C9I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAZ | doub | 1.36Å | 1.39Å | Aromatic |
| CAY | CAX | sing | 1.41Å | 1.40Å | Aromatic |
| CBE | CAX | doub | 1.40Å | 1.41Å | Aromatic |
| CBE | CBD | sing | 1.36Å | 1.38Å | Aromatic |
| CAZ | CBA | sing | 1.39Å | 1.41Å | Aromatic |
| CAX | CAW | sing | 1.42Å | 1.44Å | Aromatic |
| CBD | CBC | doub | 1.39Å | 1.41Å | Aromatic |
| CBA | CAS | doub | 1.36Å | 1.40Å | Aromatic |
| CBC | CBB | sing | 1.36Å | 1.42Å | Aromatic |
| CAW | CAS | sing | 1.41Å | 1.42Å | Aromatic |
| CAW | CBB | doub | 1.41Å | 1.40Å | Aromatic |
| CAS | CAR | sing | 1.51Å | 1.46Å | |
| CAU | CAR | sing | 1.53Å | 1.54Å | |
| CAU | CAV | sing | 1.53Å | 1.56Å | |
| CAR | NAQ | sing | 1.47Å | 1.49Å | |
| OAO | CAN | doub | 1.21Å | 1.25Å | |
| NAQ | CAP | sing | 1.35Å | 1.37Å | |
| OAM | CAN | sing | 1.34Å | 1.37Å | |
| OAM | CAL | sing | 1.46Å | 1.48Å | |
| CAN | NAH | sing | 1.34Å | 1.36Å | |
| CAP | OAT | doub | 1.21Å | 1.24Å | |
| CAP | CAL | sing | 1.51Å | 1.55Å | |
| CAL | CAK | sing | 1.54Å | 1.57Å | |
| NAH | CAE | sing | 1.40Å | 1.32Å | |
| NAH | CAK | sing | 1.47Å | 1.53Å | |
| CAF | CAE | doub | 1.39Å | 1.38Å | Aromatic |
| CAF | CAA | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | NAC | doub | 1.31Å | 1.43Å | Aromatic |
| NAI | CAG | doub | 1.30Å | 1.35Å | |
| CAB | NAC | sing | 1.33Å | 1.35Å | Aromatic |
| CAB | CAG | sing | 1.48Å | 1.43Å | |
| CAG | NAJ | sing | 1.38Å | 1.35Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAU | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| CAV | H10 | sing | 1.09Å | 1.10Å | |
| CAV | H11 | sing | 1.09Å | 1.10Å | |
| CAV | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.08Å | 1.08Å | |
| CAZ | H14 | sing | 1.08Å | 1.08Å | |
| CBA | H15 | sing | 1.08Å | 1.08Å | |
| CBB | H16 | sing | 1.08Å | 1.08Å | |
| CBC | H17 | sing | 1.08Å | 1.08Å | |
| CBD | H18 | sing | 1.08Å | 1.08Å | |
| CBE | H19 | sing | 1.08Å | 1.08Å | |
| NAI | H20 | sing | 0.97Å | 1.00Å | |
| NAJ | H21 | sing | 0.97Å | 1.00Å | |
| NAJ | H22 | sing | 0.97Å | 1.00Å | |
| NAQ | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAZ | CAY | CAX | 116.0° | 119.7° |
| CAY | CAZ | CBA | 122.2° | 120.9° |
| CAZ | CAY | H13 | 122.0° | 120.1° |
| CAY | CAZ | H14 | 118.9° | 119.5° |
