9GY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAR | CAQ | doub | 1.21Å | 1.23Å | |
| CBE | CAO | sing | 1.53Å | 1.54Å | |
| CAS | CAQ | sing | 1.51Å | 1.56Å | |
| CAQ | NAP | sing | 1.35Å | 1.36Å | |
| NAP | CAO | sing | 1.47Å | 1.52Å | |
| NAP | CAJ | sing | 1.40Å | 1.36Å | |
| CAO | CAN | sing | 1.54Å | 1.55Å | |
| CAK | CAJ | doub | 1.39Å | 1.41Å | Aromatic |
| CAK | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | NAM | sing | 1.46Å | 1.50Å | |
| CAI | NAM | sing | 1.40Å | 1.37Å | |
| CAI | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAH | sing | 1.39Å | 1.41Å | Aromatic |
| CAG | CAE | sing | 1.48Å | 1.42Å | |
| NAM | CAT | sing | 1.35Å | 1.36Å | |
| CAD | CAE | doub | 1.39Å | 1.41Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.41Å | Aromatic |
| CBD | NBC | sing | 1.47Å | 1.49Å | |
| CAE | CAF | sing | 1.40Å | 1.41Å | Aromatic |
| NBC | CBA | sing | 1.35Å | 1.34Å | |
| CBA | OBB | doub | 1.22Å | 1.23Å | |
| CBA | CAC | sing | 1.48Å | 1.41Å | |
| CAC | CAB | doub | 1.40Å | 1.40Å | Aromatic |
| CAT | OAU | doub | 1.22Å | 1.24Å | |
| CAT | CAV | sing | 1.47Å | 1.34Å | |
| CAF | CAA | doub | 1.38Å | 1.41Å | Aromatic |
| OAW | CAV | sing | 1.35Å | 1.37Å | Aromatic |
| OAW | CAX | sing | 1.34Å | 1.41Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAZ | doub | 1.37Å | 1.34Å | Aromatic |
| CAX | CAY | doub | 1.35Å | 1.34Å | Aromatic |
| CAZ | CAY | sing | 1.40Å | 1.33Å | Aromatic |
| CBD | H1 | sing | 1.09Å | 1.10Å | |
| CBD | H2 | sing | 1.09Å | 1.10Å | |
| CBD | H3 | sing | 1.09Å | 1.10Å | |
| NBC | H4 | sing | 0.97Å | 1.00Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAB | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| CAS | H14 | sing | 1.09Å | 1.10Å | |
| CAO | H15 | sing | 1.09Å | 1.10Å | |
| CBE | H16 | sing | 1.09Å | 1.10Å | |
| CBE | H17 | sing | 1.09Å | 1.10Å | |
| CBE | H18 | sing | 1.09Å | 1.10Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å | |
| CAN | H20 | sing | 1.09Å | 1.10Å | |
| CAX | H21 | sing | 1.08Å | 1.08Å | |
| CAY | H22 | sing | 1.08Å | 1.08Å | |
| CAZ | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAR | CAQ | CAS | 118.9° | 120.0° |
| OAR | CAQ | NAP | 121.7° | 120.1° |
| CBE | CAO | NAP | 111.1° | 109.7° |
| CBE | CAO | CAN | 111.6° | 109.7° |
| CBE | CAO | H15 | 107.6° | 109.7° |
| CAO | CBE | H16 | 109.5° | 109.5° |
| CAO | CBE | H17 | 109.5° | 109.5° |
| CAO | CBE | H18 | 109.5° | 109.5° |
| CAS | CAQ | NAP | 119.3° | 120.0° |
| CAQ | CAS | H12 | 109.5° | 109.5° |
| CAQ | CAS | H13 | 109.5° | 109.5° |
| CAQ | CAS | H14 | 109.5° | 109.5° |
| CAQ | NAP | CAO | 116.6° | 120.6° |
| CAQ | NAP | CAJ | 125.9° | 120.6° |
| CAO | NAP | CAJ | 117.5° | 118.8° |
