JL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | NAC | doub | 1.32Å | 1.39Å | Aromatic |
| NAC | CAD | sing | 1.32Å | 1.38Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.51Å | 1.39Å | |
| CAG | NAH | sing | 1.47Å | 1.48Å | |
| NAH | CAI | sing | 1.47Å | 1.43Å | |
| NAH | CAM | sing | 1.47Å | 1.49Å | |
| CAI | CAJ | sing | 1.53Å | 1.46Å | |
| CAJ | NAK | sing | 1.47Å | 1.48Å | |
| CAM | CAL | sing | 1.53Å | 1.46Å | |
| CAL | NAK | sing | 1.47Å | 1.49Å | |
| NAK | CAN | sing | 1.37Å | 1.36Å | |
| CAN | NAT | doub | 1.31Å | 1.35Å | |
| CAN | NAO | sing | 1.36Å | 1.43Å | |
| NAT | CAS | sing | 1.34Å | 1.36Å | |
| CAS | CAU | sing | 1.51Å | 1.42Å | |
| CAS | CAR | doub | 1.36Å | 1.41Å | |
| CAU | CAV | sing | 1.53Å | 1.54Å | |
| CAV | CAW | sing | 1.53Å | 1.54Å | |
| CAW | CAX | sing | 1.53Å | 1.49Å | |
| CAX | CAR | sing | 1.51Å | 1.43Å | |
| CAR | CAP | sing | 1.41Å | 1.42Å | |
| CAP | OAQ | doub | 1.22Å | 1.24Å | |
| CAP | NAO | sing | 1.35Å | 1.40Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| CAV | HAV1 | sing | 1.09Å | 1.10Å | |
| CAV | HAV2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW1 | sing | 1.09Å | 1.10Å | |
| CAW | HAW2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 119.4° | 119.2° |
| CAA | CAB | NAC | 118.7° | 120.8° |
| CAB | CAA | HAA | 120.3° | 120.4° |
| CAA | CAB | HAB | 120.7° | 119.6° |
| CAA | CAF | CAE | 121.1° | 118.4° |
| CAA | CAF | CAG | 118.3° | 120.8° |
| CAF | CAA | HAA | 120.3° | 120.4° |
| CAB | NAC | CAD | 122.7° | 121.7° |
| NAC | CAB | HAB | 120.7° | 119.7° |
| NAC | CAD | CAE | 118.1° | 120.7° |
| NAC | CAD | HAD | 120.9° | 119.6° |
| CAD | CAE | CAF | 120.1° | 119.2° |
| CAE | CAD | HAD | 120.9° | 119.7° |
| CAD | CAE | HAE | 120.0° | 120.4° |
| CAE | CAF | CAG | 120.6° | 120.8° |
| CAF | CAE | HAE | 120.0° | 120.4° |
| CAF | CAG | NAH | 116.4° | 109.5° |
| CAF | CAG | HAG1 | 107.7° | 109.5° |
| CAF | CAG | HAG2 | 107.7° | 109.4° |
| CAG | NAH | CAI | 103.2° | 111.0° |
| CAG | NAH | CAM | 113.2° | 111.0° |
| NAH | CAG | HAG1 | 107.7° | 109.5° |
| NAH | CAG | HAG2 | 107.7° | 109.5° |
| CAI | NAH | CAM | 107.3° | 111.3° |
| NAH | CAI | CAJ | 113.7° | 109.3° |
| NAH | CAI | HAI1 | 108.4° | 109.5° |
| NAH | CAI | HAI2 | 108.4° | 109.5° |
| NAH | CAM | CAL | 108.9° | 109.3° |
| NAH | CAM | HAM1 | 109.6° | 109.5° |
| NAH | CAM | HAM2 | 109.6° | 109.5° |
| CAI | CAJ | NAK | 117.8° | 108.6° |
| CAJ | CAI | HAI1 | 108.4° | 109.5° |
| CAJ | CAI | HAI2 | 108.4° | 109.5° |
| CAI | CAJ | HAJ1 | 107.3° | 109.6° |
| CAI | CAJ | HAJ2 | 107.3° | 109.7° |
