H50
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | CAP | sing | 1.74Å | 1.73Å | |
| CAP | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CL1 | CAQ | sing | 1.74Å | 1.67Å | |
| CAQ | CAK | sing | 1.38Å | 1.37Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAR | doub | 1.39Å | 1.36Å | Aromatic |
| CAG | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAR | CAT | sing | 1.48Å | 1.39Å | |
| CAT | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAT | CAO | sing | 1.40Å | 1.38Å | Aromatic |
| FAC | CAO | sing | 1.35Å | 1.37Å | |
| CAI | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAO | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAS | sing | 1.38Å | 1.37Å | Aromatic |
| CAS | CAU | sing | 1.51Å | 1.54Å | |
| CAU | CAL | sing | 1.53Å | 1.53Å | |
| CAU | CAM | sing | 1.53Å | 1.52Å | |
| CAU | CAN | sing | 1.51Å | 1.55Å | |
| OAB | CAN | doub | 1.21Å | 1.27Å | |
| CAL | CAM | sing | 1.53Å | 1.52Å | |
| CAN | OAA | sing | 1.34Å | 1.25Å | |
| CAL | H1 | sing | 1.09Å | 1.10Å | |
| CAL | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| OAA | H5 | sing | 0.97Å | 0.95Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | CAP | CAQ | 121.0° | 119.9° |
| CL2 | CAP | CAF | 124.0° | 119.9° |
| CAQ | CAP | CAF | 115.1° | 120.2° |
| CAP | CAQ | CL1 | 121.0° | 120.0° |
| CAP | CAQ | CAK | 127.1° | 120.1° |
| CAP | CAF | CAG | 118.4° | 120.1° |
| CAP | CAF | H10 | 120.8° | 120.0° |
| CL1 | CAQ | CAK | 111.9° | 119.9° |
| CAQ | CAK | CAR | 118.0° | 119.8° |
| CAQ | CAK | H9 | 121.0° | 120.1° |
| CAF | CAG | CAR | 123.9° | 119.9° |
| CAG | CAF | H10 | 120.8° | 119.9° |
| CAF | CAG | H11 | 118.1° | 120.0° |
| CAK | CAR | CAG | 117.6° | 119.8° |
| CAK | CAR | CAT | 120.2° | 120.1° |
| CAR | CAK | H9 | 121.0° | 120.1° |
| CAG | CAR | CAT | 122.2° | 120.0° |
| CAR | CAG | H11 | 118.0° | 120.1° |
| CAR | CAT | CAI | 124.0° | 120.1° |
| CAR | CAT | CAO | 116.5° | 120.1° |
| CAI | CAT | CAO | 119.5° | 119.8° |
| CAT | CAI | CAH | 121.7° | 119.9° |
| CAT | CAI | H8 | 119.1° | 120.1° |
| CAT | CAO | FAC | 120.1° | 120.1° |
| CAT | CAO | CAJ | 118.0° | 119.8° |
| FAC | CAO | CAJ | 121.8° | 120.1° |
| CAI | CAH | CAS | 118.0° | 120.2° |
| CAI | CAH | H7 | 121.0° | 119.9° |
| CAH | CAI | H8 | 119.2° | 120.0° |
| CAO | CAJ | CAS | 124.3° | 120.1° |
| CAO | CAJ | H6 | 117.9° | 119.9° |
| CAH | CAS | CAJ | 118.6° | 120.3° |
| CAH | CAS | CAU | 127.0° | 119.8° |
| CAS | CAH | H7 | 121.0° | 119.9° |
| CAJ | CAS | CAU | 114.3° | 119.9° |
| CAS | CAJ | H6 | 117.9° | 120.0° |
| CAS | CAU | CAL | 107.3° | 117.5° |
