9Q6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAM | CAL | doub | 1.22Å | 1.23Å | |
| OBD | CAU | sing | 1.43Å | 1.43Å | |
| CAL | NAN | sing | 1.34Å | 1.40Å | |
| CAL | NAK | sing | 1.34Å | 1.34Å | |
| NAN | CAO | sing | 1.34Å | 1.40Å | |
| NAK | CAJ | doub | 1.31Å | 1.35Å | |
| OBE | CAT | sing | 1.43Å | 1.43Å | |
| CAU | CAT | sing | 1.53Å | 1.53Å | |
| CAU | CAV | sing | 1.53Å | 1.53Å | |
| CAW | CAV | sing | 1.53Å | 1.53Å | |
| CAW | OAX | sing | 1.43Å | 1.42Å | |
| CAT | CAS | sing | 1.53Å | 1.53Å | |
| CAV | OBC | sing | 1.43Å | 1.43Å | |
| CAS | NAI | sing | 1.47Å | 1.50Å | |
| OAX | PAY | sing | 1.61Å | 1.61Å | |
| CAJ | NAI | sing | 1.35Å | 1.35Å | |
| CAJ | CAQ | sing | 1.50Å | 1.40Å | |
| CAO | OAP | doub | 1.21Å | 1.23Å | |
| CAO | CAQ | sing | 1.50Å | 1.38Å | |
| NAI | CAE | sing | 1.40Å | 1.35Å | |
| OBB | PAY | doub | 1.48Å | 1.62Å | |
| CAQ | OBF | sing | 1.43Å | 1.43Å | |
| CAQ | NAR | sing | 1.47Å | 1.46Å | |
| PAY | OBA | sing | 1.61Å | 1.61Å | |
| PAY | OAZ | sing | 1.61Å | 1.49Å | |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | doub | 1.40Å | 1.40Å | Aromatic |
| NAR | CAD | sing | 1.41Å | 1.34Å | |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.51Å | 1.39Å | |
| CAG | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.51Å | 1.39Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| CAT | H11 | sing | 1.09Å | 1.10Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.09Å | 1.10Å | |
| CAW | H15 | sing | 1.09Å | 1.10Å | |
| NAN | H16 | sing | 0.97Å | 1.00Å | |
| NAR | H17 | sing | 0.97Å | 1.00Å | |
| OAZ | H18 | sing | 0.97Å | 0.95Å | |
| OBA | H19 | sing | 0.97Å | 0.95Å | |
| OBC | H20 | sing | 0.97Å | 0.95Å | |
| OBD | H21 | sing | 0.97Å | 0.95Å | |
| OBE | H22 | sing | 0.97Å | 0.95Å | |
| OBF | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAM | CAL | NAN | 120.2° | 119.0° |
| OAM | CAL | NAK | 120.3° | 119.1° |
| OBD | CAU | CAT | 110.2° | 109.4° |
| OBD | CAU | CAV | 108.1° | 109.4° |
| OBD | CAU | H12 | 109.7° | 109.5° |
| CAU | OBD | H21 | 109.5° | 114.1° |
| NAN | CAL | NAK | 119.4° | 121.9° |
| CAL | NAN | CAO | 119.1° | 120.7° |
| CAL | NAN | H16 | 120.4° | 119.5° |
| CAL | NAK | CAJ | 121.1° | 122.3° |
| NAN | CAO | OAP | 119.4° | 119.6° |
| NAN | CAO | CAQ | 120.0° | 120.6° |
| CAO | NAN | H16 | 120.5° | 119.7° |
| NAK | CAJ | NAI | 119.1° | 120.2° |
| NAK | CAJ | CAQ | 121.7° | 120.7° |
| OBE | CAT | CAU | 108.0° | 109.5° |
| OBE | CAT | CAS | 109.4° | 109.4° |
| OBE | CAT | H11 | 110.5° | 109.4° |
| CAT | OBE | H22 | 109.5° | 114.0° |
| CAT | CAU | CAV | 111.9° | 109.5° |
| CAU | CAT | CAS | 110.9° | 109.5° |
| CAU | CAT | H11 | 108.9° | 109.5° |
| CAT | CAU | H12 | 108.4° | 109.5° |
| CAU | CAV | CAW | 107.3° | 109.5° |
