6A1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAP | sing | 1.43Å | 1.39Å | |
| CAQ | OAP | sing | 1.36Å | 1.35Å | |
| CAQ | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAV | doub | 1.39Å | 1.42Å | Aromatic |
| CAV | CAU | sing | 1.41Å | 1.39Å | Aromatic |
| CAU | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAU | CAS | sing | 1.48Å | 1.48Å | Aromatic |
| CAS | OAD | sing | 1.36Å | 1.35Å | |
| CAW | CAS | doub | 1.35Å | 1.48Å | Aromatic |
| CAW | CAR | sing | 1.51Å | 1.48Å | |
| CAX | CAW | sing | 1.42Å | 1.37Å | Aromatic |
| NAY | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| NAY | CAX | sing | 1.36Å | 1.36Å | Aromatic |
| CAJ | NAN | doub | 1.32Å | 1.43Å | Aromatic |
| CAJ | NAY | sing | 1.36Å | 1.41Å | Aromatic |
| NAN | CAT | sing | 1.32Å | 1.44Å | Aromatic |
| CAT | CAX | doub | 1.39Å | 1.42Å | Aromatic |
| CAT | CAH | sing | 1.51Å | 1.43Å | |
| CAH | CAG | sing | 1.54Å | 1.45Å | |
| CAG | CAR | sing | 1.52Å | 1.42Å | |
| CAR | NAO | sing | 1.47Å | 1.47Å | |
| NAO | CAL | sing | 1.47Å | 1.45Å | |
| CAM | NAZ | sing | 1.47Å | 1.43Å | |
| CAM | CAL | sing | 1.53Å | 1.52Å | |
| NAZ | OAE | sing | 1.46Å | 1.31Å | |
| NAZ | CAC | sing | 1.47Å | 1.48Å | |
| CAB | NAZ | sing | 1.47Å | 1.46Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| OAD | H7 | sing | 0.97Å | 0.95Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.09Å | 1.10Å | |
| NAO | H14 | sing | 1.01Å | 1.00Å | |
| CAL | H16 | sing | 1.09Å | 1.10Å | |
| CAL | H17 | sing | 1.09Å | 1.10Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAM | H19 | sing | 1.09Å | 1.10Å | |
| CAB | H20 | sing | 1.09Å | 1.10Å | |
| CAB | H21 | sing | 1.09Å | 1.10Å | |
| CAB | H22 | sing | 1.09Å | 1.10Å | |
| CAC | H23 | sing | 1.09Å | 1.10Å | |
| CAC | H24 | sing | 1.09Å | 1.10Å | |
| CAC | H25 | sing | 1.09Å | 1.10Å | |
| OAE | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAP | CAQ | 115.2° | 117.0° |
| OAP | CAA | H1 | 109.5° | 109.4° |
| OAP | CAA | H2 | 109.5° | 109.4° |
| OAP | CAA | H3 | 109.4° | 109.5° |
| OAP | CAQ | CAK | 118.0° | 119.8° |
| OAP | CAQ | CAF | 119.0° | 119.8° |
| CAK | CAQ | CAF | 123.1° | 120.3° |
| CAQ | CAK | CAU | 117.2° | 119.8° |
| CAQ | CAK | H4 | 121.4° | 120.1° |
| CAQ | CAF | CAI | 120.1° | 120.4° |
| CAQ | CAF | H5 | 119.9° | 119.8° |