| NAP | CAO | CAN | 111.1° | 108.2° |
| NAP | CAO | H15 | 107.8° | 109.7° |
| NAP | CAJ | CAK | 124.3° | 120.2° |
| NAP | CAJ | CAI | 116.9° | 119.7° |
| CAO | CAN | NAM | 107.2° | 108.9° |
| CAN | CAO | H15 | 107.5° | 109.8° |
| CAO | CAN | H19 | 110.1° | 109.7° |
| CAO | CAN | H20 | 110.0° | 109.7° |
| CAJ | CAK | CAL | 119.6° | 120.1° |
| CAK | CAJ | CAI | 118.9° | 120.1° |
| CAJ | CAK | H11 | 120.2° | 120.0° |
| CAK | CAL | CAG | 122.8° | 120.1° |
| CAK | CAL | H10 | 118.6° | 120.0° |
| CAL | CAK | H11 | 120.2° | 119.9° |
| CAJ | CAI | NAM | 116.2° | 119.9° |
| CAJ | CAI | CAH | 120.6° | 120.0° |
| CAL | CAG | CAH | 116.6° | 120.0° |
| CAL | CAG | CAE | 120.0° | 120.0° |
| CAG | CAL | H10 | 118.6° | 119.9° |
| CAN | NAM | CAI | 110.9° | 119.0° |
| CAN | NAM | CAT | 118.0° | 120.4° |
| NAM | CAN | H19 | 110.0° | 108.7° |
| NAM | CAN | H20 | 110.1° | 110.1° |
| NAM | CAI | CAH | 122.8° | 120.2° |
| CAI | NAM | CAT | 130.5° | 120.6° |
| CAI | CAH | CAG | 121.4° | 119.8° |
| CAI | CAH | H9 | 119.3° | 120.1° |
| CAH | CAG | CAE | 123.3° | 120.0° |
| CAG | CAH | H9 | 119.3° | 120.1° |
| CAG | CAE | CAD | 121.3° | 120.1° |
| CAG | CAE | CAF | 120.2° | 120.0° |
| NAM | CAT | OAU | 118.0° | 120.0° |
| NAM | CAT | CAV | 125.4° | 120.0° |
| CAE | CAD | CAC | 121.1° | 119.7° |
| CAD | CAE | CAF | 118.4° | 119.9° |
| CAE | CAD | H5 | 119.4° | 120.1° |
| CAD | CAC | CBA | 122.8° | 120.1° |
| CAD | CAC | CAB | 119.1° | 119.8° |
| CAC | CAD | H5 | 119.5° | 120.2° |
| CBD | NBC | CBA | 118.3° | 120.0° |
| NBC | CBD | H1 | 109.5° | 109.5° |
| NBC | CBD | H2 | 109.5° | 109.5° |
| NBC | CBD | H3 | 109.5° | 109.4° |
| CBD | NBC | H4 | 120.8° | 119.9° |
| CAE | CAF | CAA | 121.3° | 120.1° |
| CAE | CAF | H8 | 119.3° | 120.0° |
| NBC | CBA | OBB | 122.3° | 120.0° |
| NBC | CBA | CAC | 116.3° | 120.0° |
| CBA | NBC | H4 | 120.8° | 120.1° |
| OBB | CBA | CAC | 121.4° | 120.0° |
| CBA | CAC | CAB | 118.1° | 120.1° |
| CAC | CAB | CAA | 121.1° | 120.1° |
| CAC | CAB | H6 | 119.4° | 120.0° |
| OAU | CAT | CAV | 116.2° | 120.0° |
| CAT | CAV | OAW | 127.0° | 126.0° |
| CAT | CAV | CAZ | 124.1° | 126.0° |
| CAF | CAA | CAB | 119.0° | 120.3° |
| CAF | CAA | H7 | 120.5° | 119.8° |
| CAA | CAF | H8 | 119.3° | 119.9° |
| CAV | OAW | CAX | 105.2° | 109.4° |
| OAW | CAV | CAZ | 108.8° | 108.0° |
| OAW | CAX | CAY | 107.8° | 108.8° |
| OAW | CAX | H21 | 126.1° | 125.7° |
| CAA | CAB | H6 | 119.5° | 119.9° |
| CAB | CAA | H7 | 120.5° | 119.9° |
| CAV | CAZ | CAY | 109.2° | 106.7° |
| CAV | CAZ | H23 | 125.4° | 126.7° |
| CAX | CAY | CAZ | 109.0° | 107.1° |
| CAY | CAX | H21 | 126.1° | 125.6° |
| CAX | CAY | H22 | 125.5° | 126.5° |
| CAZ | CAY | H22 | 125.5° | 126.4° |
| CAY | CAZ | H23 | 125.4° | 126.7° |