| CAJ | NAK | CAL | 116.0° | 118.2° |
| CAJ | NAK | CAN | 119.6° | 120.9° |
| NAK | CAJ | HAJ1 | 107.4° | 109.7° |
| NAK | CAJ | HAJ2 | 107.4° | 109.6° |
| CAM | CAL | NAK | 109.7° | 108.5° |
| CAL | CAM | HAM1 | 109.6° | 109.5° |
| CAL | CAM | HAM2 | 109.6° | 109.5° |
| CAM | CAL | HAL1 | 109.4° | 109.6° |
| CAM | CAL | HAL2 | 109.4° | 109.6° |
| CAL | NAK | CAN | 123.9° | 120.9° |
| NAK | CAL | HAL1 | 109.4° | 109.6° |
| NAK | CAL | HAL2 | 109.4° | 109.6° |
| NAK | CAN | NAT | 119.8° | 119.5° |
| NAK | CAN | NAO | 120.5° | 119.5° |
| NAT | CAN | NAO | 119.6° | 121.0° |
| CAN | NAT | CAS | 122.5° | 122.0° |
| CAN | NAO | CAP | 118.9° | 119.5° |
| CAN | NAO | HAO | 120.5° | 120.3° |
| NAT | CAS | CAU | 116.0° | 117.8° |
| NAT | CAS | CAR | 120.3° | 119.6° |
| CAU | CAS | CAR | 123.7° | 122.7° |
| CAS | CAU | CAV | 109.8° | 110.6° |
| CAS | CAU | HAU1 | 109.4° | 109.3° |
| CAS | CAU | HAU2 | 109.4° | 109.2° |
| CAS | CAR | CAX | 123.0° | 123.0° |
| CAS | CAR | CAP | 118.8° | 118.9° |
| CAU | CAV | CAW | 107.3° | 108.4° |
| CAV | CAU | HAU1 | 109.4° | 109.2° |
| CAV | CAU | HAU2 | 109.4° | 109.2° |
| CAU | CAV | HAV1 | 110.0° | 109.7° |
| CAU | CAV | HAV2 | 110.0° | 109.7° |
| CAV | CAW | CAX | 110.5° | 108.3° |
| CAW | CAV | HAV1 | 110.0° | 109.7° |
| CAW | CAV | HAV2 | 110.0° | 109.7° |
| CAV | CAW | HAW1 | 109.2° | 109.7° |
| CAV | CAW | HAW2 | 109.2° | 109.7° |
| CAW | CAX | CAR | 111.1° | 110.5° |
| CAX | CAW | HAW1 | 109.2° | 109.7° |
| CAX | CAW | HAW2 | 109.2° | 109.6° |
| CAW | CAX | HAX1 | 109.1° | 109.3° |
| CAW | CAX | HAX2 | 109.1° | 109.2° |
| CAX | CAR | CAP | 118.2° | 118.0° |
| CAR | CAX | HAX1 | 109.0° | 109.3° |
| CAR | CAX | HAX2 | 109.0° | 109.2° |
| CAR | CAP | OAQ | 123.4° | 120.5° |
| CAR | CAP | NAO | 119.9° | 119.1° |
| OAQ | CAP | NAO | 116.8° | 120.4° |
| CAP | NAO | HAO | 120.5° | 120.2° |
| HAG1 | CAG | HAG2 | 109.5° | 109.4° |
| HAI1 | CAI | HAI2 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.7° |
| HAL1 | CAL | HAL2 | 109.5° | 109.8° |
| HAU1 | CAU | HAU2 | 109.5° | 109.2° |
| HAV1 | CAV | HAV2 | 109.5° | 109.7° |
| HAW1 | CAW | HAW2 | 109.4° | 109.7° |
| HAX1 | CAX | HAX2 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | HAA | 180.0° | 179.8° |
| CAA | CAB | NAC | HAB | 180.0° | 180.0° |
| CAA | CAB | NAC | CAD | 0.1° | 0.0° |
| CAB | CAA | CAF | CAE | 1.6° | 0.0° |
| CAB | CAA | CAF | CAG | 179.7° | 180.0° |
| CAF | CAA | CAB | NAC | 1.0° | 0.0° |
| CAA | CAF | CAE | CAD | 1.3° | 0.1° |
| CAA | CAF | CAE | CAG | 178.0° | 179.9° |
| CAA | CAF | CAG | NAH | 138.0° | 90.0° |