| CAF | CAI | CAV | 116.9° | 120.1° |
| CAI | CAF | H5 | 120.0° | 119.7° |
| CAF | CAI | H6 | 121.6° | 120.0° |
| CAI | CAV | CAU | 123.3° | 119.8° |
| CAI | CAV | NAY | 117.8° | 120.6° |
| CAV | CAI | H6 | 121.5° | 120.0° |
| CAV | CAU | CAK | 119.4° | 119.5° |
| CAV | CAU | CAS | 122.4° | 120.6° |
| CAU | CAV | NAY | 118.9° | 119.6° |
| CAK | CAU | CAS | 118.1° | 119.8° |
| CAU | CAK | H4 | 121.4° | 120.1° |
| CAU | CAS | OAD | 119.9° | 121.0° |
| CAU | CAS | CAW | 115.1° | 118.1° |
| OAD | CAS | CAW | 125.0° | 120.9° |
| CAS | OAD | H7 | 109.5° | 114.0° |
| CAS | CAW | CAR | 125.3° | 125.5° |
| CAS | CAW | CAX | 117.9° | 118.6° |
| CAR | CAW | CAX | 116.7° | 115.9° |
| CAW | CAR | CAG | 117.2° | 110.3° |
| CAW | CAR | NAO | 120.5° | 109.4° |
| CAW | CAR | H13 | 99.1° | 109.4° |
| CAW | CAX | NAY | 125.8° | 125.1° |
| CAW | CAX | CAT | 126.6° | 126.8° |
| CAV | NAY | CAX | 119.9° | 118.0° |
| CAV | NAY | CAJ | 129.0° | 136.4° |
| CAX | NAY | CAJ | 111.1° | 105.6° |
| NAY | CAX | CAT | 107.6° | 108.1° |
| NAN | CAJ | NAY | 106.6° | 109.7° |
| CAJ | NAN | CAT | 106.6° | 110.0° |
| NAN | CAJ | H8 | 126.7° | 125.2° |
| NAY | CAJ | H8 | 126.7° | 125.1° |
| NAN | CAT | CAX | 108.1° | 106.6° |
| NAN | CAT | CAH | 133.8° | 134.4° |
| CAX | CAT | CAH | 118.1° | 119.0° |
| CAT | CAH | CAG | 116.3° | 108.2° |
| CAT | CAH | H9 | 107.2° | 109.7° |
| CAT | CAH | H10 | 107.2° | 109.7° |
| CAH | CAG | CAR | 123.1° | 113.4° |
| CAG | CAH | H9 | 107.3° | 109.7° |
| CAG | CAH | H10 | 107.3° | 109.7° |
| CAH | CAG | H11 | 105.1° | 108.9° |
| CAH | CAG | H12 | 105.1° | 108.8° |
| CAG | CAR | NAO | 120.7° | 109.7° |
| CAR | CAG | H11 | 105.2° | 107.8° |
| CAR | CAG | H12 | 105.2° | 109.2° |
| CAG | CAR | H13 | 98.3° | 108.8° |
| CAR | NAO | CAL | 119.5° | 111.0° |
| NAO | CAR | H13 | 85.4° | 109.3° |
| CAR | NAO | H14 | 106.3° | 111.0° |
| NAO | CAL | CAM | 117.2° | 109.5° |
| CAL | NAO | H14 | 106.2° | 111.0° |
| NAO | CAL | H16 | 107.0° | 109.4° |
| NAO | CAL | H17 | 107.0° | 109.5° |
| NAZ | CAM | CAL | 118.0° | 109.5° |
| CAM | NAZ | OAE | 110.5° | 109.5° |
| CAM | NAZ | CAC | 106.9° | 109.5° |
| CAM | NAZ | CAB | 107.1° | 109.4° |
| NAZ | CAM | H18 | 106.7° | 109.5° |
| NAZ | CAM | H19 | 106.8° | 109.5° |
| CAM | CAL | H16 | 107.0° | 109.4° |