| CAY | CAX | CBE | 116.5° | 121.3° |
| CAY | CAX | CAW | 122.2° | 119.3° |
| CAX | CAY | H13 | 122.0° | 120.2° |
| CAX | CBE | CBD | 119.8° | 119.7° |
| CBE | CAX | CAW | 121.2° | 119.4° |
| CAX | CBE | H19 | 120.1° | 120.1° |
| CBE | CBD | CBC | 119.5° | 120.9° |
| CBE | CBD | H18 | 120.2° | 119.5° |
| CBD | CBE | H19 | 120.1° | 120.2° |
| CAZ | CBA | CAS | 123.5° | 121.0° |
| CBA | CAZ | H14 | 118.9° | 119.6° |
| CAZ | CBA | H15 | 118.3° | 119.5° |
| CAX | CAW | CAS | 121.1° | 119.4° |
| CAX | CAW | CBB | 118.5° | 119.4° |
| CBD | CBC | CBB | 122.0° | 121.0° |
| CBD | CBC | H17 | 119.0° | 119.5° |
| CBC | CBD | H18 | 120.3° | 119.6° |
| CBA | CAS | CAW | 114.9° | 119.7° |
| CBA | CAS | CAR | 120.1° | 120.2° |
| CAS | CBA | H15 | 118.2° | 119.5° |
| CBC | CBB | CAW | 119.0° | 119.6° |
| CBC | CBB | H16 | 120.5° | 120.2° |
| CBB | CBC | H17 | 119.0° | 119.5° |
| CAS | CAW | CBB | 120.4° | 121.3° |
| CAW | CAS | CAR | 124.9° | 120.2° |
| CAW | CBB | H16 | 120.5° | 120.2° |
| CAS | CAR | CAU | 113.1° | 109.5° |
| CAS | CAR | NAQ | 110.2° | 109.5° |
| CAS | CAR | H7 | 108.9° | 109.5° |
| CAR | CAU | CAV | 111.4° | 109.5° |
| CAU | CAR | NAQ | 108.3° | 109.5° |
| CAU | CAR | H7 | 107.8° | 109.5° |
| CAR | CAU | H8 | 109.0° | 109.4° |
| CAR | CAU | H9 | 109.0° | 109.4° |
| CAV | CAU | H8 | 109.0° | 109.5° |
| CAV | CAU | H9 | 109.0° | 109.5° |
| CAU | CAV | H10 | 109.5° | 109.5° |
| CAU | CAV | H11 | 109.5° | 109.5° |
| CAU | CAV | H12 | 109.4° | 109.5° |
| CAR | NAQ | CAP | 120.2° | 120.0° |
| NAQ | CAR | H7 | 108.5° | 109.4° |
| CAR | NAQ | H23 | 119.9° | 120.0° |
| OAO | CAN | OAM | 123.2° | 123.1° |
| OAO | CAN | NAH | 125.2° | 123.1° |
| NAQ | CAP | OAT | 124.0° | 120.0° |
| NAQ | CAP | CAL | 116.1° | 120.0° |
| CAP | NAQ | H23 | 119.9° | 120.0° |
| CAN | OAM | CAL | 110.8° | 109.4° |
| OAM | CAN | NAH | 111.6° | 113.7° |
| OAM | CAL | CAP | 108.6° | 110.6° |
| OAM | CAL | CAK | 104.9° | 104.0° |
| OAM | CAL | H6 | 111.1° | 110.5° |
| CAN | NAH | CAE | 130.3° | 125.5° |
| CAN | NAH | CAK | 110.8° | 108.9° |
| OAT | CAP | CAL | 119.9° | 120.0° |
| CAP | CAL | CAK | 112.3° | 110.5° |
| CAP | CAL | H6 | 110.1° | 110.5° |
| CAL | CAK | NAH | 101.6° | 104.0° |
| CAL | CAK | H4 | 111.4° | 110.6° |