| CAF | CAA | CAB | HAB | 178.9° | 180.0° |
| CAA | CAF | CAE | HAE | 178.7° | 180.0° |
| CAA | CAF | CAG | HAG1 | 17.0° | 149.9° |
| CAA | CAF | CAG | HAG2 | 101.0° | 30.1° |
| CAB | NAC | CAD | CAE | 0.2° | 0.1° |
| NAC | CAB | CAA | HAA | 178.9° | 179.8° |
| CAB | NAC | CAD | HAD | 179.8° | 180.0° |
| NAC | CAD | CAE | HAD | 180.0° | 179.9° |
| NAC | CAD | CAE | CAF | 0.4° | 0.1° |
| CAD | NAC | CAB | HAB | 179.8° | 180.0° |
| NAC | CAD | CAE | HAE | 179.6° | 179.9° |
| CAD | CAE | CAF | HAE | 180.0° | 179.9° |
| CAD | CAE | CAF | CAG | 179.3° | 180.0° |
| CAE | CAF | CAG | NAH | 44.0° | 90.0° |
| CAE | CAF | CAA | HAA | 178.3° | 179.8° |
| CAF | CAE | CAD | HAD | 179.6° | 180.0° |
| CAE | CAF | CAG | HAG1 | 165.0° | 30.1° |
| CAE | CAF | CAG | HAG2 | 77.0° | 150.0° |
| CAF | CAG | NAH | HAG1 | 121.0° | 120.0° |
| CAF | CAG | NAH | HAG2 | 121.0° | 120.0° |
| CAF | CAG | NAH | CAI | 179.9° | 170.0° |
| CAF | CAG | NAH | CAM | 64.5° | 65.7° |
| CAG | CAF | CAA | HAA | 0.3° | 0.2° |
| CAG | CAF | CAE | HAE | 0.6° | 0.0° |
| CAF | CAG | HAG1 | HAG2 | 116.9° | 119.9° |
| CAG | NAH | CAI | CAM | 119.7° | 124.1° |
| CAG | NAH | CAI | CAJ | 175.3° | 172.8° |
| CAG | NAH | CAM | CAL | 175.8° | 172.7° |
| NAH | CAG | HAG1 | HAG2 | 116.9° | 120.0° |
| CAG | NAH | CAI | HAI1 | 54.7° | 67.3° |
| CAG | NAH | CAI | HAI2 | 64.0° | 52.8° |
| CAG | NAH | CAM | HAM1 | 55.9° | 52.8° |
| CAG | NAH | CAM | HAM2 | 64.3° | 67.3° |
| NAH | CAI | CAJ | HAI1 | 120.6° | 120.0° |
| NAH | CAI | CAJ | HAI2 | 120.6° | 119.9° |
| NAH | CAI | CAJ | NAK | 34.5° | 53.8° |
| CAI | NAH | CAM | CAL | 71.0° | 63.1° |
| CAI | NAH | CAG | HAG1 | 59.1° | 69.9° |
| CAI | NAH | CAG | HAG2 | 58.9° | 50.0° |
| NAH | CAI | HAI1 | HAI2 | 118.0° | 120.1° |
| CAI | NAH | CAM | HAM1 | 169.0° | 176.9° |
| CAI | NAH | CAM | HAM2 | 48.9° | 56.9° |
| NAH | CAI | CAJ | HAJ1 | 155.8° | 173.6° |
| NAH | CAI | CAJ | HAJ2 | 86.7° | 65.9° |
| CAM | NAH | CAI | CAJ | 55.6° | 63.1° |
| NAH | CAM | CAL | HAM1 | 119.9° | 120.0° |
| NAH | CAM | CAL | HAM2 | 119.9° | 119.9° |
| NAH | CAM | CAL | NAK | 61.5° | 53.8° |
| CAM | NAH | CAG | HAG1 | 56.5° | 54.3° |
| CAM | NAH | CAG | HAG2 | 174.5° | 174.3° |
| CAM | NAH | CAI | HAI1 | 65.1° | 56.9° |
| CAM | NAH | CAI | HAI2 | 176.2° | 176.9° |
| NAH | CAM | HAM1 | HAM2 | 120.3° | 120.0° |
| NAH | CAM | CAL | HAL1 | 58.5° | 65.9° |
| NAH | CAM | CAL | HAL2 | 178.4° | 173.5° |
| CAI | CAJ | NAK | HAJ1 | 121.2° | 119.8° |
| CAI | CAJ | NAK | HAJ2 | 121.2° | 119.8° |
| CAI | CAJ | NAK | CAL | 25.5° | 51.2° |
| CAI | CAJ | NAK | CAN | 162.0° | 128.7° |