| CAM | CAL | H17 | 107.0° | 109.5° |
| CAL | CAM | H18 | 106.7° | 109.4° |
| CAL | CAM | H19 | 106.7° | 109.5° |
| OAE | NAZ | CAC | 106.8° | 109.5° |
| OAE | NAZ | CAB | 106.4° | 109.5° |
| NAZ | OAE | H26 | 109.5° | 114.0° |
| CAC | NAZ | CAB | 119.1° | 109.5° |
| NAZ | CAC | H23 | 109.5° | 109.5° |
| NAZ | CAC | H24 | 109.5° | 109.5° |
| NAZ | CAC | H25 | 109.4° | 109.5° |
| NAZ | CAB | H20 | 109.5° | 109.5° |
| NAZ | CAB | H21 | 109.5° | 109.4° |
| NAZ | CAB | H22 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H9 | CAH | H10 | 111.6° | 109.8° |
| H11 | CAG | H12 | 113.4° | 108.8° |
| H16 | CAL | H17 | 111.9° | 109.4° |
| H18 | CAM | H19 | 112.1° | 109.5° |
| H20 | CAB | H21 | 109.4° | 109.4° |
| H20 | CAB | H22 | 109.5° | 109.5° |
| H21 | CAB | H22 | 109.5° | 109.5° |
| H23 | CAC | H24 | 109.5° | 109.4° |
| H23 | CAC | H25 | 109.5° | 109.5° |
| H24 | CAC | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAP | CAQ | CAK | 172.8° | 180.0° |
| CAA | OAP | CAQ | CAF | 6.5° | 0.3° |
| OAP | CAA | H1 | H2 | 120.0° | 119.9° |
| OAP | CAA | H1 | H3 | 120.0° | 120.0° |
| OAP | CAA | H2 | H3 | 120.0° | 120.0° |
| OAP | CAQ | CAK | CAF | 179.3° | 179.7° |
| OAP | CAQ | CAF | CAI | 180.0° | 180.0° |
| OAP | CAQ | CAK | CAU | 179.9° | 180.0° |
| CAQ | OAP | CAA | H1 | 180.0° | 60.1° |
| CAQ | OAP | CAA | H2 | 60.0° | 180.0° |
| CAQ | OAP | CAA | H3 | 60.0° | 60.0° |
| OAP | CAQ | CAK | H4 | 0.1° | 0.0° |
| OAP | CAQ | CAF | H5 | 0.1° | 0.0° |
| CAK | CAQ | CAF | CAI | 0.7° | 0.2° |
| CAQ | CAK | CAU | CAV | 0.1° | 0.0° |
| CAQ | CAK | CAU | H4 | 180.0° | 180.0° |
| CAQ | CAK | CAU | CAS | 179.8° | 179.6° |
| CAK | CAQ | CAF | H5 | 179.3° | 179.7° |
| CAQ | CAF | CAI | H5 | 180.0° | 179.9° |
| CAQ | CAF | CAI | CAV | 0.0° | 0.0° |
| CAF | CAQ | CAK | CAU | 0.7° | 0.2° |
| CAF | CAQ | CAK | H4 | 179.3° | 179.7° |
| CAQ | CAF | CAI | H6 | 180.0° | 180.0° |
| CAF | CAI | CAV | H6 | 180.0° | 180.0° |
| CAF | CAI | CAV | CAU | 0.8° | 0.2° |
| CAF | CAI | CAV | NAY | 180.0° | 180.0° |
| CAI | CAV | CAU | NAY | 179.2° | 179.8° |
| CAI | CAV | CAU | CAK | 0.8° | 0.2° |
| CAI | CAV | CAU | CAS | 179.1° | 179.9° |
| CAI | CAV | NAY | CAX | 179.0° | 179.8° |
| CAI | CAV | NAY | CAJ | 0.2° | 0.1° |
| CAV | CAI | CAF | H5 | 180.0° | 179.9° |
| CAV | CAU | CAK | CAS | 179.9° | 179.6° |
