27G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAU | sing | 1.51Å | 1.39Å | |
| CAP | OAR | sing | 1.45Å | 1.43Å | |
| CAA | CAM | sing | 1.53Å | 1.53Å | |
| CAU | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| OAC | CAT | doub | 1.21Å | 1.23Å | |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| OAR | CAT | sing | 1.35Å | 1.36Å | |
| CAT | CAW | sing | 1.48Å | 1.39Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAW | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAV | sing | 1.41Å | 1.40Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | OAQ | sing | 1.45Å | 1.44Å | |
| OAQ | CAS | sing | 1.35Å | 1.36Å | |
| CAS | CAV | sing | 1.48Å | 1.39Å | |
| CAS | OAB | doub | 1.21Å | 1.23Å | |
| CAV | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.08Å | 1.08Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å | |
| CAE | H17 | sing | 1.08Å | 1.08Å | |
| CAD | H18 | sing | 1.08Å | 1.08Å | |
| CAF | H19 | sing | 1.08Å | 1.08Å | |
| CAJ | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAJ | CAU | 120.2° | 120.0° |
| CAJ | CAF | CAD | 120.3° | 120.0° |
| CAJ | CAF | H19 | 119.9° | 120.0° |
| CAF | CAJ | H20 | 119.9° | 120.0° |
| CAJ | CAU | CAP | 120.1° | 120.0° |
| CAJ | CAU | CAI | 119.6° | 120.0° |
| CAU | CAJ | H20 | 119.9° | 120.0° |
| CAF | CAD | CAE | 119.5° | 120.0° |
| CAF | CAD | H18 | 120.3° | 120.0° |
| CAD | CAF | H19 | 119.9° | 120.0° |
| CAU | CAP | OAR | 109.7° | 109.5° |
| CAP | CAU | CAI | 120.3° | 120.0° |
| CAU | CAP | H14 | 109.4° | 109.4° |
| CAU | CAP | H15 | 109.4° | 109.5° |
| CAP | OAR | CAT | 108.8° | 117.0° |
| OAR | CAP | H14 | 109.4° | 109.5° |
| OAR | CAP | H15 | 109.4° | 109.5° |
| CAA | CAM | CAN | 109.7° | 109.5° |
| CAM | CAA | H1 | 109.5° | 109.5° |
| CAM | CAA | H2 | 109.5° | 109.5° |
| CAM | CAA | H3 | 109.5° | 109.4° |
| CAA | CAM | H4 | 109.4° | 109.5° |
| CAA | CAM | H5 | 109.4° | 109.4° |
| CAU | CAI | CAE | 120.1° | 120.0° |
| CAU | CAI | H16 | 120.0° | 120.0° |
| OAC | CAT | OAR | 123.9° | 120.0° |
| OAC | CAT | CAW | 120.1° | 120.0° |
| CAD | CAE | CAI | 120.4° | 120.0° |
| CAD | CAE | H17 | 119.8° | 120.0° |
| CAE | CAD | H18 | 120.3° | 120.0° |
| CAE | CAI | H16 | 119.9° | 120.0° |
| CAI | CAE | H17 | 119.8° | 120.0° |
| OAR | CAT | CAW | 115.9° | 120.0° |
| CAT | CAW | CAL | 117.9° | 120.2° |
| CAT | CAW | CAV | 122.2° | 120.2° |