| CAJ | CAI | HAI1 | HAI2 | 118.1° | 120.1° |
| CAI | CAJ | HAJ1 | HAJ2 | 116.2° | 120.5° |
| CAJ | NAK | CAL | CAM | 38.8° | 51.2° |
| CAJ | NAK | CAL | CAN | 172.0° | 179.9° |
| CAJ | NAK | CAN | NAT | 176.0° | 5.5° |
| CAJ | NAK | CAN | NAO | 0.1° | 174.2° |
| NAK | CAJ | CAI | HAI1 | 86.1° | 66.2° |
| NAK | CAJ | CAI | HAI2 | 155.2° | 173.8° |
| NAK | CAJ | HAJ1 | HAJ2 | 116.3° | 120.4° |
| CAJ | NAK | CAL | HAL1 | 81.3° | 68.5° |
| CAJ | NAK | CAL | HAL2 | 158.8° | 170.9° |
| CAM | CAL | NAK | HAL1 | 120.1° | 119.7° |
| CAM | CAL | NAK | HAL2 | 120.0° | 119.7° |
| CAM | CAL | NAK | CAN | 149.2° | 128.7° |
| CAL | CAM | HAM1 | HAM2 | 120.3° | 120.1° |
| CAM | CAL | HAL1 | HAL2 | 119.9° | 120.5° |
| CAL | NAK | CAN | NAT | 4.3° | 174.4° |
| CAL | NAK | CAN | NAO | 171.9° | 6.0° |
| NAK | CAL | CAM | HAM1 | 178.5° | 173.8° |
| NAK | CAL | CAM | HAM2 | 58.3° | 66.1° |
| CAL | NAK | CAJ | HAJ1 | 146.7° | 170.9° |
| CAL | NAK | CAJ | HAJ2 | 95.6° | 68.6° |
| NAK | CAL | HAL1 | HAL2 | 119.9° | 120.5° |
| NAK | CAN | NAT | NAO | 176.2° | 179.6° |
| NAK | CAN | NAT | CAS | 179.1° | 179.7° |
| NAK | CAN | NAO | CAP | 177.6° | 180.0° |
| CAN | NAK | CAJ | HAJ1 | 40.9° | 9.0° |
| CAN | NAK | CAJ | HAJ2 | 76.8° | 111.5° |
| CAN | NAK | CAL | HAL1 | 90.8° | 111.6° |
| CAN | NAK | CAL | HAL2 | 29.2° | 9.0° |
| NAK | CAN | NAO | HAO | 2.4° | 0.3° |
| CAN | NAT | CAS | CAU | 178.8° | 179.6° |
| CAN | NAT | CAS | CAR | 3.4° | 0.0° |
| NAT | CAN | NAO | CAP | 1.5° | 0.4° |
| NAT | CAN | NAO | HAO | 178.5° | 179.9° |
| NAO | CAN | NAT | CAS | 3.0° | 0.1° |
| CAN | NAO | CAP | CAR | 0.5° | 0.7° |
| CAN | NAO | CAP | OAQ | 179.9° | 179.5° |
| CAN | NAO | CAP | HAO | 180.0° | 179.7° |
| NAT | CAS | CAU | CAR | 177.7° | 179.7° |
| NAT | CAS | CAU | CAV | 162.3° | 162.4° |
| NAT | CAS | CAR | CAX | 178.2° | 179.5° |
| NAT | CAS | CAR | CAP | 2.3° | 0.4° |
| NAT | CAS | CAU | HAU1 | 77.7° | 77.3° |
| NAT | CAS | CAU | HAU2 | 42.2° | 42.2° |
| CAS | CAU | CAV | HAU1 | 120.1° | 120.3° |
| CAS | CAU | CAV | HAU2 | 120.0° | 120.3° |
| CAS | CAU | CAV | CAW | 51.0° | 51.0° |
| CAU | CAS | CAR | CAX | 0.6° | 0.8° |
| CAU | CAS | CAR | CAP | 180.0° | 179.3° |
| CAS | CAU | HAU1 | HAU2 | 119.9° | 119.5° |
| CAS | CAU | CAV | HAV1 | 170.7° | 170.6° |
| CAS | CAU | CAV | HAV2 | 68.7° | 68.8° |
| CAR | CAS | CAU | CAV | 20.0° | 17.9° |
| CAS | CAR | CAX | CAW | 14.4° | 17.6° |
| CAS | CAR | CAX | CAP | 179.5° | 179.9° |
| CAS | CAR | CAP | OAQ | 179.5° | 179.5° |
| CAS | CAR | CAP | NAO | 0.9° | 0.7° |
| CAR | CAS | CAU | HAU1 | 100.1° | 102.4° |