| H1 | CBD | H2 | 109.4° | 109.5° |
| H1 | CBD | H3 | 109.5° | 109.5° |
| H2 | CBD | H3 | 109.5° | 109.5° |
| H12 | CAS | H13 | 109.5° | 109.5° |
| H12 | CAS | H14 | 109.4° | 109.4° |
| H13 | CAS | H14 | 109.5° | 109.5° |
| H16 | CBE | H17 | 109.5° | 109.5° |
| H16 | CBE | H18 | 109.4° | 109.5° |
| H17 | CBE | H18 | 109.5° | 109.4° |
| H19 | CAN | H20 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAR | CAQ | CAS | NAP | 179.7° | 180.0° |
| OAR | CAQ | NAP | CAO | 1.3° | 178.9° |
| OAR | CAQ | NAP | CAJ | 179.7° | 1.1° |
| OAR | CAQ | CAS | H12 | 0.0° | 174.8° |
| OAR | CAQ | CAS | H13 | 120.0° | 54.9° |
| OAR | CAQ | CAS | H14 | 120.0° | 65.2° |
| CBE | CAO | NAP | CAQ | 80.4° | 105.4° |
| CBE | CAO | NAP | CAN | 124.9° | 119.7° |
| CBE | CAO | NAP | H15 | 117.6° | 120.6° |
| CBE | CAO | NAP | CAJ | 100.5° | 74.5° |
| CBE | CAO | CAN | H15 | 117.7° | 120.6° |
| CBE | CAO | CAN | NAM | 150.3° | 63.8° |
| CAO | CBE | H16 | H17 | 120.0° | 120.0° |
| CAO | CBE | H16 | H18 | 120.0° | 120.0° |
| CAO | CBE | H17 | H18 | 120.0° | 120.0° |
| CBE | CAO | CAN | H19 | 90.0° | 177.4° |
| CBE | CAO | CAN | H20 | 30.7° | 56.8° |
| CAS | CAQ | NAP | CAO | 179.1° | 1.2° |
| CAS | CAQ | NAP | CAJ | 0.1° | 178.9° |
| CAQ | CAS | H12 | H13 | 120.0° | 120.0° |
| CAQ | CAS | H12 | H14 | 120.0° | 120.0° |
| CAQ | CAS | H13 | H14 | 120.0° | 120.0° |
| CAQ | NAP | CAO | CAJ | 179.1° | 179.9° |
| CAQ | NAP | CAO | CAN | 154.7° | 135.0° |
| CAQ | NAP | CAJ | CAK | 44.1° | 16.5° |
| CAQ | NAP | CAJ | CAI | 136.6° | 162.6° |
| NAP | CAQ | CAS | H12 | 179.6° | 5.1° |
| NAP | CAQ | CAS | H13 | 60.3° | 125.1° |
| NAP | CAQ | CAS | H14 | 59.7° | 114.8° |
| CAQ | NAP | CAO | H15 | 37.2° | 15.2° |
| NAP | CAO | CAN | H15 | 117.7° | 119.7° |
| CAO | NAP | CAJ | CAK | 136.9° | 163.5° |
| CAO | NAP | CAJ | CAI | 42.4° | 17.4° |
| NAP | CAO | CAN | NAM | 25.8° | 55.8° |
| NAP | CAO | CBE | H16 | 180.0° | 60.0° |
| NAP | CAO | CBE | H17 | 60.0° | 180.0° |
| NAP | CAO | CBE | H18 | 60.0° | 60.0° |
| NAP | CAO | CAN | H19 | 145.4° | 63.0° |
| NAP | CAO | CAN | H20 | 93.9° | 176.4° |
| CAJ | NAP | CAO | CAN | 24.4° | 45.1° |
| NAP | CAJ | CAK | CAI | 179.3° | 179.1° |
| NAP | CAJ | CAK | CAL | 179.7° | 179.7° |
| NAP | CAJ | CAI | NAM | 3.4° | 0.5° |
| NAP | CAJ | CAI | CAH | 176.9° | 179.5° |
| NAP | CAJ | CAK | H11 | 0.3° | 1.0° |
| CAJ | NAP | CAO | H15 | 141.9° | 164.9° |
| CAO | CAN | NAM | H19 | 119.7° | 119.4° |
| CAO | CAN | NAM | H20 | 119.6° | 120.3° |
| CAO | CAN | NAM | CAI | 64.0° | 43.8° |
| CAO | CAN | NAM | CAT | 124.0° | 135.3° |
| CAN | CAO | CBE | H16 | 55.4° | 58.8° |
| CAN | CAO | CBE | H17 | 175.5° | 61.3° |
| CAN | CAO | CBE | H18 | 64.5° | 178.8° |
