6DC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | SBB | doub | 1.42Å | 1.50Å | |
| OAD | CAX | doub | 1.22Å | 1.24Å | |
| NAC | CAG | trip | 1.14Å | 1.12Å | |
| CAG | CAU | sing | 1.43Å | 1.45Å | |
| NAR | CAV | sing | 1.39Å | 1.36Å | |
| NAR | CAT | sing | 1.40Å | 1.35Å | |
| NAS | CAW | sing | 1.39Å | 1.35Å | |
| NAS | SBB | sing | 1.66Å | 1.64Å | |
| CAU | CAW | doub | 1.41Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| OAF | SBB | doub | 1.42Å | 1.52Å | |
| CAW | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | CAI | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| SBB | CAP | sing | 1.81Å | 1.83Å | |
| CAN | CAT | doub | 1.38Å | 1.41Å | Aromatic |
| CAN | CAZ | sing | 1.39Å | 1.40Å | Aromatic |
| CAT | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAX | CAZ | sing | 1.47Å | 1.40Å | |
| CAX | NBA | sing | 1.35Å | 1.34Å | |
| CAZ | CAY | doub | 1.41Å | 1.40Å | Aromatic |
| CAB | NBA | sing | 1.47Å | 1.48Å | |
| NBA | CAM | sing | 1.36Å | 1.40Å | |
| CAP | CAO | sing | 1.53Å | 1.53Å | |
| CAK | CAL | doub | 1.37Å | 1.40Å | Aromatic |
| CAY | CAL | sing | 1.40Å | 1.38Å | Aromatic |
| CAY | NAQ | sing | 1.36Å | 1.34Å | |
| CAM | NAQ | doub | 1.30Å | 1.40Å | |
| CAO | CAA | sing | 1.53Å | 1.55Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| NAS | H8 | sing | 0.97Å | 1.00Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| NAR | H12 | sing | 0.97Å | 1.00Å | |
| CAN | H13 | sing | 1.08Å | 1.08Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.08Å | 1.08Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å | |
| CAK | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | SBB | NAS | 112.5° | 104.3° |
| OAE | SBB | OAF | 110.1° | 121.0° |
| OAE | SBB | CAP | 104.5° | 110.5° |
| OAD | CAX | CAZ | 122.6° | 121.3° |
| OAD | CAX | NBA | 117.3° | 121.2° |
| NAC | CAG | CAU | 178.3° | 179.9° |
| CAG | CAU | CAW | 119.1° | 120.3° |
| CAG | CAU | CAV | 119.5° | 120.3° |
| CAV | NAR | CAT | 124.0° | 120.0° |
| NAR | CAV | CAU | 115.6° | 120.1° |
| NAR | CAV | CAI | 124.5° | 120.1° |
| CAV | NAR | H12 | 118.0° | 120.0° |
| NAR | CAT | CAN | 119.3° | 119.8° |
| NAR | CAT | CAK | 121.0° | 119.8° |
| CAT | NAR | H12 | 118.0° | 120.0° |
| CAW | NAS | SBB | 122.1° | 120.0° |
| NAS | CAW | CAU | 115.2° | 120.1° |
| NAS | CAW | CAJ | 125.4° | 120.2° |
| CAW | NAS | H8 | 106.2° | 120.0° |
| NAS | SBB | OAF | 112.0° | 104.3° |
| NAS | SBB | CAP | 110.1° | 104.4° |
| SBB | NAS | H8 | 106.2° | 120.0° |
| CAW | CAU | CAV | 121.4° | 119.4° |
| CAU | CAW | CAJ | 119.4° | 119.7° |
| CAU | CAV | CAI | 119.9° | 119.8° |
| OAF | SBB | CAP | 107.2° | 110.6° |
| CAW | CAJ | CAH | 118.6° | 120.3° |
| CAW | CAJ | H9 | 120.7° | 119.8° |
| CAV | CAI | CAH | 117.7° | 120.2° |
| CAV | CAI | H11 | 121.1° | 119.9° |
| CAJ | CAH | CAI | 122.9° | 120.6° |