| CAU | CAV | OBC | 110.5° | 109.4° |
| CAV | CAU | H12 | 108.5° | 109.5° |
| CAU | CAV | H13 | 109.2° | 109.5° |
| CAV | CAW | OAX | 109.5° | 109.5° |
| CAW | CAV | OBC | 109.9° | 109.5° |
| CAW | CAV | H13 | 109.2° | 109.5° |
| CAV | CAW | H14 | 109.5° | 109.5° |
| CAV | CAW | H15 | 109.5° | 109.4° |
| CAW | OAX | PAY | 120.2° | 123.0° |
| OAX | CAW | H14 | 109.5° | 109.5° |
| OAX | CAW | H15 | 109.4° | 109.5° |
| CAT | CAS | NAI | 113.5° | 109.5° |
| CAT | CAS | H9 | 108.4° | 109.5° |
| CAT | CAS | H10 | 108.5° | 109.4° |
| CAS | CAT | H11 | 109.0° | 109.5° |
| OBC | CAV | H13 | 110.6° | 109.4° |
| CAV | OBC | H20 | 109.5° | 114.0° |
| CAS | NAI | CAJ | 119.8° | 120.0° |
| CAS | NAI | CAE | 120.1° | 120.0° |
| NAI | CAS | H9 | 108.5° | 109.5° |
| NAI | CAS | H10 | 108.5° | 109.5° |
| OAX | PAY | OBB | 107.5° | 109.4° |
| OAX | PAY | OBA | 104.7° | 109.5° |
| OAX | PAY | OAZ | 114.2° | 109.5° |
| NAI | CAJ | CAQ | 118.4° | 119.1° |
| CAJ | NAI | CAE | 120.1° | 120.0° |
| CAJ | CAQ | CAO | 116.0° | 111.0° |
| CAJ | CAQ | OBF | 103.5° | 108.6° |
| CAJ | CAQ | NAR | 115.8° | 108.8° |
| OAP | CAO | CAQ | 119.3° | 119.8° |
| CAO | CAQ | OBF | 101.1° | 108.7° |
| CAO | CAQ | NAR | 115.9° | 111.9° |
| NAI | CAE | CAF | 119.9° | 120.4° |
| NAI | CAE | CAD | 121.2° | 120.1° |
| OBB | PAY | OBA | 105.8° | 109.5° |
| OBB | PAY | OAZ | 111.4° | 109.5° |
| OBF | CAQ | NAR | 101.0° | 107.7° |
| CAQ | OBF | H23 | 109.5° | 114.0° |
| CAQ | NAR | CAD | 116.1° | 116.4° |
| CAQ | NAR | H17 | 107.8° | 121.9° |
| OBA | PAY | OAZ | 112.6° | 109.5° |
| PAY | OBA | H19 | 109.5° | 114.0° |
| PAY | OAZ | H18 | 109.5° | 114.0° |
| CAF | CAE | CAD | 118.8° | 119.5° |
| CAE | CAF | CAG | 120.5° | 119.9° |
| CAE | CAF | H5 | 119.8° | 120.1° |
| CAE | CAD | NAR | 119.7° | 118.8° |
| CAE | CAD | CAC | 120.8° | 120.3° |
| NAR | CAD | CAC | 119.5° | 120.9° |
| CAD | NAR | H17 | 107.8° | 121.8° |
| CAF | CAG | CAH | 118.9° | 119.8° |
| CAF | CAG | CAB | 120.4° | 120.4° |
| CAG | CAF | H5 | 119.7° | 120.0° |
| CAD | CAC | CAB | 119.8° | 119.7° |
| CAD | CAC | H4 | 120.1° | 120.1° |
| CAH | CAG | CAB | 120.7° | 119.8° |
| CAG | CAH | H6 | 109.5° | 109.5° |
| CAG | CAH | H7 | 109.5° | 109.5° |
| CAG | CAH | H8 | 109.4° | 109.5° |
| CAG | CAB | CAC | 119.6° | 120.2° |
| CAG | CAB | CAA | 120.6° | 119.9° |
| CAC | CAB | CAA | 119.8° | 119.9° |
| CAB | CAC | H4 | 120.1° | 120.1° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.5° | 109.5° |
| CAB | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H6 | CAH | H7 | 109.4° | 109.4° |
| H6 | CAH | H8 | 109.5° | 109.4° |
| H7 | CAH | H8 | 109.5° | 109.4° |
| H9 | CAS | H10 | 109.4° | 109.5° |
| H14 | CAW | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAM | CAL | NAN | NAK | 178.8° | 179.8° |