| CAV | CAU | CAS | OAD | 179.4° | 180.0° |
| CAV | CAU | CAS | CAW | 0.0° | 0.1° |
| CAU | CAV | NAY | CAX | 0.2° | 0.4° |
| CAU | CAV | NAY | CAJ | 179.4° | 179.9° |
| CAV | CAU | CAK | H4 | 179.9° | 180.0° |
| CAU | CAV | CAI | H6 | 179.2° | 179.7° |
| CAK | CAU | CAS | OAD | 0.7° | 0.3° |
| CAK | CAU | CAS | CAW | 179.9° | 179.7° |
| CAK | CAU | CAV | NAY | 180.0° | 180.0° |
| CAU | CAS | OAD | CAW | 179.4° | 180.0° |
| CAU | CAS | CAW | CAR | 179.9° | 179.7° |
| CAU | CAS | CAW | CAX | 0.1° | 0.2° |
| CAS | CAU | CAV | NAY | 0.1° | 0.4° |
| CAS | CAU | CAK | H4 | 0.2° | 0.4° |
| CAU | CAS | OAD | H7 | 180.0° | 0.0° |
| OAD | CAS | CAW | CAR | 0.5° | 0.3° |
| OAD | CAS | CAW | CAX | 179.4° | 179.8° |
| CAS | CAW | CAR | CAX | 179.8° | 179.9° |
| CAS | CAW | CAX | NAY | 0.1° | 0.1° |
| CAS | CAW | CAX | CAT | 179.4° | 179.3° |
| CAS | CAW | CAR | CAG | 172.2° | 151.5° |
| CAS | CAW | CAR | NAO | 6.5° | 30.8° |
| CAW | CAS | OAD | H7 | 0.6° | 180.0° |
| CAS | CAW | CAR | H13 | 83.5° | 88.9° |
| CAR | CAW | CAX | NAY | 179.8° | 179.8° |
| CAR | CAW | CAX | CAT | 0.8° | 0.7° |
| CAW | CAR | CAG | CAH | 16.0° | 57.1° |
| CAW | CAR | CAG | NAO | 165.7° | 120.6° |
| CAW | CAR | CAG | H13 | 104.7° | 120.0° |
| CAW | CAR | NAO | H13 | 97.8° | 119.8° |
| CAW | CAR | NAO | CAL | 175.4° | 65.3° |
| CAW | CAR | CAG | H11 | 104.0° | 63.4° |
| CAW | CAR | CAG | H12 | 136.0° | 178.6° |
| CAW | CAR | NAO | H14 | 55.4° | 170.7° |
| CAW | CAX | NAY | CAV | 0.2° | 0.2° |
| CAW | CAX | NAY | CAT | 179.6° | 179.5° |
| CAW | CAX | NAY | CAJ | 179.6° | 180.0° |
| CAW | CAX | CAT | NAN | 179.5° | 179.7° |
| CAW | CAX | CAT | CAH | 0.7° | 0.4° |
| CAX | CAW | CAR | CAG | 8.0° | 28.6° |
| CAX | CAW | CAR | NAO | 173.7° | 149.3° |
| CAX | CAW | CAR | H13 | 96.3° | 91.0° |
| CAV | NAY | CAX | CAJ | 179.3° | 179.8° |
| CAV | NAY | CAJ | NAN | 179.2° | 179.7° |
| CAV | NAY | CAX | CAT | 179.3° | 179.7° |
| NAY | CAV | CAI | H6 | 0.0° | 0.0° |
| CAV | NAY | CAJ | H8 | 0.7° | 0.1° |
| CAX | NAY | CAJ | NAN | 0.0° | 0.6° |
| NAY | CAX | CAT | NAN | 0.0° | 0.2° |
| NAY | CAX | CAT | CAH | 179.7° | 179.1° |
| CAX | NAY | CAJ | H8 | 180.0° | 179.9° |
| NAN | CAJ | NAY | H8 | 180.0° | 179.6° |
| CAJ | NAN | CAT | CAX | 0.0° | 0.1° |
| CAJ | NAN | CAT | CAH | 179.6° | 179.4° |