| CAO | CAN | H19 | H20 | 121.0° | 120.6° |
| CAJ | CAK | CAL | H11 | 180.0° | 179.3° |
| CAJ | CAK | CAL | CAG | 1.3° | 0.5° |
| CAK | CAJ | CAI | NAM | 176.0° | 179.6° |
| CAK | CAJ | CAI | CAH | 2.4° | 0.4° |
| CAJ | CAK | CAL | H10 | 178.7° | 179.6° |
| CAL | CAK | CAJ | CAI | 0.5° | 0.6° |
| CAK | CAL | CAG | H10 | 180.0° | 179.9° |
| CAK | CAL | CAG | CAH | 0.8° | 0.1° |
| CAK | CAL | CAG | CAE | 178.2° | 179.7° |
| CAJ | CAI | NAM | CAN | 51.3° | 15.7° |
| CAJ | CAI | NAM | CAH | 173.4° | 180.0° |
| CAJ | CAI | CAH | CAG | 4.6° | 0.1° |
| CAJ | CAI | NAM | CAT | 138.0° | 163.3° |
| CAJ | CAI | CAH | H9 | 175.4° | 180.0° |
| CAI | CAJ | CAK | H11 | 179.5° | 179.9° |
| CAL | CAG | CAH | CAI | 3.7° | 0.2° |
| CAL | CAG | CAH | CAE | 177.3° | 179.8° |
| CAL | CAG | CAE | CAD | 24.1° | 6.2° |
| CAL | CAG | CAE | CAF | 152.2° | 173.9° |
| CAL | CAG | CAH | H9 | 176.3° | 179.8° |
| CAG | CAL | CAK | H11 | 178.7° | 179.8° |
| CAN | NAM | CAI | CAT | 170.7° | 179.1° |
| CAN | NAM | CAI | CAH | 122.1° | 164.2° |
| CAN | NAM | CAT | OAU | 2.6° | 172.2° |
| CAN | NAM | CAT | CAV | 175.2° | 7.7° |
| NAM | CAN | CAO | H15 | 92.0° | 175.5° |
| NAM | CAN | H19 | H20 | 121.1° | 120.5° |
| NAM | CAI | CAH | CAG | 177.7° | 180.0° |
| CAI | NAM | CAT | OAU | 172.7° | 6.8° |
| CAI | NAM | CAT | CAV | 14.7° | 173.2° |
| NAM | CAI | CAH | H9 | 2.3° | 0.0° |
| CAI | NAM | CAN | H19 | 176.3° | 75.7° |
| CAI | NAM | CAN | H20 | 55.6° | 164.1° |
| CAI | CAH | CAG | H9 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAE | 179.0° | 180.0° |
| CAH | CAI | NAM | CAT | 48.6° | 16.7° |
| CAH | CAG | CAE | CAD | 158.6° | 174.0° |
| CAH | CAG | CAE | CAF | 25.1° | 5.9° |
| CAH | CAG | CAL | H10 | 179.2° | 180.0° |
| CAG | CAE | CAD | CAF | 176.3° | 180.0° |
| CAG | CAE | CAD | CAC | 177.2° | 180.0° |
| CAG | CAE | CAF | CAA | 178.8° | 179.7° |
| CAG | CAE | CAD | H5 | 2.8° | 0.0° |
| CAG | CAE | CAF | H8 | 1.1° | 0.0° |
| CAE | CAG | CAH | H9 | 1.0° | 0.0° |
| CAE | CAG | CAL | H10 | 1.8° | 0.2° |
| NAM | CAT | OAU | CAV | 173.3° | 180.0° |
| NAM | CAT | CAV | OAW | 7.6° | 6.7° |
| NAM | CAT | CAV | CAZ | 175.6° | 173.0° |
| CAT | NAM | CAN | H19 | 4.3° | 105.3° |
| CAT | NAM | CAN | H20 | 116.4° | 15.0° |
| CAE | CAD | CAC | H5 | 180.0° | 180.0° |
| CAE | CAD | CAC | CBA | 178.2° | 180.0° |
| CAE | CAD | CAC | CAB | 0.7° | 0.2° |
| CAD | CAE | CAF | CAA | 2.5° | 0.2° |
| CAD | CAE | CAF | H8 | 177.5° | 180.0° |
| CAC | CAD | CAE | CAF | 0.9° | 0.0° |
| CAD | CAC | CBA | NBC | 129.5° | 179.7° |
| CAD | CAC | CBA | OBB | 52.5° | 0.2° |
| CAD | CAC | CBA | CAB | 177.5° | 179.8° |
| CAD | CAC | CAB | CAA | 0.7° | 0.2° |
| CAD | CAC | CAB | H6 | 179.3° | 179.8° |
