36Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | CAN | doub | 1.21Å | 1.23Å | |
| OAP | CAQ | sing | 1.45Å | 1.43Å | |
| OAP | CAN | sing | 1.35Å | 1.36Å | |
| CAN | CAL | sing | 1.48Å | 1.39Å | |
| CAK | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| NAR | CAJ | sing | 1.40Å | 1.33Å | |
| CAJ | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAC | sing | 1.51Å | 1.53Å | |
| CAI | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAD | sing | 1.48Å | 1.33Å | |
| CAC | CAD | sing | 1.42Å | 1.33Å | Aromatic |
| CAC | NAB | doub | 1.30Å | 1.33Å | Aromatic |
| CAD | CAE | doub | 1.37Å | 1.33Å | Aromatic |
| NAB | OAA | sing | 1.21Å | 1.45Å | Aromatic |
| CAE | CAF | sing | 1.51Å | 1.53Å | |
| CAE | OAA | sing | 1.34Å | 1.36Å | Aromatic |
| CAF | H1 | sing | 1.09Å | 1.10Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| NAR | H9 | sing | 0.97Å | 1.00Å | |
| NAR | H10 | sing | 0.97Å | 1.00Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAQ | H12 | sing | 1.09Å | 1.10Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAO | CAN | OAP | 123.9° | 120.0° |
| OAO | CAN | CAL | 121.0° | 120.0° |
| CAQ | OAP | CAN | 109.5° | 117.0° |
| OAP | CAQ | H12 | 109.5° | 109.5° |
| OAP | CAQ | H13 | 109.5° | 109.4° |
| OAP | CAQ | H14 | 109.5° | 109.4° |
| OAP | CAN | CAL | 115.0° | 120.0° |
| CAN | CAL | CAK | 120.0° | 120.1° |
| CAN | CAL | CAM | 120.0° | 120.0° |
| CAL | CAK | CAJ | 120.0° | 120.0° |
| CAK | CAL | CAM | 120.0° | 119.9° |
| CAL | CAK | H11 | 120.0° | 120.0° |
| CAK | CAJ | NAR | 120.0° | 119.9° |
| CAK | CAJ | CAI | 120.0° | 120.1° |
| CAJ | CAK | H11 | 120.0° | 120.0° |
| CAL | CAM | CAH | 120.0° | 119.8° |
| CAL | CAM | H7 | 120.0° | 120.1° |
| NAR | CAJ | CAI | 120.0° | 120.0° |
| CAJ | NAR | H9 | 109.5° | 120.0° |
| CAJ | NAR | H10 | 109.5° | 120.0° |
| CAJ | CAI | CAH | 120.0° | 120.2° |
| CAJ | CAI | H8 | 120.0° | 119.9° |
| CAM | CAH | CAI | 120.0° | 120.0° |
| CAM | CAH | CAD | 120.0° | 120.0° |
| CAH | CAM | H7 | 120.0° | 120.0° |
| CAG | CAC | CAD | 124.9° | 126.9° |
| CAG | CAC | NAB | 124.9° | 126.8° |
| CAC | CAG | H4 | 109.5° | 109.5° |
| CAC | CAG | H5 | 109.4° | 109.5° |
| CAC | CAG | H6 | 109.5° | 109.4° |
| CAI | CAH | CAD | 120.0° | 120.0° |
| CAH | CAI | H8 | 120.0° | 120.0° |
| CAH | CAD | CAC | 125.3° | 128.2° |
| CAH | CAD | CAE | 125.3° | 128.2° |
| CAD | CAC | NAB | 110.2° | 106.3° |
| CAC | CAD | CAE | 109.4° | 103.7° |
| CAC | NAB | OAA | 105.9° | 111.9° |
| CAD | CAE | CAF | 125.6° | 126.9° |
| CAD | CAE | OAA | 109.6° | 106.3° |
| NAB | OAA | CAE | 104.9° | 111.9° |
| CAF | CAE | OAA | 124.8° | 126.9° |
| CAE | CAF | H1 | 109.5° | 109.5° |
| CAE | CAF | H2 | 109.5° | 109.5° |
| CAE | CAF | H3 | 109.5° | 109.5° |
| H1 | CAF | H2 | 109.5° | 109.4° |
| H1 | CAF | H3 | 109.5° | 109.5° |
| H2 | CAF | H3 | 109.4° | 109.5° |
| H4 | CAG | H5 | 109.5° | 109.5° |
| H4 | CAG | H6 | 109.5° | 109.5° |
| H5 | CAG | H6 | 109.4° | 109.5° |
| H9 | NAR | H10 | 109.4° | 120.0° |
| H12 | CAQ | H13 | 109.5° | 109.5° |
| H12 | CAQ | H14 | 109.4° | 109.5° |
| H13 | CAQ | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | CAN | OAP | CAQ | 45.7° | 0.0° |
| OAO | CAN | OAP | CAL | 180.0° | 180.0° |
| OAO | CAN | CAL | CAK | 22.8° | 180.0° |
| OAO | CAN | CAL | CAM | 157.1° | 0.4° |
| CAQ | OAP | CAN | CAL | 134.3° | 180.0° |
| OAP | CAQ | H12 | H13 | 120.0° | 120.0° |
| OAP | CAQ | H12 | H14 | 120.0° | 119.9° |
| OAP | CAQ | H13 | H14 | 120.0° | 119.9° |