| CAL | CAK | H5 | 111.4° | 110.5° |
| CAK | CAL | H6 | 109.8° | 110.5° |
| CAE | NAH | CAK | 118.9° | 125.6° |
| NAH | CAE | CAF | 121.4° | 120.4° |
| NAH | CAE | CAD | 120.1° | 120.4° |
| NAH | CAK | H4 | 111.4° | 110.6° |
| NAH | CAK | H5 | 111.4° | 110.6° |
| CAE | CAF | CAA | 120.2° | 118.4° |
| CAF | CAE | CAD | 118.4° | 119.2° |
| CAE | CAF | H3 | 119.9° | 120.8° |
| CAF | CAA | CAB | 122.0° | 119.2° |
| CAF | CAA | H1 | 119.0° | 120.4° |
| CAA | CAF | H3 | 119.9° | 120.8° |
| CAE | CAD | NAC | 119.9° | 120.8° |
| CAE | CAD | H2 | 120.0° | 119.6° |
| CAA | CAB | NAC | 117.9° | 120.7° |
| CAA | CAB | CAG | 119.0° | 119.7° |
| CAB | CAA | H1 | 119.0° | 120.4° |
| CAD | NAC | CAB | 121.5° | 121.7° |
| NAC | CAD | H2 | 120.1° | 119.6° |
| NAI | CAG | CAB | 118.4° | 120.0° |
| NAI | CAG | NAJ | 121.4° | 120.0° |
| CAG | NAI | H20 | 112.0° | 120.0° |
| NAC | CAB | CAG | 123.1° | 119.6° |
| CAB | CAG | NAJ | 120.2° | 120.0° |
| CAG | NAJ | H21 | 120.0° | 120.0° |
| CAG | NAJ | H22 | 120.0° | 120.0° |
| H4 | CAK | H5 | 109.5° | 110.5° |
| H8 | CAU | H9 | 109.5° | 109.5° |
| H10 | CAV | H11 | 109.5° | 109.5° |
| H10 | CAV | H12 | 109.5° | 109.5° |
| H11 | CAV | H12 | 109.4° | 109.5° |
| H21 | NAJ | H22 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAZ | CAY | CAX | H13 | 180.0° | 179.7° |
| CAZ | CAY | CAX | CBE | 179.5° | 180.0° |
| CAY | CAZ | CBA | H14 | 180.0° | 179.7° |
| CAZ | CAY | CAX | CAW | 0.5° | 0.0° |
| CAY | CAZ | CBA | CAS | 0.9° | 0.6° |
| CAY | CAZ | CBA | H15 | 179.1° | 180.0° |
| CAY | CAX | CBE | CAW | 179.0° | 180.0° |
| CAY | CAX | CBE | CBD | 179.4° | 180.0° |
| CAX | CAY | CAZ | CBA | 0.1° | 0.3° |
| CAY | CAX | CAW | CAS | 1.7° | 0.0° |
| CAY | CAX | CAW | CBB | 179.6° | 180.0° |
| CAX | CAY | CAZ | H14 | 179.9° | 180.0° |
| CAY | CAX | CBE | H19 | 0.6° | 0.0° |
| CAX | CBE | CBD | H19 | 180.0° | 180.0° |
| CAX | CBE | CBD | CBC | 0.4° | 0.0° |
| CBE | CAX | CAW | CAS | 179.4° | 180.0° |
| CBE | CAX | CAW | CBB | 0.7° | 0.1° |
| CBE | CAX | CAY | H13 | 0.5° | 0.3° |
| CAX | CBE | CBD | H18 | 179.6° | 180.0° |
| CBD | CBE | CAX | CAW | 0.4° | 0.0° |
| CBE | CBD | CBC | H18 | 180.0° | 180.0° |
| CBE | CBD | CBC | CBB | 0.7° | 0.0° |
| CBE | CBD | CBC | H17 | 179.3° | 180.0° |