| CAR | CAS | CAU | HAU2 | 140.0° | 138.2° |
| CAS | CAR | CAX | HAX1 | 134.7° | 137.9° |
| CAS | CAR | CAX | HAX2 | 105.9° | 102.6° |
| CAU | CAV | CAW | HAV1 | 119.6° | 119.7° |
| CAU | CAV | CAW | HAV2 | 119.7° | 119.7° |
| CAU | CAV | CAW | CAX | 67.6° | 69.3° |
| CAV | CAU | HAU1 | HAU2 | 119.8° | 119.4° |
| CAU | CAV | HAV1 | HAV2 | 121.0° | 120.5° |
| CAU | CAV | CAW | HAW1 | 52.6° | 50.4° |
| CAU | CAV | CAW | HAW2 | 172.2° | 171.0° |
| CAV | CAW | CAX | HAW1 | 120.2° | 119.8° |
| CAV | CAW | CAX | HAW2 | 120.1° | 119.7° |
| CAV | CAW | CAX | CAR | 47.7° | 50.7° |
| CAW | CAV | CAU | HAU1 | 69.1° | 69.4° |
| CAW | CAV | CAU | HAU2 | 171.0° | 171.2° |
| CAW | CAV | HAV1 | HAV2 | 121.0° | 120.6° |
| CAV | CAW | HAW1 | HAW2 | 119.5° | 120.6° |
| CAV | CAW | CAX | HAX1 | 167.9° | 171.0° |
| CAV | CAW | CAX | HAX2 | 72.6° | 69.6° |
| CAW | CAX | CAR | HAX1 | 120.3° | 120.3° |
| CAW | CAX | CAR | HAX2 | 120.3° | 120.2° |
| CAW | CAX | CAR | CAP | 166.1° | 162.5° |
| CAX | CAW | CAV | HAV1 | 172.7° | 171.0° |
| CAX | CAW | CAV | HAV2 | 52.0° | 50.4° |
| CAX | CAW | HAW1 | HAW2 | 119.5° | 120.5° |
| CAW | CAX | HAX1 | HAX2 | 119.3° | 119.5° |
| CAX | CAR | CAP | OAQ | 0.0° | 0.6° |
| CAX | CAR | CAP | NAO | 179.6° | 179.2° |
| CAR | CAX | CAW | HAW1 | 72.5° | 69.1° |
| CAR | CAX | CAW | HAW2 | 167.8° | 170.4° |
| CAR | CAX | HAX1 | HAX2 | 119.2° | 119.5° |
| CAR | CAP | OAQ | NAO | 179.6° | 179.8° |
| CAR | CAP | NAO | HAO | 179.5° | 179.6° |
| CAP | CAR | CAX | HAX1 | 45.8° | 42.2° |
| CAP | CAR | CAX | HAX2 | 73.6° | 77.3° |
| OAQ | CAP | NAO | HAO | 0.1° | 0.2° |
| HAA | CAA | CAB | HAB | 1.1° | 0.2° |
| HAD | CAD | CAE | HAE | 0.4° | 0.1° |
| HAI1 | CAI | CAJ | HAJ1 | 35.1° | 53.6° |
| HAI1 | CAI | CAJ | HAJ2 | 152.7° | 174.1° |
| HAI2 | CAI | CAJ | HAJ1 | 83.6° | 66.4° |
| HAI2 | CAI | CAJ | HAJ2 | 34.0° | 54.1° |
| HAM1 | CAM | CAL | HAL1 | 61.4° | 54.1° |
| HAM1 | CAM | CAL | HAL2 | 58.5° | 66.5° |
| HAM2 | CAM | CAL | HAL1 | 178.4° | 174.2° |
| HAM2 | CAM | CAL | HAL2 | 61.7° | 53.6° |
| HAU1 | CAU | CAV | HAV1 | 50.6° | 50.3° |
| HAU1 | CAU | CAV | HAV2 | 171.3° | 170.9° |
| HAU2 | CAU | CAV | HAV1 | 69.3° | 69.1° |
| HAU2 | CAU | CAV | HAV2 | 51.4° | 51.5° |
| HAV1 | CAV | CAW | HAW1 | 67.1° | 69.2° |
| HAV1 | CAV | CAW | HAW2 | 52.6° | 51.4° |
| HAV2 | CAV | CAW | HAW1 | 172.2° | 170.1° |
| HAV2 | CAV | CAW | HAW2 | 68.1° | 69.2° |
| HAW1 | CAW | CAX | HAX1 | 47.7° | 51.2° |
| HAW1 | CAW | CAX | HAX2 | 167.2° | 170.7° |
| HAW2 | CAW | CAX | HAX1 | 72.0° | 69.3° |
| HAW2 | CAW | CAX | HAX2 | 47.5° | 50.1° |