| CAH | CAJ | H9 | 120.7° | 119.9° |
| CAJ | CAH | H10 | 118.5° | 119.7° |
| CAI | CAH | H10 | 118.5° | 119.7° |
| CAH | CAI | H11 | 121.2° | 119.9° |
| SBB | CAP | CAO | 110.4° | 109.5° |
| SBB | CAP | H6 | 109.2° | 109.5° |
| SBB | CAP | H7 | 109.2° | 109.5° |
| CAT | CAN | CAZ | 120.8° | 119.3° |
| CAN | CAT | CAK | 119.6° | 120.4° |
| CAT | CAN | H13 | 119.6° | 120.3° |
| CAN | CAZ | CAX | 122.1° | 122.0° |
| CAN | CAZ | CAY | 118.6° | 120.0° |
| CAZ | CAN | H13 | 119.6° | 120.3° |
| CAT | CAK | CAL | 119.4° | 120.9° |
| CAT | CAK | H19 | 120.3° | 119.5° |
| CAZ | CAX | NBA | 120.1° | 117.5° |
| CAX | CAZ | CAY | 119.3° | 118.0° |
| CAX | NBA | CAB | 119.6° | 119.7° |
| CAX | NBA | CAM | 120.6° | 120.6° |
| CAZ | CAY | CAL | 120.4° | 119.4° |
| CAZ | CAY | NAQ | 120.3° | 119.0° |
| CAB | NBA | CAM | 119.8° | 119.7° |
| NBA | CAB | H14 | 109.5° | 109.5° |
| NBA | CAB | H15 | 109.5° | 109.4° |
| NBA | CAB | H16 | 109.5° | 109.4° |
| NBA | CAM | NAQ | 119.2° | 123.4° |
| NBA | CAM | H17 | 120.4° | 118.4° |
| CAP | CAO | CAA | 107.2° | 109.5° |
| CAP | CAO | H4 | 110.0° | 109.4° |
| CAP | CAO | H5 | 110.0° | 109.5° |
| CAO | CAP | H6 | 109.3° | 109.4° |
| CAO | CAP | H7 | 109.2° | 109.4° |
| CAK | CAL | CAY | 121.1° | 119.9° |
| CAK | CAL | H18 | 119.4° | 120.0° |
| CAL | CAK | H19 | 120.3° | 119.6° |
| CAL | CAY | NAQ | 119.3° | 121.6° |
| CAY | CAL | H18 | 119.5° | 120.1° |
| CAY | NAQ | CAM | 120.4° | 121.6° |
| NAQ | CAM | H17 | 120.4° | 118.2° |
| CAO | CAA | H1 | 109.5° | 109.5° |
| CAO | CAA | H2 | 109.5° | 109.5° |
| CAO | CAA | H3 | 109.5° | 109.5° |
| CAA | CAO | H4 | 110.1° | 109.5° |
| CAA | CAO | H5 | 110.1° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAO | H5 | 109.4° | 109.5° |
| H6 | CAP | H7 | 109.4° | 109.5° |
| H14 | CAB | H15 | 109.5° | 109.5° |
| H14 | CAB | H16 | 109.4° | 109.5° |
| H15 | CAB | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | SBB | NAS | CAW | 52.6° | 56.2° |
| OAE | SBB | NAS | OAF | 124.7° | 127.8° |
| OAE | SBB | NAS | CAP | 116.1° | 116.1° |
| OAE | SBB | OAF | CAP | 113.2° | 131.5° |
| OAE | SBB | CAP | CAO | 171.9° | 68.4° |
| OAE | SBB | CAP | H6 | 67.9° | 171.7° |
| OAE | SBB | CAP | H7 | 51.8° | 51.6° |
| OAE | SBB | NAS | H8 | 69.1° | 123.8° |
| OAD | CAX | CAZ | CAN | 0.2° | 0.0° |
| OAD | CAX | CAZ | NBA | 179.9° | 180.0° |
| OAD | CAX | CAZ | CAY | 180.0° | 180.0° |
| OAD | CAX | NBA | CAB | 0.0° | 0.0° |
| OAD | CAX | NBA | CAM | 179.8° | 179.9° |
| NAC | CAG | CAU | CAW | 175.8° | 33.7° |
| NAC | CAG | CAU | CAV | 3.0° | 146.4° |
| CAG | CAU | CAV | NAR | 3.2° | 0.0° |
| CAG | CAU | CAW | NAS | 1.0° | 0.1° |
| CAG | CAU | CAW | CAV | 178.8° | 179.9° |
| CAG | CAU | CAW | CAJ | 179.9° | 179.7° |
| CAG | CAU | CAV | CAI | 179.4° | 179.9° |
| CAV | NAR | CAT | H12 | 180.0° | 179.9° |