| CAZ | CBA | CAS | H15 | 180.0° | 179.4° |
| CAZ | CBA | CAS | CAW | 1.9° | 0.6° |
| CAZ | CBA | CAS | CAR | 178.9° | 179.7° |
| CBA | CAZ | CAY | H13 | 179.9° | 180.0° |
| CAX | CAW | CAS | CBA | 2.3° | 0.3° |
| CAX | CAW | CBB | CBC | 1.0° | 0.1° |
| CAX | CAW | CAS | CBB | 178.7° | 179.9° |
| CAX | CAW | CAS | CAR | 179.0° | 179.9° |
| CAW | CAX | CAY | H13 | 179.5° | 179.7° |
| CAX | CAW | CBB | H16 | 179.0° | 180.0° |
| CAW | CAX | CBE | H19 | 179.6° | 180.0° |
| CBD | CBC | CBB | H17 | 180.0° | 180.0° |
| CBD | CBC | CBB | CAW | 1.0° | 0.0° |
| CBD | CBC | CBB | H16 | 179.0° | 179.9° |
| CBC | CBD | CBE | H19 | 179.6° | 179.9° |
| CBA | CAS | CAW | CAR | 176.8° | 179.7° |
| CBA | CAS | CAW | CBB | 179.1° | 179.6° |
| CBA | CAS | CAR | CAU | 94.7° | 93.2° |
| CBA | CAS | CAR | NAQ | 26.6° | 26.8° |
| CBA | CAS | CAR | H7 | 145.5° | 146.8° |
| CAS | CBA | CAZ | H14 | 179.1° | 179.7° |
| CBC | CBB | CAW | CAS | 179.7° | 180.0° |
| CBC | CBB | CAW | H16 | 180.0° | 179.9° |
| CBB | CBC | CBD | H18 | 179.3° | 180.0° |
| CAW | CAS | CAR | CAU | 88.7° | 86.5° |
| CAW | CAS | CAR | NAQ | 150.0° | 153.5° |
| CAW | CAS | CAR | H7 | 31.2° | 33.5° |
| CAW | CAS | CBA | H15 | 178.1° | 180.0° |
| CAS | CAW | CBB | H16 | 0.3° | 0.1° |
| CBB | CAW | CAS | CAR | 2.3° | 0.0° |
| CAW | CBB | CBC | H17 | 179.0° | 180.0° |
| CAS | CAR | CAU | NAQ | 122.4° | 120.0° |
| CAS | CAR | CAU | H7 | 120.4° | 120.0° |
| CAS | CAR | CAU | CAV | 167.0° | 175.0° |
| CAS | CAR | NAQ | H7 | 119.1° | 120.0° |
| CAS | CAR | NAQ | CAP | 66.5° | 85.9° |
| CAS | CAR | CAU | H8 | 72.7° | 65.0° |
| CAS | CAR | CAU | H9 | 46.7° | 55.0° |
| CAR | CAS | CBA | H15 | 1.1° | 0.4° |
| CAS | CAR | NAQ | H23 | 113.5° | 94.2° |
| CAR | CAU | CAV | H8 | 120.3° | 120.0° |
| CAR | CAU | CAV | H9 | 120.3° | 120.0° |
| CAU | CAR | NAQ | H7 | 116.8° | 119.9° |
| CAU | CAR | NAQ | CAP | 169.3° | 154.1° |
| CAR | CAU | H8 | H9 | 119.1° | 120.0° |
| CAR | CAU | CAV | H10 | 180.0° | 60.0° |
| CAR | CAU | CAV | H11 | 60.0° | 60.0° |
| CAR | CAU | CAV | H12 | 60.0° | 180.0° |
| CAU | CAR | NAQ | H23 | 10.7° | 25.9° |
| CAV | CAU | CAR | NAQ | 70.6° | 65.0° |
| CAV | CAU | CAR | H7 | 46.5° | 55.0° |
| CAV | CAU | H8 | H9 | 119.1° | 120.0° |
| CAU | CAV | H10 | H11 | 120.0° | 120.0° |