| CAM | CAN | CAO | 110.0° | 109.5° |
| CAN | CAM | H4 | 109.4° | 109.5° |
| CAN | CAM | H5 | 109.4° | 109.5° |
| CAM | CAN | H6 | 109.3° | 109.5° |
| CAM | CAN | H7 | 109.3° | 109.5° |
| CAN | CAO | OAQ | 109.5° | 109.5° |
| CAO | CAN | H6 | 109.4° | 109.5° |
| CAO | CAN | H7 | 109.4° | 109.4° |
| CAN | CAO | H8 | 109.5° | 109.5° |
| CAN | CAO | H9 | 109.5° | 109.4° |
| CAL | CAW | CAV | 119.9° | 119.6° |
| CAW | CAL | CAH | 120.7° | 120.0° |
| CAW | CAL | H13 | 119.7° | 120.0° |
| CAW | CAV | CAS | 122.0° | 120.2° |
| CAW | CAV | CAK | 119.2° | 119.6° |
| CAL | CAH | CAG | 119.6° | 120.5° |
| CAL | CAH | H12 | 120.2° | 119.7° |
| CAH | CAL | H13 | 119.7° | 120.0° |
| CAO | OAQ | CAS | 110.0° | 117.0° |
| OAQ | CAO | H8 | 109.5° | 109.5° |
| OAQ | CAO | H9 | 109.5° | 109.5° |
| OAQ | CAS | CAV | 115.9° | 120.0° |
| OAQ | CAS | OAB | 123.4° | 120.0° |
| CAV | CAS | OAB | 120.8° | 120.0° |
| CAS | CAV | CAK | 118.8° | 120.2° |
| CAV | CAK | CAG | 120.7° | 120.0° |
| CAV | CAK | H10 | 119.6° | 120.0° |
| CAH | CAG | CAK | 120.0° | 120.4° |
| CAH | CAG | H11 | 120.0° | 119.9° |
| CAG | CAH | H12 | 120.2° | 119.8° |
| CAG | CAK | H10 | 119.7° | 120.0° |
| CAK | CAG | H11 | 120.0° | 119.8° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H6 | CAN | H7 | 109.4° | 109.5° |
| H8 | CAO | H9 | 109.4° | 109.5° |
| H14 | CAP | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAJ | CAU | H20 | 180.0° | 179.4° |
| CAJ | CAF | CAD | H19 | 180.0° | 179.8° |
| CAF | CAJ | CAU | CAP | 179.9° | 179.7° |
| CAF | CAJ | CAU | CAI | 0.4° | 0.5° |
| CAJ | CAF | CAD | CAE | 0.2° | 0.3° |
| CAJ | CAF | CAD | H18 | 179.8° | 179.8° |
| CAU | CAJ | CAF | CAD | 0.3° | 0.5° |
| CAJ | CAU | CAP | CAI | 179.7° | 179.7° |
| CAJ | CAU | CAP | OAR | 128.6° | 90.3° |
| CAJ | CAU | CAI | CAE | 0.4° | 0.3° |
| CAJ | CAU | CAP | H14 | 111.3° | 149.7° |
| CAJ | CAU | CAP | H15 | 8.6° | 29.7° |
| CAJ | CAU | CAI | H16 | 179.5° | 179.7° |
| CAU | CAJ | CAF | H19 | 179.7° | 179.7° |
| CAF | CAD | CAE | H18 | 180.0° | 179.9° |
| CAF | CAD | CAE | CAI | 0.2° | 0.0° |
| CAF | CAD | CAE | H17 | 179.8° | 180.0° |
| CAD | CAF | CAJ | H20 | 179.7° | 180.0° |
| CAU | CAP | OAR | H14 | 120.0° | 120.0° |
| CAU | CAP | OAR | H15 | 120.0° | 120.0° |
| CAP | CAU | CAI | CAE | 179.9° | 180.0° |
| CAU | CAP | OAR | CAT | 123.2° | 180.0° |