| OAM | CAL | NAN | CAO | 178.2° | 170.6° |
| OAM | CAL | NAK | CAJ | 178.9° | 172.6° |
| OAM | CAL | NAN | H16 | 1.8° | 9.3° |
| OBD | CAU | CAT | OBE | 67.5° | 180.0° |
| OBD | CAU | CAT | CAV | 120.3° | 119.9° |
| OBD | CAU | CAT | H12 | 120.1° | 120.0° |
| OBD | CAU | CAV | H12 | 119.0° | 120.1° |
| OBD | CAU | CAV | CAW | 79.6° | 60.0° |
| OBD | CAU | CAT | CAS | 52.5° | 60.1° |
| OBD | CAU | CAV | OBC | 160.5° | 179.9° |
| OBD | CAU | CAT | H11 | 172.5° | 60.0° |
| OBD | CAU | CAV | H13 | 38.6° | 60.0° |
| CAL | NAN | CAO | H16 | 180.0° | 179.9° |
| NAN | CAL | NAK | CAJ | 0.1° | 7.5° |
| CAL | NAN | CAO | OAP | 177.3° | 177.1° |
| CAL | NAN | CAO | CAQ | 10.4° | 2.9° |
| NAK | CAL | NAN | CAO | 0.6° | 9.6° |
| CAL | NAK | CAJ | NAI | 178.5° | 172.5° |
| CAL | NAK | CAJ | CAQ | 9.0° | 6.9° |
| NAK | CAL | NAN | H16 | 179.4° | 170.5° |
| NAN | CAO | CAQ | CAJ | 18.5° | 15.0° |
| NAN | CAO | OAP | CAQ | 167.0° | 179.9° |
| NAN | CAO | CAQ | OBF | 92.6° | 104.4° |
| NAN | CAO | CAQ | NAR | 159.3° | 136.8° |
| NAK | CAJ | NAI | CAS | 1.4° | 11.9° |
| NAK | CAJ | NAI | CAQ | 169.9° | 179.5° |
| NAK | CAJ | CAQ | CAO | 18.1° | 17.1° |
| NAK | CAJ | NAI | CAE | 178.1° | 168.2° |
| NAK | CAJ | CAQ | OBF | 91.6° | 102.3° |
| NAK | CAJ | CAQ | NAR | 158.9° | 140.7° |
| OBE | CAT | CAU | CAS | 119.9° | 120.0° |
| OBE | CAT | CAU | H11 | 120.1° | 120.0° |
| OBE | CAT | CAU | CAV | 172.2° | 60.0° |
| OBE | CAT | CAS | H11 | 121.0° | 119.9° |
| OBE | CAT | CAS | NAI | 65.2° | 60.0° |
| OBE | CAT | CAS | H9 | 55.4° | 60.0° |
| OBE | CAT | CAS | H10 | 174.2° | 179.9° |
| OBE | CAT | CAU | H12 | 52.7° | 60.0° |
| CAT | CAU | CAV | H12 | 119.5° | 120.0° |
| CAT | CAU | CAV | CAW | 158.8° | 180.0° |
| CAU | CAT | CAS | H11 | 119.9° | 120.1° |
| CAT | CAU | CAV | OBC | 38.9° | 60.0° |
| CAU | CAT | CAS | NAI | 175.7° | 180.0° |
| CAU | CAT | CAS | H9 | 63.7° | 59.9° |
| CAU | CAT | CAS | H10 | 55.1° | 60.1° |
| CAT | CAU | CAV | H13 | 82.9° | 59.9° |
| CAT | CAU | OBD | H21 | 180.0° | 60.0° |
| CAU | CAT | OBE | H22 | 180.0° | 60.0° |
| CAU | CAV | CAW | OBC | 120.2° | 120.0° |
| CAU | CAV | CAW | H13 | 118.3° | 120.1° |
| CAU | CAV | CAW | OAX | 173.6° | 175.1° |
| CAV | CAU | CAT | CAS | 67.9° | 180.0° |
| CAU | CAV | OBC | H13 | 121.1° | 120.0° |
| CAV | CAU | CAT | H11 | 52.1° | 59.9° |
| CAU | CAV | CAW | H14 | 53.6° | 55.0° |
| CAU | CAV | CAW | H15 | 66.4° | 65.0° |
| CAU | CAV | OBC | H20 | 180.0° | 60.0° |
| CAV | CAU | OBD | H21 | 57.4° | 59.9° |
| CAV | CAW | OAX | H14 | 120.0° | 120.0° |
| CAV | CAW | OAX | H15 | 120.0° | 120.0° |
| CAW | CAV | OBC | H13 | 120.6° | 120.0° |
| CAV | CAW | OAX | PAY | 92.4° | 180.0° |
| CAW | CAV | CAU | H12 | 39.3° | 60.0° |