| CAU | CAV | H10 | H12 | 120.0° | 120.0° |
| CAU | CAV | H11 | H12 | 119.9° | 120.0° |
| CAR | NAQ | CAP | H23 | 180.0° | 179.9° |
| CAR | NAQ | CAP | OAT | 4.0° | 0.1° |
| CAR | NAQ | CAP | CAL | 177.2° | 180.0° |
| NAQ | CAR | CAU | H8 | 49.7° | 55.0° |
| NAQ | CAR | CAU | H9 | 169.1° | 175.0° |
| OAO | CAN | OAM | NAH | 179.6° | 180.0° |
| OAO | CAN | OAM | CAL | 175.1° | 180.0° |
| OAO | CAN | NAH | CAE | 1.8° | 0.0° |
| OAO | CAN | NAH | CAK | 178.5° | 179.9° |
| NAQ | CAP | CAL | OAM | 85.5° | 179.7° |
| NAQ | CAP | OAT | CAL | 178.8° | 179.9° |
| NAQ | CAP | CAL | CAK | 159.0° | 65.1° |
| NAQ | CAP | CAL | H6 | 36.3° | 57.6° |
| CAP | NAQ | CAR | H7 | 52.6° | 34.1° |
| CAN | OAM | CAL | CAP | 114.6° | 118.6° |
| CAN | OAM | CAL | CAK | 5.7° | 0.0° |
| OAM | CAN | NAH | CAE | 178.7° | 180.0° |
| OAM | CAN | NAH | CAK | 1.0° | 0.1° |
| CAN | OAM | CAL | H6 | 124.3° | 118.7° |
| CAL | OAM | CAN | NAH | 4.4° | 0.0° |
| OAM | CAL | CAP | OAT | 95.6° | 0.4° |
| OAM | CAL | CAP | CAK | 115.5° | 114.6° |
| OAM | CAL | CAP | H6 | 121.8° | 122.7° |
| OAM | CAL | CAK | H6 | 119.5° | 118.6° |
| OAM | CAL | CAK | NAH | 4.7° | 0.1° |
| OAM | CAL | CAK | H4 | 114.1° | 118.6° |
| OAM | CAL | CAK | H5 | 123.4° | 118.8° |
| CAN | NAH | CAK | CAL | 2.4° | 0.1° |
| CAN | NAH | CAE | CAK | 179.7° | 180.0° |
| CAN | NAH | CAE | CAF | 3.3° | 0.8° |
| CAN | NAH | CAE | CAD | 176.6° | 180.0° |
| CAN | NAH | CAK | H4 | 116.3° | 118.6° |
| CAN | NAH | CAK | H5 | 121.1° | 118.7° |
| OAT | CAP | CAL | CAK | 19.9° | 115.0° |
| OAT | CAP | CAL | H6 | 142.6° | 122.3° |
| OAT | CAP | NAQ | H23 | 176.1° | 180.0° |
| CAP | CAL | CAK | H6 | 122.8° | 122.7° |
| CAP | CAL | CAK | NAH | 113.1° | 118.7° |
| CAP | CAL | CAK | H4 | 128.2° | 122.7° |
| CAP | CAL | CAK | H5 | 5.7° | 0.0° |
| CAL | CAP | NAQ | H23 | 2.8° | 0.1° |
| CAL | CAK | NAH | CAE | 177.8° | 180.0° |
| CAL | CAK | NAH | H4 | 118.7° | 118.7° |
| CAL | CAK | NAH | H5 | 118.7° | 118.6° |
| CAL | CAK | H4 | H5 | 123.6° | 122.7° |
| NAH | CAE | CAF | CAD | 179.9° | 179.2° |
| NAH | CAE | CAF | CAA | 178.4° | 179.7° |
| NAH | CAE | CAD | NAC | 179.9° | 180.0° |
| NAH | CAE | CAD | H2 | 0.1° | 0.6° |
| NAH | CAE | CAF | H3 | 1.6° | 0.3° |
| CAE | NAH | CAK | H4 | 63.4° | 61.4° |