| CAU | CAP | H14 | H15 | 119.9° | 120.0° |
| CAP | CAU | CAI | H16 | 0.2° | 0.0° |
| CAP | CAU | CAJ | H20 | 0.1° | 0.3° |
| OAR | CAP | CAU | CAI | 51.1° | 90.0° |
| CAP | OAR | CAT | OAC | 10.3° | 0.0° |
| CAP | OAR | CAT | CAW | 168.6° | 179.9° |
| OAR | CAP | H14 | H15 | 119.9° | 120.0° |
| CAA | CAM | CAN | H4 | 120.0° | 120.0° |
| CAA | CAM | CAN | H5 | 120.0° | 120.0° |
| CAA | CAM | CAN | CAO | 145.8° | 180.0° |
| CAM | CAA | H1 | H2 | 120.0° | 120.0° |
| CAM | CAA | H1 | H3 | 120.0° | 120.0° |
| CAM | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAM | H4 | H5 | 119.9° | 120.0° |
| CAA | CAM | CAN | H6 | 25.7° | 60.0° |
| CAA | CAM | CAN | H7 | 94.1° | 60.0° |
| CAU | CAI | CAE | CAD | 0.3° | 0.0° |
| CAU | CAI | CAE | H16 | 180.0° | 180.0° |
| CAI | CAU | CAP | H14 | 69.0° | 30.0° |
| CAI | CAU | CAP | H15 | 171.1° | 150.0° |
| CAU | CAI | CAE | H17 | 179.7° | 180.0° |
| CAI | CAU | CAJ | H20 | 179.6° | 180.0° |
| OAC | CAT | OAR | CAW | 178.9° | 180.0° |
| OAC | CAT | CAW | CAL | 7.7° | 173.8° |
| OAC | CAT | CAW | CAV | 172.1° | 6.7° |
| CAD | CAE | CAI | H17 | 180.0° | 180.0° |
| CAD | CAE | CAI | H16 | 179.7° | 180.0° |
| CAE | CAD | CAF | H19 | 179.8° | 179.9° |
| CAI | CAE | CAD | H18 | 179.8° | 179.9° |
| OAR | CAT | CAW | CAL | 171.2° | 6.3° |
| OAR | CAT | CAW | CAV | 8.9° | 173.2° |
| CAT | OAR | CAP | H14 | 3.2° | 60.1° |
| CAT | OAR | CAP | H15 | 116.8° | 60.0° |
| CAT | CAW | CAL | CAV | 179.9° | 179.5° |
| CAT | CAW | CAL | CAH | 179.8° | 179.9° |
| CAT | CAW | CAV | CAS | 0.4° | 0.2° |
| CAT | CAW | CAV | CAK | 179.8° | 180.0° |
| CAT | CAW | CAL | H13 | 0.2° | 0.2° |
| CAM | CAN | CAO | H6 | 120.1° | 120.0° |
| CAM | CAN | CAO | H7 | 120.1° | 120.0° |
| CAM | CAN | CAO | OAQ | 161.4° | 180.0° |
| CAN | CAM | CAA | H1 | 180.0° | 60.0° |
| CAN | CAM | CAA | H2 | 60.0° | 179.9° |
| CAN | CAM | CAA | H3 | 60.0° | 60.0° |
| CAN | CAM | H4 | H5 | 119.9° | 120.0° |
| CAM | CAN | H6 | H7 | 119.7° | 120.0° |
| CAM | CAN | CAO | H8 | 78.6° | 60.0° |
| CAM | CAN | CAO | H9 | 41.4° | 60.0° |
| CAN | CAO | OAQ | H8 | 120.0° | 120.0° |
| CAN | CAO | OAQ | H9 | 120.0° | 120.0° |
| CAN | CAO | OAQ | CAS | 129.1° | 180.0° |
| CAO | CAN | CAM | H4 | 94.2° | 60.0° |
| CAO | CAN | CAM | H5 | 25.7° | 60.0° |
| CAO | CAN | H6 | H7 | 119.8° | 120.0° |
| CAN | CAO | H8 | H9 | 119.9° | 120.0° |