| CBD | NBC | CBA | H4 | 180.0° | 179.9° |
| CBD | NBC | CBA | OBB | 1.3° | 0.1° |
| CBD | NBC | CBA | CAC | 176.7° | 180.0° |
| NBC | CBD | H1 | H2 | 120.0° | 120.1° |
| NBC | CBD | H1 | H3 | 120.0° | 119.9° |
| NBC | CBD | H2 | H3 | 120.0° | 119.9° |
| CAE | CAF | CAA | H8 | 180.0° | 179.7° |
| CAE | CAF | CAA | CAB | 2.5° | 0.2° |
| CAF | CAE | CAD | H5 | 179.1° | 180.0° |
| CAE | CAF | CAA | H7 | 177.5° | 179.7° |
| NBC | CBA | OBB | CAC | 177.9° | 179.9° |
| NBC | CBA | CAC | CAB | 53.0° | 0.1° |
| CBA | NBC | CBD | H1 | 180.0° | 59.9° |
| CBA | NBC | CBD | H2 | 60.0° | 180.0° |
| CBA | NBC | CBD | H3 | 60.0° | 60.0° |
| OBB | CBA | CAC | CAB | 125.0° | 180.0° |
| OBB | CBA | NBC | H4 | 178.7° | 180.0° |
| CBA | CAC | CAB | CAA | 178.3° | 180.0° |
| CAC | CBA | NBC | H4 | 3.3° | 0.1° |
| CBA | CAC | CAD | H5 | 1.8° | 0.0° |
| CBA | CAC | CAB | H6 | 1.7° | 0.0° |
| CAC | CAB | CAA | CAF | 0.8° | 0.0° |
| CAC | CAB | CAA | H6 | 180.0° | 180.0° |
| CAB | CAC | CAD | H5 | 179.3° | 179.7° |
| CAC | CAB | CAA | H7 | 179.1° | 180.0° |
| OAU | CAT | CAV | OAW | 165.1° | 173.3° |
| OAU | CAT | CAV | CAZ | 11.7° | 7.0° |
| CAT | CAV | OAW | CAZ | 177.3° | 179.7° |
| CAT | CAV | OAW | CAX | 177.8° | 180.0° |
| CAT | CAV | CAZ | CAY | 177.6° | 179.9° |
| CAT | CAV | CAZ | H23 | 2.4° | 0.1° |
| CAF | CAA | CAB | H7 | 180.0° | 179.9° |
| CAF | CAA | CAB | H6 | 179.2° | 180.0° |
| CAV | OAW | CAX | CAY | 0.6° | 0.0° |
| OAW | CAV | CAZ | CAY | 0.2° | 0.4° |
| CAV | OAW | CAX | H21 | 179.3° | 180.0° |
| OAW | CAV | CAZ | H23 | 179.8° | 179.8° |
| CAX | OAW | CAV | CAZ | 0.5° | 0.3° |
| OAW | CAX | CAY | H21 | 180.0° | 180.0° |
| OAW | CAX | CAY | CAZ | 0.5° | 0.2° |
| OAW | CAX | CAY | H22 | 179.5° | 180.0° |
| CAB | CAA | CAF | H8 | 177.5° | 180.0° |
| CAV | CAZ | CAY | CAX | 0.2° | 0.4° |
| CAV | CAZ | CAY | H23 | 180.0° | 179.8° |
| CAV | CAZ | CAY | H22 | 179.8° | 179.9° |
| CAX | CAY | CAZ | H22 | 180.0° | 179.7° |
| CAX | CAY | CAZ | H23 | 179.8° | 179.8° |
| CAZ | CAY | CAX | H21 | 179.5° | 179.7° |
| H1 | CBD | H2 | H3 | 120.0° | 120.0° |
| H1 | CBD | NBC | H4 | 0.0° | 120.0° |
| H2 | CBD | NBC | H4 | 120.0° | 0.1° |
| H3 | CBD | NBC | H4 | 120.0° | 120.1° |
| H6 | CAB | CAA | H7 | 0.9° | 0.0° |
| H7 | CAA | CAF | H8 | 2.5° | 0.0° |
| H10 | CAL | CAK | H11 | 1.3° | 0.3° |
| H12 | CAS | H13 | H14 | 120.0° | 120.0° |
| H15 | CAO | CBE | H16 | 62.2° | 179.4° |
| H15 | CAO | CBE | H17 | 57.8° | 59.4° |
| H15 | CAO | CBE | H18 | 177.8° | 60.6° |
| H15 | CAO | CAN | H19 | 27.7° | 56.7° |
| H15 | CAO | CAN | H20 | 148.4° | 63.8° |
| H16 | CBE | H17 | H18 | 120.0° | 120.0° |
| H21 | CAX | CAY | H22 | 0.5° | 0.0° |
| H22 | CAY | CAZ | H23 | 0.2° | 0.0° |