| CAE | NAH | CAK | H5 | 59.1° | 61.3° |
| CAK | NAH | CAE | CAF | 177.0° | 179.3° |
| CAK | NAH | CAE | CAD | 3.1° | 0.0° |
| NAH | CAK | H4 | H5 | 123.7° | 122.8° |
| NAH | CAK | CAL | H6 | 124.1° | 118.7° |
| CAE | CAF | CAA | H3 | 180.0° | 179.9° |
| CAE | CAF | CAA | CAB | 3.0° | 0.1° |
| CAF | CAE | CAD | NAC | 0.0° | 0.8° |
| CAE | CAF | CAA | H1 | 177.0° | 179.7° |
| CAF | CAE | CAD | H2 | 180.0° | 179.8° |
| CAA | CAF | CAE | CAD | 1.7° | 0.4° |
| CAF | CAA | CAB | H1 | 180.0° | 179.6° |
| CAF | CAA | CAB | NAC | 2.5° | 0.3° |
| CAF | CAA | CAB | CAG | 178.1° | 179.7° |
| CAE | CAD | NAC | H2 | 180.0° | 179.4° |
| CAE | CAD | NAC | CAB | 0.4° | 0.6° |
| CAD | CAE | CAF | H3 | 178.3° | 179.5° |
| CAA | CAB | NAC | CAD | 0.8° | 0.0° |
| CAA | CAB | CAG | NAI | 10.6° | 0.1° |
| CAA | CAB | NAC | CAG | 179.4° | 180.0° |
| CAA | CAB | CAG | NAJ | 170.3° | 180.0° |
| CAB | CAA | CAF | H3 | 177.0° | 180.0° |
| CAD | NAC | CAB | CAG | 179.8° | 180.0° |
| NAI | CAG | CAB | NAC | 168.8° | 180.0° |
| NAI | CAG | CAB | NAJ | 179.1° | 180.0° |
| NAI | CAG | NAJ | H21 | 179.1° | 180.0° |
| NAI | CAG | NAJ | H22 | 0.9° | 0.0° |
| NAC | CAB | CAG | NAJ | 10.3° | 0.0° |
| NAC | CAB | CAA | H1 | 177.5° | 179.9° |
| CAB | NAC | CAD | H2 | 179.6° | 180.0° |
| CAG | CAB | CAA | H1 | 1.9° | 0.1° |
| CAB | CAG | NAI | H20 | 179.1° | 180.0° |
| CAB | CAG | NAJ | H21 | 0.0° | 0.0° |
| CAB | CAG | NAJ | H22 | 180.0° | 180.0° |
| NAJ | CAG | NAI | H20 | 0.0° | 0.0° |
| CAG | NAJ | H21 | H22 | 180.0° | 180.0° |
| H1 | CAA | CAF | H3 | 3.0° | 0.4° |
| H4 | CAK | CAL | H6 | 5.4° | 0.0° |
| H5 | CAK | CAL | H6 | 117.2° | 122.6° |
| H7 | CAR | CAU | H8 | 166.9° | 175.0° |
| H7 | CAR | CAU | H9 | 73.7° | 65.1° |
| H7 | CAR | NAQ | H23 | 127.5° | 145.8° |
| H8 | CAU | CAV | H10 | 59.7° | 180.0° |
| H8 | CAU | CAV | H11 | 179.7° | 60.0° |
| H8 | CAU | CAV | H12 | 60.3° | 60.0° |
| H9 | CAU | CAV | H10 | 59.7° | 60.0° |
| H9 | CAU | CAV | H11 | 60.3° | 180.0° |
| H9 | CAU | CAV | H12 | 179.7° | 60.0° |
| H10 | CAV | H11 | H12 | 120.0° | 120.0° |
| H13 | CAY | CAZ | H14 | 0.2° | 0.3° |
| H14 | CAZ | CBA | H15 | 0.9° | 0.3° |
| H16 | CBB | CBC | H17 | 1.0° | 0.0° |
| H17 | CBC | CBD | H18 | 0.7° | 0.0° |
| H18 | CBD | CBE | H19 | 0.4° | 0.1° |