| NAY | CAJ | NAN | CAT | 0.0° | 0.5° |
| CAJ | NAY | CAX | CAT | 0.0° | 0.5° |
| NAN | CAT | CAX | CAH | 179.7° | 179.4° |
| NAN | CAT | CAH | CAG | 172.6° | 153.4° |
| CAT | NAN | CAJ | H8 | 180.0° | 180.0° |
| NAN | CAT | CAH | H9 | 52.6° | 33.7° |
| NAN | CAT | CAH | H10 | 67.3° | 86.9° |
| CAX | CAT | CAH | CAG | 7.7° | 25.8° |
| CAX | CAT | CAH | H9 | 127.7° | 145.4° |
| CAX | CAT | CAH | H10 | 112.3° | 93.9° |
| CAT | CAH | CAG | H9 | 120.0° | 119.6° |
| CAT | CAH | CAG | H10 | 120.0° | 119.7° |
| CAT | CAH | CAG | CAR | 15.9° | 54.9° |
| CAT | CAH | H9 | H10 | 117.2° | 120.6° |
| CAT | CAH | CAG | H11 | 104.2° | 65.1° |
| CAT | CAH | CAG | H12 | 135.9° | 176.5° |
| CAH | CAG | CAR | H11 | 120.0° | 120.5° |
| CAH | CAG | CAR | H12 | 120.0° | 121.5° |
| CAH | CAG | CAR | NAO | 178.3° | 177.7° |
| CAG | CAH | H9 | H10 | 117.2° | 120.6° |
| CAH | CAG | H11 | H12 | 114.3° | 118.4° |
| CAH | CAG | CAR | H13 | 88.7° | 62.8° |
| CAG | CAR | NAO | H13 | 97.0° | 119.2° |
| CAG | CAR | NAO | CAL | 19.4° | 55.7° |
| CAR | CAG | CAH | H9 | 135.9° | 174.5° |
| CAR | CAG | CAH | H10 | 104.1° | 64.8° |
| CAR | CAG | H11 | H12 | 114.4° | 118.2° |
| CAG | CAR | NAO | H14 | 139.4° | 68.2° |
| CAR | NAO | CAL | H14 | 120.0° | 124.0° |
| CAR | NAO | CAL | CAM | 86.7° | 180.0° |
| NAO | CAR | CAG | H11 | 61.7° | 57.2° |
| NAO | CAR | CAG | H12 | 58.3° | 60.8° |
| CAR | NAO | CAL | H16 | 153.2° | 60.0° |
| CAR | NAO | CAL | H17 | 33.2° | 60.0° |
| NAO | CAL | CAM | NAZ | 117.9° | 180.0° |
| NAO | CAL | CAM | H16 | 120.0° | 120.0° |
| NAO | CAL | CAM | H17 | 120.0° | 120.1° |
| CAL | NAO | CAR | H13 | 77.6° | 174.9° |
| NAO | CAL | H16 | H17 | 116.8° | 120.0° |
| NAO | CAL | CAM | H18 | 2.1° | 60.0° |
| NAO | CAL | CAM | H19 | 122.1° | 60.0° |
| NAZ | CAM | CAL | H18 | 120.0° | 120.0° |
| NAZ | CAM | CAL | H19 | 120.0° | 120.0° |
| CAM | NAZ | OAE | CAC | 115.9° | 120.0° |
| CAM | NAZ | OAE | CAB | 115.9° | 119.9° |
| CAM | NAZ | CAC | CAB | 121.4° | 120.0° |
| NAZ | CAM | CAL | H16 | 2.1° | 60.0° |
| NAZ | CAM | CAL | H17 | 122.1° | 60.0° |
| NAZ | CAM | H18 | H19 | 116.5° | 120.0° |
| CAM | NAZ | CAB | H20 | 180.0° | 60.1° |
| CAM | NAZ | CAB | H21 | 60.0° | 180.0° |
| CAM | NAZ | CAB | H22 | 60.0° | 60.0° |
| CAM | NAZ | CAC | H23 | 180.0° | 60.0° |