| CAV | CAW | H14 | H15 | 120.0° | 120.0° |
| CAW | CAV | OBC | H20 | 61.7° | 60.0° |
| OAX | CAW | CAV | OBC | 66.2° | 65.0° |
| CAW | OAX | PAY | OBB | 49.2° | 55.0° |
| CAW | OAX | PAY | OBA | 161.4° | 64.9° |
| CAW | OAX | PAY | OAZ | 75.0° | 175.0° |
| OAX | CAW | CAV | H13 | 55.3° | 55.0° |
| OAX | CAW | H14 | H15 | 120.0° | 120.0° |
| CAT | CAS | NAI | H9 | 120.6° | 120.0° |
| CAT | CAS | NAI | H10 | 120.6° | 119.9° |
| CAT | CAS | NAI | CAJ | 82.6° | 90.0° |
| CAT | CAS | NAI | CAE | 94.1° | 90.0° |
| CAT | CAS | H9 | H10 | 118.2° | 119.9° |
| CAS | CAT | CAU | H12 | 172.6° | 59.9° |
| CAS | CAT | OBE | H22 | 59.1° | 60.0° |
| OBC | CAV | CAU | H12 | 80.6° | 60.0° |
| OBC | CAV | CAW | H14 | 173.8° | 175.0° |
| OBC | CAV | CAW | H15 | 53.8° | 55.0° |
| CAS | NAI | CAJ | CAE | 176.7° | 180.0° |
| CAS | NAI | CAJ | CAQ | 171.3° | 168.7° |
| CAS | NAI | CAE | CAF | 4.6° | 10.4° |
| CAS | NAI | CAE | CAD | 170.5° | 168.7° |
| NAI | CAS | H9 | H10 | 118.2° | 120.1° |
| NAI | CAS | CAT | H11 | 55.7° | 59.9° |
| OAX | PAY | OBB | OBA | 111.4° | 120.0° |
| OAX | PAY | OBB | OAZ | 125.9° | 120.0° |
| OAX | PAY | OBA | OAZ | 124.7° | 120.0° |
| PAY | OAX | CAW | H14 | 147.6° | 60.0° |
| PAY | OAX | CAW | H15 | 27.6° | 60.1° |
| OAX | PAY | OAZ | H18 | 122.1° | 180.0° |
| OAX | PAY | OBA | H19 | 113.4° | 60.1° |
| NAI | CAJ | CAQ | CAO | 172.3° | 162.3° |
| NAI | CAJ | CAQ | OBF | 78.0° | 78.2° |
| NAI | CAJ | CAQ | NAR | 31.5° | 38.8° |
| CAJ | NAI | CAE | CAF | 178.8° | 169.5° |
| CAJ | NAI | CAE | CAD | 6.2° | 11.3° |
| CAJ | NAI | CAS | H9 | 38.0° | 30.0° |
| CAJ | NAI | CAS | H10 | 156.8° | 150.1° |
| CAJ | CAQ | CAO | OAP | 174.6° | 164.9° |
| CAJ | CAQ | CAO | OBF | 111.1° | 119.4° |
| CAJ | CAQ | CAO | NAR | 140.8° | 121.8° |
| CAQ | CAJ | NAI | CAE | 12.0° | 11.3° |
| CAJ | CAQ | OBF | NAR | 120.2° | 117.7° |
| CAJ | CAQ | NAR | CAD | 33.6° | 46.4° |
| CAJ | CAQ | NAR | H17 | 87.3° | 133.7° |
| CAJ | CAQ | OBF | H23 | 147.7° | 180.0° |
| OAP | CAO | CAQ | OBF | 74.3° | 75.7° |
| OAP | CAO | CAQ | NAR | 33.8° | 43.1° |
| OAP | CAO | NAN | H16 | 2.7° | 3.1° |
| CAO | CAQ | OBF | NAR | 119.4° | 121.4° |
| CAO | CAQ | NAR | CAD | 174.5° | 169.4° |
| CAQ | CAO | NAN | H16 | 169.6° | 177.0° |
| CAO | CAQ | NAR | H17 | 53.5° | 10.6° |
| CAO | CAQ | OBF | H23 | 27.3° | 59.1° |
| NAI | CAE | CAF | CAD | 175.1° | 179.2° |
| NAI | CAE | CAD | NAR | 3.3° | 2.9° |
| NAI | CAE | CAF | CAG | 178.2° | 178.3° |
| NAI | CAE | CAD | CAC | 178.1° | 178.1° |
| NAI | CAE | CAF | H5 | 1.9° | 1.6° |
| CAE | NAI | CAS | H9 | 145.3° | 150.0° |
| CAE | NAI | CAS | H10 | 26.5° | 29.9° |
| OBB | PAY | OBA | OAZ | 121.9° | 120.0° |
| OBB | PAY | OAZ | H18 | 0.0° | 60.0° |
| OBB | PAY | OBA | H19 | 0.0° | 179.9° |
