.0° |
| OAH | CAU | NAT | CAR | 2.2° | 0.3° |
| CAV | CAS | NAL | NAT | 180.0° | 179.9° |
| CAS | CAV | CAC | H7 | 61.4° | 60.0° |
| CAS | CAV | CAC | H8 | 58.7° | 59.9° |
| CAS | CAV | CAC | H9 | 178.6° | 180.0° |
| CAS | CAV | CAD | H10 | 60.0° | 180.0° |
| CAS | CAV | CAD | H11 | 180.0° | 60.0° |
| CAS | CAV | CAD | H12 | 60.0° | 60.1° |
| CAS | CAV | CAE | H13 | 60.4° | 59.9° |
| CAS | CAV | CAE | H14 | 179.6° | 60.0° |
| CAS | CAV | CAE | H15 | 59.6° | 180.0° |
| CAE | CAV | CAS | NAL | 9.6° | 120.0° |
| CAE | CAV | CAC | H7 | 60.9° | 180.0° |
| CAE | CAV | CAC | H8 | 179.0° | 60.0° |
| CAE | CAV | CAC | H9 | 59.1° | 60.0° |
| CAE | CAV | CAD | H10 | 60.8° | 60.0° |
| CAE | CAV | CAD | H11 | 59.2° | 60.0° |
| CAE | CAV | CAD | H12 | 179.2° | 180.0° |
| CAV | CAE | H13 | H14 | 120.0° | 120.0° |
| CAV | CAE | H13 | H15 | 120.0° | 120.1° |
| CAV | CAE | H14 | H15 | 120.0° | 120.0° |
| CAU | NAT | NAL | CAS | 1.0° | 0.0° |
| CAU | NAT | NAL | CAR | 177.2° | 179.7° |
| CAU | NAT | CAR | CAK | 94.0° | 55.1° |
| CAU | NAT | CAR | CAP | 84.7° | 125.8° |
| CAS | NAL | NAT | CAR | 178.2° | 179.7° |
| CAB | CAN | CAA | OAI | 118.3° | 120.0° |
| CAB | CAN | CAA | H18 | 120.1° | 120.0° |
| CAB | CAN | OAI | H18 | 121.9° | 120.0° |
| CAB | CAN | OAI | CAQ | 78.5° | 154.9° |
| CAB | CAN | CAA | H1 | 180.0° | 180.0° |
| CAB | CAN | CAA | H2 | 60.0° | 60.0° |
| CAB | CAN | CAA | H3 | 60.0° | 60.0° |
| CAN | CAB | H4 | H5 | 120.0° | 120.0° |
| CAN | CAB | H4 | H6 | 120.0° | 120.0° |
| CAN | CAB | H5 | H6 | 120.0° | 120.0° |
| NAL | NAT | CAR | CAK | 82.8° | 124.6° |
| NAL | NAT | CAR | CAP | 98.6° | 54.6° |
| NAT | CAR | CAK | CAP | 178.7° | 179.2° |
| NAT | CAR | CAK | CAQ | 179.1° | 180.0° |
| NAT | CAR | CAP | CL2 | 1.5° | 0.3° |
| NAT | CAR | CAP | CAJ | 179.2° | 179.7° |
| NAT | CAR | CAK | H17 | 0.9° | 0.0° |
| CAR | CAK | CAQ | H17 | 180.0° | 180.0° |
| CAK | CAR | CAP | CL2 | 179.9° | 179.5° |
| CAK | CAR | CAP | CAJ | 0.6° | 0.5° |
| CAR | CAK | CAQ | OAI | 179.5° | 180.0° |
| CAR | CAK | CAQ | CAO | 0.1° | 0.6° |
| CAP | CAR | CAK | CAQ | 0.4° | 0.8° |
| CAR | CAP | CL2 | CAJ | 179.3° | 180.0° |
| CAR | CAP | CAJ | CAO | 0.4° | 0.0° |
| CAR | CAP | CAJ | H16 | 179.6° | 179.7° |
| CAP | CAR | CAK | H17 | 179.6° | 179.2° |
| CAK | CAQ | OAI | CAN | 18.2° | 5.6° |
| CAK | CAQ | OAI | CAO | 179.6° | 179.4° |
| CAK | CAQ | CAO | CAJ | 0.1° | 0.0° |
| CAK | CAQ | CAO | CL1 | 179.7° | 179.9° |
| CAA | CAN | OAI | H18 | 120.7° | 120.0° |
| CAA | CAN | OAI | CAQ | 164.0° | 85.0° |
| CAN | CAA | H1 | H2 | 120.0° | 120.0° |
| CAN | CAA | H1 | H3 | 120.0° | 120.0° |
| CAN | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAN | CAB | H4 | 180.0° | 60.0° |
| CAA | CAN | CAB | H5 | 60.0° | 180.0° |
| CAA | CAN | CAB | H6 | 60.0° | 60.0° |
| CAN | OAI | CAQ | CAO | 162.2° | 175.0° |
| OAI | CAN | CAA | H1 | 61.7° | 60.0° |
| OAI | CAN | CAA | H2 | 178.3° | 60.0° |
| OAI | CAN | CAA | H3 | 58.3° | 180.0° |
| OAI | CAN | CAB | H4 | 62.8° | 60.0° |
| OAI | CAN | CAB | H5 | 57.2° | 60.0° |
| OAI | CAN | CAB | H6 | 177.1° | 180.0° |
| CL2 | CAP | CAJ | CAO | 179.7° | 180.0° |
| CL2 | CAP | CAJ | H16 | 0.3° | 0.3° |
| CAP | CAJ | CAO | CAQ | 0.0° | 0.3° |
| CAP | CAJ | CAO | H16 | 180.0° | 179.7° |
| CAP | CAJ | CAO | CL1 | 179.6° | 179.8° |
| OAI | CAQ | CAO | CAJ | 179.7° | 179.5° |
| OAI | CAQ | CAO | CL1 | 0.7° | 0.5° |
| OAI | CAQ | CAK | H17 | 0.5° | 0.0° |
| CAQ | OAI | CAN | H18 | 43.3° | 35.0° |
| CAQ | CAO | CAJ | CL1 | 179.6° | 180.0° |
| CAQ | CAO | CAJ | H16 | 179.9° | 180.0° |
| CAO | CAQ | CAK | H17 | 179.9° | 179.5° |
| CL1 | CAO | CAJ | H16 | 0.4° | 0.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAN | H18 | 59.9° | 60.0° |
| H2 | CAA | CAN | H18 | 60.1° | 179.9° |
| H3 | CAA | CAN | H18 | 179.9° | 60.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H4 | CAB | CAN | H18 | 59.9° | 180.0° |
| H5 | CAB | CAN | H18 | 179.9° | 60.0° |
| H6 | CAB | CAN | H18 | 60.1° | 60.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H10 | CAD | H11 | H12 | 120.0° | 120.0° |
| H13 | CAE | H14 | H15 | 120.0° | 120.0° |