| NAR | CAV | CAU | CAW | 178.0° | 180.0° |
| NAR | CAV | CAU | CAI | 177.4° | 180.0° |
| NAR | CAV | CAI | CAH | 177.8° | 179.7° |
| CAV | NAR | CAT | CAN | 160.9° | 42.4° |
| CAV | NAR | CAT | CAK | 19.8° | 137.7° |
| NAR | CAV | CAI | H11 | 2.2° | 0.0° |
| CAT | NAR | CAV | CAU | 132.1° | 172.3° |
| CAT | NAR | CAV | CAI | 50.6° | 7.7° |
| NAR | CAT | CAN | CAK | 179.4° | 179.8° |
| NAR | CAT | CAN | CAZ | 179.1° | 180.0° |
| NAR | CAT | CAK | CAL | 178.8° | 179.7° |
| NAR | CAT | CAN | H13 | 0.9° | 0.0° |
| NAR | CAT | CAK | H19 | 1.2° | 0.1° |
| CAW | NAS | SBB | H8 | 121.7° | 180.0° |
| NAS | CAW | CAU | CAJ | 179.0° | 179.8° |
| NAS | CAW | CAU | CAV | 179.8° | 180.0° |
| CAW | NAS | SBB | OAF | 177.3° | 175.9° |
| NAS | CAW | CAJ | CAH | 179.3° | 180.0° |
| CAW | NAS | SBB | CAP | 63.5° | 59.9° |
| NAS | CAW | CAJ | H9 | 0.6° | 0.2° |
| SBB | NAS | CAW | CAU | 173.0° | 144.3° |
| NAS | SBB | OAF | CAP | 120.8° | 111.7° |
| SBB | NAS | CAW | CAJ | 8.0° | 35.5° |
| NAS | SBB | CAP | CAO | 67.0° | 180.0° |
| NAS | SBB | CAP | H6 | 53.2° | 60.0° |
| NAS | SBB | CAP | H7 | 172.8° | 60.1° |
| CAW | CAU | CAV | CAI | 0.6° | 0.0° |
| CAU | CAW | CAJ | CAH | 1.7° | 0.2° |
| CAU | CAW | NAS | H8 | 65.3° | 35.7° |
| CAU | CAW | CAJ | H9 | 178.3° | 179.7° |
| CAV | CAU | CAW | CAJ | 1.1° | 0.2° |
| CAU | CAV | CAI | CAH | 0.6° | 0.3° |
| CAU | CAV | CAI | H11 | 179.4° | 179.9° |
| CAU | CAV | NAR | H12 | 47.9° | 7.6° |
| OAF | SBB | CAP | CAO | 55.0° | 68.4° |
| OAF | SBB | CAP | H6 | 175.2° | 51.6° |
| OAF | SBB | CAP | H7 | 65.1° | 171.7° |
| OAF | SBB | NAS | H8 | 55.6° | 4.1° |
| CAW | CAJ | CAH | H9 | 180.0° | 179.9° |
| CAW | CAJ | CAH | CAI | 1.9° | 0.1° |
| CAJ | CAW | NAS | H8 | 113.7° | 144.5° |
| CAW | CAJ | CAH | H10 | 178.1° | 180.0° |
| CAV | CAI | CAH | CAJ | 1.3° | 0.3° |
| CAV | CAI | CAH | H11 | 180.0° | 179.7° |
| CAV | CAI | CAH | H10 | 178.7° | 179.7° |
| CAI | CAV | NAR | H12 | 129.4° | 172.4° |
| CAJ | CAH | CAI | H10 | 180.0° | 180.0° |
| CAJ | CAH | CAI | H11 | 178.7° | 180.0° |
| CAI | CAH | CAJ | H9 | 178.2° | 179.9° |
| SBB | CAP | CAO | H6 | 120.2° | 120.0° |
| SBB | CAP | CAO | H7 | 120.2° | 120.0° |
| SBB | CAP | CAO | CAA | 174.0° | 180.0° |
| SBB | CAP | CAO | H4 | 66.3° | 60.0° |
| SBB | CAP | CAO | H5 | 54.4° | 60.0° |
| SBB | CAP | H6 | H7 | 119.5° | 120.1° |
| CAP | SBB | NAS | H8 | 174.7° | 120.1° |
| CAT | CAN | CAZ | H13 | 180.0° | 180.0° |
| CAT | CAN | CAZ | CAX | 179.9° | 179.9° |
| CAT | CAN | CAZ | CAY | 0.1° | 0.1° |
| CAN | CAT | CAK | CAL | 0.6° | 0.5° |
| CAN | CAT | NAR | H12 | 19.2° | 137.5° |
| CAN | CAT | CAK | H19 | 179.4° | 179.7° |
| CAZ | CAN | CAT | CAK | 0.2° | 0.2° |
| CAN | CAZ | CAX | CAY | 179.8° | 180.0° |
| CAN | CAZ | CAX | NBA | 179.7° | 180.0° |
| CAN | CAZ | CAY | CAL | 0.2° | 0.0° |