| OBF | CAQ | NAR | CAD | 77.3° | 71.2° |
| OBF | CAQ | NAR | H17 | 161.7° | 108.7° |
| CAQ | NAR | CAD | CAE | 16.5° | 27.8° |
| CAQ | NAR | CAD | H17 | 121.0° | 180.0° |
| CAQ | NAR | CAD | CAC | 162.1° | 151.1° |
| NAR | CAQ | OBF | H23 | 92.1° | 62.3° |
| OBA | PAY | OAZ | H18 | 118.7° | 60.0° |
| OAZ | PAY | OBA | H19 | 121.9° | 59.9° |
| CAF | CAE | CAD | NAR | 178.4° | 177.9° |
| CAE | CAF | CAG | H5 | 180.0° | 179.8° |
| CAF | CAE | CAD | CAC | 3.0° | 1.0° |
| CAE | CAF | CAG | CAH | 178.5° | 179.9° |
| CAE | CAF | CAG | CAB | 1.5° | 0.4° |
| CAE | CAD | NAR | CAC | 178.6° | 178.9° |
| CAD | CAE | CAF | CAG | 3.0° | 0.9° |
| CAE | CAD | CAC | CAB | 1.5° | 0.7° |
| CAE | CAD | CAC | H4 | 178.5° | 179.3° |
| CAD | CAE | CAF | H5 | 177.0° | 179.3° |
| CAE | CAD | NAR | H17 | 104.5° | 152.2° |
| NAR | CAD | CAC | CAB | 179.9° | 178.2° |
| NAR | CAD | CAC | H4 | 0.1° | 1.8° |
| CAF | CAG | CAH | CAB | 180.0° | 179.5° |
| CAF | CAG | CAB | CAC | 0.1° | 0.1° |
| CAF | CAG | CAB | CAA | 179.9° | 179.9° |
| CAF | CAG | CAH | H6 | 90.0° | 90.0° |
| CAF | CAG | CAH | H7 | 150.0° | 150.0° |
| CAF | CAG | CAH | H8 | 30.0° | 30.0° |
| CAD | CAC | CAB | CAG | 0.1° | 0.2° |
| CAD | CAC | CAB | H4 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 179.9° | 180.0° |
| CAC | CAD | NAR | H17 | 76.9° | 28.9° |
| CAH | CAG | CAB | CAC | 179.9° | 179.6° |
| CAH | CAG | CAB | CAA | 0.1° | 0.6° |
| CAH | CAG | CAF | H5 | 1.5° | 0.2° |
| CAG | CAH | H6 | H7 | 120.0° | 120.0° |
| CAG | CAH | H6 | H8 | 120.0° | 120.1° |
| CAG | CAH | H7 | H8 | 119.9° | 120.1° |
| CAG | CAB | CAC | CAA | 179.8° | 179.8° |
| CAG | CAB | CAA | H1 | 89.9° | 90.3° |
| CAG | CAB | CAA | H2 | 150.1° | 29.8° |
| CAG | CAB | CAA | H3 | 30.1° | 149.7° |
| CAG | CAB | CAC | H4 | 179.9° | 179.8° |
| CAB | CAG | CAF | H5 | 178.5° | 179.7° |
| CAB | CAG | CAH | H6 | 90.0° | 90.5° |
| CAB | CAG | CAH | H7 | 30.0° | 29.5° |
| CAB | CAG | CAH | H8 | 150.0° | 149.5° |
| CAC | CAB | CAA | H1 | 89.9° | 89.9° |
| CAC | CAB | CAA | H2 | 30.1° | 150.0° |
| CAC | CAB | CAA | H3 | 150.1° | 30.0° |
| CAB | CAA | H1 | H2 | 120.0° | 120.0° |
| CAB | CAA | H1 | H3 | 120.0° | 120.0° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAB | CAC | H4 | 0.1° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H6 | CAH | H7 | H8 | 120.0° | 119.9° |
| H9 | CAS | CAT | H11 | 176.4° | 180.0° |
| H10 | CAS | CAT | H11 | 64.9° | 60.0° |
| H11 | CAT | CAU | H12 | 67.4° | 180.0° |
| H11 | CAT | OBE | H22 | 60.9° | 180.0° |
| H12 | CAU | CAV | H13 | 157.6° | 179.9° |
| H12 | CAU | OBD | H21 | 60.7° | 180.0° |
| H13 | CAV | CAW | H14 | 64.7° | 65.0° |
| H13 | CAV | CAW | H15 | 175.3° | 175.0° |
| H13 | CAV | OBC | H20 | 58.9° | 180.0° |