| CAS | CAU | CAM | 120.8° | 117.5° |
| CAS | CAU | CAN | 118.8° | 115.5° |
| CAL | CAU | CAM | 59.8° | 60.0° |
| CAL | CAU | CAN | 111.5° | 117.5° |
| CAU | CAL | CAM | 59.8° | 60.0° |
| CAU | CAL | H1 | 120.0° | 117.5° |
| CAU | CAL | H2 | 120.0° | 117.5° |
| CAM | CAU | CAN | 119.3° | 117.5° |
| CAU | CAM | CAL | 60.4° | 60.0° |
| CAU | CAM | H3 | 119.9° | 117.5° |
| CAU | CAM | H4 | 119.9° | 117.5° |
| CAU | CAN | OAB | 118.3° | 120.0° |
| CAU | CAN | OAA | 115.8° | 120.0° |
| OAB | CAN | OAA | 125.8° | 120.0° |
| CAM | CAL | H1 | 120.0° | 117.5° |
| CAM | CAL | H2 | 120.1° | 117.5° |
| CAL | CAM | H3 | 119.9° | 117.5° |
| CAL | CAM | H4 | 119.9° | 117.5° |
| CAN | OAA | H5 | 109.5° | 117.0° |
| H1 | CAL | H2 | 109.5° | 115.5° |
| H3 | CAM | H4 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | CAP | CAQ | CAF | 179.8° | 180.0° |
| CL2 | CAP | CAQ | CL1 | 3.7° | 0.1° |
| CL2 | CAP | CAQ | CAK | 179.3° | 180.0° |
| CL2 | CAP | CAF | CAG | 179.2° | 179.7° |
| CL2 | CAP | CAF | H10 | 0.8° | 0.1° |
| CAP | CAQ | CL1 | CAK | 177.4° | 179.9° |
| CAQ | CAP | CAF | CAG | 0.6° | 0.3° |
| CAP | CAQ | CAK | CAR | 0.8° | 0.1° |
| CAP | CAQ | CAK | H9 | 179.1° | 180.0° |
| CAQ | CAP | CAF | H10 | 179.4° | 180.0° |
| CAF | CAP | CAQ | CL1 | 176.5° | 180.0° |
| CAF | CAP | CAQ | CAK | 0.5° | 0.1° |
| CAP | CAF | CAG | H10 | 180.0° | 179.7° |
| CAP | CAF | CAG | CAR | 1.3° | 0.6° |
| CAP | CAF | CAG | H11 | 178.7° | 180.0° |
| CL1 | CAQ | CAK | CAR | 176.4° | 180.0° |
| CL1 | CAQ | CAK | H9 | 3.7° | 0.1° |
| CAQ | CAK | CAR | H9 | 180.0° | 179.9° |
| CAQ | CAK | CAR | CAG | 1.3° | 0.4° |
| CAQ | CAK | CAR | CAT | 179.7° | 180.0° |
| CAF | CAG | CAR | CAK | 1.6° | 0.6° |
| CAF | CAG | CAR | H11 | 180.0° | 179.5° |
| CAF | CAG | CAR | CAT | 180.0° | 179.8° |
| CAK | CAR | CAG | CAT | 178.4° | 179.6° |
| CAK | CAR | CAT | CAI | 46.7° | 130.0° |
| CAK | CAR | CAT | CAO | 133.4° | 50.2° |
| CAK | CAR | CAG | H11 | 178.4° | 179.9° |
| CAG | CAR | CAT | CAI | 131.6° | 50.4° |
| CAG | CAR | CAT | CAO | 48.2° | 129.4° |
| CAG | CAR | CAK | H9 | 178.7° | 179.7° |
| CAR | CAG | CAF | H10 | 178.8° | 179.8° |
| CAR | CAT | CAI | CAO | 179.9° | 179.8° |
| CAR | CAT | CAO | FAC | 1.9° | 0.1° |
| CAR | CAT | CAI | CAH | 178.7° | 179.9° |
| CAR | CAT | CAO | CAJ | 179.6° | 180.0° |
| CAR | CAT | CAI | H8 | 1.3° | 0.0° |
| CAT | CAR | CAK | H9 | 0.3° | 0.1° |
| CAT | CAR | CAG | H11 | 0.0° | 0.3° |
| CAI | CAT | CAO | FAC | 178.2° | 179.7° |
| CAT | CAI | CAH | H8 | 180.0° | 180.0° |
| CAI | CAT | CAO | CAJ | 0.2° | 0.2° |
| CAT | CAI | CAH | CAS | 0.7° | 0.1° |