| CAN | CAZ | CAY | NAQ | 179.3° | 179.9° |
| CAT | CAK | CAL | H19 | 180.0° | 179.8° |
| CAT | CAK | CAL | CAY | 0.6° | 0.6° |
| CAK | CAT | NAR | H12 | 160.2° | 42.3° |
| CAK | CAT | CAN | H13 | 179.7° | 179.8° |
| CAT | CAK | CAL | H18 | 179.5° | 179.8° |
| CAZ | CAX | NBA | CAB | 179.9° | 180.0° |
| CAZ | CAX | NBA | CAM | 0.3° | 0.1° |
| CAX | CAZ | CAY | CAL | 180.0° | 180.0° |
| CAX | CAZ | CAY | NAQ | 0.5° | 0.1° |
| CAX | CAZ | CAN | H13 | 0.1° | 0.0° |
| NBA | CAX | CAZ | CAY | 0.1° | 0.0° |
| CAX | NBA | CAB | CAM | 179.8° | 179.9° |
| CAX | NBA | CAM | NAQ | 0.9° | 0.1° |
| CAX | NBA | CAB | H14 | 180.0° | 89.9° |
| CAX | NBA | CAB | H15 | 60.0° | 150.0° |
| CAX | NBA | CAB | H16 | 60.0° | 30.1° |
| CAX | NBA | CAM | H17 | 179.1° | 180.0° |
| CAZ | CAY | CAL | CAK | 0.2° | 0.3° |
| CAZ | CAY | CAL | NAQ | 179.5° | 180.0° |
| CAZ | CAY | NAQ | CAM | 1.1° | 0.0° |
| CAY | CAZ | CAN | H13 | 179.9° | 180.0° |
| CAZ | CAY | CAL | H18 | 179.8° | 180.0° |
| CAB | NBA | CAM | NAQ | 179.3° | 180.0° |
| NBA | CAB | H14 | H15 | 120.0° | 120.0° |
| NBA | CAB | H14 | H16 | 120.0° | 120.0° |
| NBA | CAB | H15 | H16 | 120.0° | 119.9° |
| CAB | NBA | CAM | H17 | 0.7° | 0.1° |
| NBA | CAM | NAQ | CAY | 1.3° | 0.0° |
| NBA | CAM | NAQ | H17 | 180.0° | 179.9° |
| CAM | NBA | CAB | H14 | 0.2° | 90.0° |
| CAM | NBA | CAB | H15 | 120.2° | 30.1° |
| CAM | NBA | CAB | H16 | 119.8° | 150.0° |
| CAP | CAO | CAA | H4 | 119.6° | 120.0° |
| CAP | CAO | CAA | H5 | 119.7° | 120.0° |
| CAP | CAO | CAA | H1 | 180.0° | 60.0° |
| CAP | CAO | CAA | H2 | 60.0° | 180.0° |
| CAP | CAO | CAA | H3 | 60.0° | 60.0° |
| CAP | CAO | H4 | H5 | 121.0° | 120.0° |
| CAO | CAP | H6 | H7 | 119.6° | 119.9° |
| CAK | CAL | CAY | H18 | 180.0° | 179.6° |
| CAK | CAL | CAY | NAQ | 179.6° | 179.6° |
| CAL | CAY | NAQ | CAM | 179.5° | 180.0° |
| CAY | CAL | CAK | H19 | 179.4° | 179.6° |
| CAY | NAQ | CAM | H17 | 178.7° | 180.0° |
| NAQ | CAY | CAL | H18 | 0.4° | 0.0° |
| CAO | CAA | H1 | H2 | 120.0° | 120.0° |
| CAO | CAA | H1 | H3 | 120.0° | 120.0° |
| CAO | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CAO | H4 | H5 | 121.1° | 120.0° |
| CAA | CAO | CAP | H6 | 53.9° | 60.0° |
| CAA | CAO | CAP | H7 | 65.8° | 60.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAO | H4 | 60.4° | 180.0° |
| H1 | CAA | CAO | H5 | 60.3° | 60.0° |
| H2 | CAA | CAO | H4 | 179.6° | 60.0° |
| H2 | CAA | CAO | H5 | 59.7° | 60.0° |
| H3 | CAA | CAO | H4 | 59.7° | 60.0° |
| H3 | CAA | CAO | H5 | 179.7° | 180.0° |
| H4 | CAO | CAP | H6 | 173.5° | 180.0° |
| H4 | CAO | CAP | H7 | 53.8° | 60.0° |
| H5 | CAO | CAP | H6 | 65.8° | 60.0° |
| H5 | CAO | CAP | H7 | 174.5° | 180.0° |
| H9 | CAJ | CAH | H10 | 1.8° | 0.1° |
| H10 | CAH | CAI | H11 | 1.3° | 0.0° |
| H14 | CAB | H15 | H16 | 120.0° | 120.0° |
| H18 | CAL | CAK | H19 | 0.6° | 0.0° |