| CAW | CAL | CAH | H13 | 180.0° | 179.7° |
| CAL | CAW | CAV | CAS | 179.8° | 179.7° |
| CAL | CAW | CAV | CAK | 0.3° | 0.5° |
| CAW | CAL | CAH | CAG | 0.3° | 0.3° |
| CAW | CAL | CAH | H12 | 179.7° | 179.7° |
| CAV | CAW | CAL | CAH | 0.1° | 0.6° |
| CAW | CAV | CAS | OAQ | 83.9° | 125.2° |
| CAW | CAV | CAS | CAK | 179.4° | 179.8° |
| CAW | CAV | CAS | OAB | 98.1° | 54.8° |
| CAW | CAV | CAK | CAG | 0.6° | 0.2° |
| CAW | CAV | CAK | H10 | 179.4° | 179.8° |
| CAV | CAW | CAL | H13 | 179.9° | 179.7° |
| CAL | CAH | CAG | H12 | 180.0° | 180.0° |
| CAL | CAH | CAG | CAK | 0.0° | 0.0° |
| CAL | CAH | CAG | H11 | 180.0° | 180.0° |
| CAO | OAQ | CAS | CAV | 179.6° | 180.0° |
| CAO | OAQ | CAS | OAB | 2.5° | 0.0° |
| OAQ | CAO | CAN | H6 | 41.3° | 60.0° |
| OAQ | CAO | CAN | H7 | 78.5° | 60.0° |
| OAQ | CAO | H8 | H9 | 120.0° | 120.0° |
| OAQ | CAS | CAV | OAB | 178.0° | 180.0° |
| OAQ | CAS | CAV | CAK | 96.7° | 54.5° |
| CAS | OAQ | CAO | H8 | 110.9° | 60.0° |
| CAS | OAQ | CAO | H9 | 9.0° | 60.0° |
| CAS | CAV | CAK | CAG | 180.0° | 180.0° |
| CAS | CAV | CAK | H10 | 0.1° | 0.0° |
| OAB | CAS | CAV | CAK | 81.3° | 125.4° |
| CAV | CAK | CAG | CAH | 0.4° | 0.1° |
| CAV | CAK | CAG | H10 | 180.0° | 180.0° |
| CAV | CAK | CAG | H11 | 179.6° | 180.0° |
| CAH | CAG | CAK | H11 | 180.0° | 179.9° |
| CAH | CAG | CAK | H10 | 179.5° | 179.9° |
| CAG | CAH | CAL | H13 | 179.7° | 180.0° |
| CAK | CAG | CAH | H12 | 180.0° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAM | H4 | 60.0° | 180.0° |
| H1 | CAA | CAM | H5 | 59.9° | 60.0° |
| H2 | CAA | CAM | H4 | 60.0° | 60.1° |
| H2 | CAA | CAM | H5 | 180.0° | 60.0° |
| H3 | CAA | CAM | H4 | 180.0° | 60.0° |
| H3 | CAA | CAM | H5 | 60.1° | 180.0° |
| H4 | CAM | CAN | H6 | 145.7° | 180.0° |
| H4 | CAM | CAN | H7 | 25.9° | 60.0° |
| H5 | CAM | CAN | H6 | 94.4° | 60.0° |
| H5 | CAM | CAN | H7 | 145.8° | 180.0° |
| H6 | CAN | CAO | H8 | 161.3° | 180.0° |
| H6 | CAN | CAO | H9 | 78.7° | 60.0° |
| H7 | CAN | CAO | H8 | 41.5° | 60.0° |
| H7 | CAN | CAO | H9 | 161.4° | 180.0° |
| H10 | CAK | CAG | H11 | 0.5° | 0.0° |
| H11 | CAG | CAH | H12 | 0.0° | 0.0° |
| H12 | CAH | CAL | H13 | 0.3° | 0.0° |
| H16 | CAI | CAE | H17 | 0.3° | 0.0° |
| H17 | CAE | CAD | H18 | 0.1° | 0.1° |
| H18 | CAD | CAF | H19 | 0.2° | 0.0° |
| H19 | CAF | CAJ | H20 | 0.3° | 0.3° |