| CAT | CAI | CAH | H7 | 179.3° | 180.0° |
| CAT | CAO | FAC | CAJ | 178.4° | 180.0° |
| CAO | CAT | CAI | CAH | 1.1° | 0.3° |
| CAT | CAO | CAJ | CAS | 1.2° | 0.1° |
| CAT | CAO | CAJ | H6 | 178.8° | 180.0° |
| CAO | CAT | CAI | H8 | 178.9° | 179.8° |
| FAC | CAO | CAJ | CAS | 179.6° | 180.0° |
| FAC | CAO | CAJ | H6 | 0.4° | 0.1° |
| CAI | CAH | CAS | H7 | 180.0° | 180.0° |
| CAI | CAH | CAS | CAJ | 0.7° | 0.2° |
| CAI | CAH | CAS | CAU | 180.0° | 179.9° |
| CAO | CAJ | CAS | CAH | 1.6° | 0.3° |
| CAO | CAJ | CAS | H6 | 180.0° | 179.9° |
| CAO | CAJ | CAS | CAU | 179.0° | 180.0° |
| CAH | CAS | CAJ | CAU | 179.4° | 179.7° |
| CAH | CAS | CAU | CAL | 125.5° | 0.3° |
| CAH | CAS | CAU | CAM | 60.8° | 68.4° |
| CAH | CAS | CAU | CAN | 106.9° | 146.0° |
| CAH | CAS | CAJ | H6 | 178.4° | 179.8° |
| CAS | CAH | CAI | H8 | 179.3° | 180.0° |
| CAJ | CAS | CAU | CAL | 55.1° | 180.0° |
| CAJ | CAS | CAU | CAM | 119.9° | 111.3° |
| CAJ | CAS | CAU | CAN | 72.4° | 34.3° |
| CAJ | CAS | CAH | H7 | 179.4° | 179.7° |
| CAS | CAU | CAL | CAM | 116.0° | 107.5° |
| CAS | CAU | CAL | CAN | 131.7° | 145.0° |
| CAS | CAU | CAM | CAN | 167.6° | 145.0° |
| CAS | CAU | CAN | OAB | 0.4° | 145.7° |
| CAS | CAU | CAN | OAA | 175.3° | 34.3° |
| CAS | CAU | CAL | H1 | 134.5° | 0.0° |
| CAS | CAU | CAL | H2 | 6.6° | 145.0° |
| CAS | CAU | CAM | H3 | 16.5° | 145.0° |
| CAS | CAU | CAM | H4 | 157.3° | 0.0° |
| CAU | CAS | CAJ | H6 | 1.0° | 0.1° |
| CAU | CAS | CAH | H7 | 0.0° | 0.0° |
| CAL | CAU | CAM | CAN | 99.3° | 107.5° |
| CAL | CAU | CAN | OAB | 125.1° | 0.1° |
| CAU | CAL | CAM | H1 | 109.4° | 107.5° |
| CAU | CAL | CAM | H2 | 109.4° | 107.5° |
| CAL | CAU | CAN | OAA | 59.1° | 180.0° |
| CAU | CAL | H1 | H2 | 144.8° | 145.7° |
| CAL | CAU | CAM | H3 | 109.6° | 107.5° |
| CAL | CAU | CAM | H4 | 109.6° | 107.5° |
| CAM | CAU | CAN | OAB | 168.3° | 68.6° |
| CAM | CAU | CAN | OAA | 7.4° | 111.3° |
| CAU | CAM | H3 | H4 | 144.5° | 145.7° |
| CAU | CAN | OAB | OAA | 175.3° | 179.9° |
| CAN | CAU | CAL | H1 | 2.8° | 145.0° |
| CAN | CAU | CAL | H2 | 138.3° | 0.0° |
| CAN | CAU | CAM | H3 | 151.2° | 0.0° |
| CAN | CAU | CAM | H4 | 10.3° | 145.0° |
| CAU | CAN | OAA | H5 | 175.4° | 180.0° |
| OAB | CAN | OAA | H5 | 0.0° | 0.1° |
| CAM | CAL | H1 | H2 | 144.9° | 145.6° |
| CAL | CAM | H3 | H4 | 144.5° | 145.7° |
| H1 | CAL | CAM | H3 | 141.0° | 145.0° |
| H1 | CAL | CAM | H4 | 0.2° | 0.0° |
| H2 | CAL | CAM | H3 | 0.2° | 0.0° |
| H2 | CAL | CAM | H4 | 141.0° | 145.0° |
| H7 | CAH | CAI | H8 | 0.7° | 0.0° |
| H10 | CAF | CAG | H11 | 1.3° | 0.3° |