| CAM | NAZ | CAC | H24 | 60.0° | 180.0° |
| CAM | NAZ | CAC | H25 | 60.0° | 60.0° |
| CAM | NAZ | OAE | H26 | 180.0° | 180.0° |
| CAL | CAM | NAZ | OAE | 88.3° | 65.0° |
| CAL | CAM | NAZ | CAC | 27.5° | 55.0° |
| CAL | CAM | NAZ | CAB | 156.2° | 175.0° |
| CAM | CAL | NAO | H14 | 33.3° | 56.1° |
| CAM | CAL | H16 | H17 | 116.8° | 120.0° |
| CAL | CAM | H18 | H19 | 116.5° | 120.0° |
| OAE | NAZ | CAC | CAB | 120.4° | 120.0° |
| OAE | NAZ | CAM | H18 | 151.7° | 55.0° |
| OAE | NAZ | CAM | H19 | 31.7° | 175.0° |
| OAE | NAZ | CAB | H20 | 61.8° | 180.0° |
| OAE | NAZ | CAB | H21 | 58.2° | 60.0° |
| OAE | NAZ | CAB | H22 | 178.2° | 60.0° |
| OAE | NAZ | CAC | H23 | 61.7° | 60.0° |
| OAE | NAZ | CAC | H24 | 178.2° | 60.0° |
| OAE | NAZ | CAC | H25 | 58.3° | 180.0° |
| CAC | NAZ | CAM | H18 | 92.4° | 175.0° |
| CAC | NAZ | CAM | H19 | 147.5° | 65.0° |
| CAC | NAZ | CAB | H20 | 58.8° | 59.9° |
| CAC | NAZ | CAB | H21 | 178.7° | 60.0° |
| CAC | NAZ | CAB | H22 | 61.3° | 180.0° |
| NAZ | CAC | H23 | H24 | 120.0° | 120.0° |
| NAZ | CAC | H23 | H25 | 120.0° | 120.1° |
| NAZ | CAC | H24 | H25 | 119.9° | 120.0° |
| CAC | NAZ | OAE | H26 | 64.1° | 60.0° |
| CAB | NAZ | CAM | H18 | 36.3° | 65.0° |
| CAB | NAZ | CAM | H19 | 83.8° | 55.0° |
| NAZ | CAB | H20 | H21 | 120.0° | 120.0° |
| NAZ | CAB | H20 | H22 | 120.0° | 120.1° |
| NAZ | CAB | H21 | H22 | 120.0° | 120.0° |
| CAB | NAZ | CAC | H23 | 58.6° | 180.0° |
| CAB | NAZ | CAC | H24 | 61.4° | 60.0° |
| CAB | NAZ | CAC | H25 | 178.7° | 60.0° |
| CAB | NAZ | OAE | H26 | 64.1° | 60.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H5 | CAF | CAI | H6 | 0.0° | 0.0° |
| H9 | CAH | CAG | H11 | 15.8° | 54.6° |
| H9 | CAH | CAG | H12 | 104.1° | 63.8° |
| H10 | CAH | CAG | H11 | 135.8° | 175.3° |
| H10 | CAH | CAG | H12 | 15.9° | 56.8° |
| H11 | CAG | CAR | H13 | 151.3° | 176.6° |
| H12 | CAG | CAR | H13 | 31.3° | 58.7° |
| H13 | CAR | NAO | H14 | 42.4° | 50.9° |
| H14 | NAO | CAL | H16 | 86.8° | 176.0° |
| H14 | NAO | CAL | H17 | 153.2° | 64.0° |
| H16 | CAL | CAM | H18 | 122.1° | 180.0° |
| H16 | CAL | CAM | H19 | 117.9° | 60.0° |
| H17 | CAL | CAM | H18 | 117.9° | 60.0° |
| H17 | CAL | CAM | H19 | 2.1° | 180.0° |
| H20 | CAB | H21 | H22 | 120.0° | 120.0° |
| H23 | CAC | H24 | H25 | 120.0° | 119.9° |