| OAP | CAN | CAL | CAK | 157.1° | 0.0° |
| OAP | CAN | CAL | CAM | 22.9° | 179.6° |
| CAN | OAP | CAQ | H12 | 180.0° | 60.0° |
| CAN | OAP | CAQ | H13 | 60.0° | 180.0° |
| CAN | OAP | CAQ | H14 | 60.0° | 60.0° |
| CAN | CAL | CAK | CAM | 180.0° | 179.6° |
| CAN | CAL | CAK | CAJ | 180.0° | 179.9° |
| CAN | CAL | CAM | CAH | 180.0° | 179.7° |
| CAN | CAL | CAM | H7 | 0.0° | 0.3° |
| CAN | CAL | CAK | H11 | 0.0° | 0.4° |
| CAL | CAK | CAJ | H11 | 180.0° | 179.6° |
| CAL | CAK | CAJ | NAR | 180.0° | 179.7° |
| CAL | CAK | CAJ | CAI | 0.0° | 0.3° |
| CAK | CAL | CAM | CAH | 0.0° | 0.1° |
| CAK | CAL | CAM | H7 | 180.0° | 179.9° |
| CAJ | CAK | CAL | CAM | 0.0° | 0.3° |
| CAK | CAJ | NAR | CAI | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAH | 0.0° | 0.0° |
| CAK | CAJ | CAI | H8 | 180.0° | 180.0° |
| CAK | CAJ | NAR | H9 | 180.0° | 180.0° |
| CAK | CAJ | NAR | H10 | 60.0° | 0.0° |
| CAL | CAM | CAH | H7 | 180.0° | 180.0° |
| CAL | CAM | CAH | CAI | 0.0° | 0.2° |
| CAL | CAM | CAH | CAD | 180.0° | 180.0° |
| CAM | CAL | CAK | H11 | 180.0° | 180.0° |
| NAR | CAJ | CAI | CAH | 179.9° | 180.0° |
| NAR | CAJ | CAI | H8 | 0.0° | 0.0° |
| CAJ | NAR | H9 | H10 | 120.0° | 180.0° |
| NAR | CAJ | CAK | H11 | 0.0° | 0.0° |
| CAJ | CAI | CAH | CAM | 0.0° | 0.3° |
| CAJ | CAI | CAH | H8 | 180.0° | 180.0° |
| CAJ | CAI | CAH | CAD | 180.0° | 180.0° |
| CAI | CAJ | NAR | H9 | 0.0° | 0.0° |
| CAI | CAJ | NAR | H10 | 120.0° | 180.0° |
| CAI | CAJ | CAK | H11 | 180.0° | 180.0° |
| CAM | CAH | CAI | CAD | 180.0° | 179.8° |
| CAM | CAH | CAD | CAC | 45.7° | 115.0° |
| CAM | CAH | CAD | CAE | 134.3° | 65.5° |
| CAM | CAH | CAI | H8 | 180.0° | 179.7° |
| CAG | CAC | CAD | CAH | 0.0° | 0.4° |
| CAG | CAC | CAD | NAB | 180.0° | 179.7° |
| CAG | CAC | CAD | CAE | 180.0° | 179.9° |
| CAG | CAC | NAB | OAA | 180.0° | 179.9° |
| CAC | CAG | H4 | H5 | 120.0° | 120.0° |
| CAC | CAG | H4 | H6 | 120.0° | 120.0° |
| CAC | CAG | H5 | H6 | 120.0° | 119.9° |
| CAI | CAH | CAD | CAC | 134.2° | 65.2° |
| CAI | CAH | CAD | CAE | 45.8° | 114.2° |
| CAI | CAH | CAM | H7 | 180.0° | 179.8° |
| CAH | CAD | CAC | CAE | 180.0° | 179.5° |
| CAH | CAD | CAC | NAB | 180.0° | 179.9° |
| CAH | CAD | CAE | CAF | 0.0° | 0.4° |
| CAH | CAD | CAE | OAA | 180.0° | 179.9° |
| CAD | CAH | CAM | H7 | 0.0° | 0.0° |
| CAD | CAH | CAI | H8 | 0.0° | 0.0° |
| CAD | CAC | NAB | OAA | 0.0° | 0.2° |
| CAC | CAD | CAE | CAF | 180.0° | 179.9° |
| CAC | CAD | CAE | OAA | 0.0° | 0.4° |
| CAD | CAC | CAG | H4 | 180.0° | 90.0° |
| CAD | CAC | CAG | H5 | 60.0° | 150.0° |
| CAD | CAC | CAG | H6 | 59.9° | 30.0° |
| NAB | CAC | CAD | CAE | 0.0° | 0.4° |
| CAC | NAB | OAA | CAE | 0.0° | 0.0° |
| NAB | CAC | CAG | H4 | 0.0° | 90.4° |
| NAB | CAC | CAG | H5 | 120.0° | 29.6° |
| NAB | CAC | CAG | H6 | 120.0° | 149.6° |
| CAD | CAE | OAA | NAB | 0.0° | 0.3° |
| CAD | CAE | CAF | OAA | 180.0° | 179.6° |
| CAD | CAE | CAF | H1 | 180.0° | 179.7° |
| CAD | CAE | CAF | H2 | 60.0° | 60.4° |
| CAD | CAE | CAF | H3 | 60.0° | 59.6° |
| NAB | OAA | CAE | CAF | 180.0° | 180.0° |
| CAE | CAF | H1 | H2 | 120.0° | 120.0° |
| CAE | CAF | H1 | H3 | 120.0° | 120.1° |
| CAE | CAF | H2 | H3 | 120.0° | 120.1° |
| OAA | CAE | CAF | H1 | 0.0° | 0.1° |
| OAA | CAE | CAF | H2 | 120.0° | 120.0° |
| OAA | CAE | CAF | H3 | 120.0° | 120.0° |
| H1 | CAF | H2 | H3 | 120.0° | 120.0° |
| H4 | CAG | H5 | H6 | 120.0° | 120.0° |
| H12 | CAQ | H13 | H14 | 119.9° | 120.1° |
