A1D7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAO | sing | 1.51Å | 1.49Å | |
| CAC | CAH | doub | 1.37Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.37Å | Aromatic |
| CAH | CAG | sing | 1.40Å | 1.31Å | Aromatic |
| CAM | CAD | sing | 1.51Å | 1.39Å | |
| CAM | CAN | sing | 1.51Å | 1.56Å | |
| CAO | CAQ | sing | 1.51Å | 1.50Å | |
| CAO | CAN | doub | 1.31Å | 1.55Å | |
| CAD | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAJ | sing | 1.51Å | 1.53Å | |
| CAK | CAL | sing | 1.51Å | 1.53Å | |
| CAG | CAJ | sing | 1.46Å | 1.32Å | Aromatic |
| CAG | CAF | doub | 1.41Å | 1.32Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.34Å | Aromatic |
| CAJ | CAI | doub | 1.34Å | 1.31Å | Aromatic |
| CAF | NAA | sing | 1.38Å | 1.31Å | Aromatic |
| OAR | NAB | sing | 1.42Å | 1.27Å | |
| CAI | NAA | sing | 1.37Å | 1.31Å | Aromatic |
| CAL | NAB | doub | 1.28Å | 1.34Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAQ | H16 | sing | 1.09Å | 1.10Å | |
| CAQ | H17 | sing | 1.09Å | 1.10Å | |
| CAQ | H18 | sing | 1.09Å | 1.10Å | |
| NAA | H19 | sing | 0.97Å | 1.00Å | |
| OAR | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAO | CAQ | 117.1° | 120.0° |
| CAP | CAO | CAN | 117.4° | 120.0° |
| CAO | CAP | H13 | 109.5° | 109.5° |
| CAO | CAP | H14 | 109.4° | 109.5° |
| CAO | CAP | H15 | 109.5° | 109.5° |
| CAH | CAC | CAD | 119.6° | 120.5° |
| CAC | CAH | CAG | 121.6° | 119.7° |
| CAH | CAC | H1 | 120.2° | 119.7° |
| CAC | CAH | H3 | 119.2° | 120.1° |
| CAC | CAD | CAM | 117.2° | 119.7° |
| CAC | CAD | CAE | 116.0° | 120.7° |
| CAD | CAC | H1 | 120.2° | 119.7° |
| CAH | CAG | CAJ | 132.9° | 134.0° |
| CAH | CAG | CAF | 119.6° | 120.0° |
| CAG | CAH | H3 | 119.2° | 120.2° |
| CAD | CAM | CAN | 121.1° | 109.5° |
| CAM | CAD | CAE | 126.8° | 119.7° |
| CAD | CAM | H8 | 106.5° | 109.5° |
| CAD | CAM | H9 | 106.5° | 109.5° |
| CAM | CAN | CAO | 112.9° | 120.0° |
| CAN | CAM | H8 | 106.5° | 109.5° |
| CAN | CAM | H9 | 106.5° | 109.5° |
| CAM | CAN | H10 | 123.6° | 120.1° |
| CAQ | CAO | CAN | 125.5° | 120.0° |
| CAO | CAQ | H16 | 109.5° | 109.5° |
| CAO | CAQ | H17 | 109.5° | 109.5° |
| CAO | CAQ | H18 | 109.4° | 109.5° |
| CAO | CAN | H10 | 123.6° | 119.9° |
| CAD | CAE | CAF | 121.7° | 119.8° |
| CAD | CAE | H2 | 119.2° | 120.1° |
| CAJ | CAK | CAL | 111.6° | 109.5° |
| CAK | CAJ | CAG | 125.7° | 126.5° |
| CAK | CAJ | CAI | 125.2° | 126.5° |
| CAJ | CAK | H5 | 108.9° | 109.4° |
| CAJ | CAK | H6 | 108.9° | 109.4° |
| CAK | CAL | NAB | 119.7° | 120.0° |
| CAL | CAK | H5 | 109.0° | 109.5° |
| CAL | CAK | H6 | 108.9° | 109.5° |
| CAK | CAL | H7 | 120.1° | 120.0° |
| CAJ | CAG | CAF | 107.5° | 106.0° |
| CAG | CAJ | CAI | 109.1° | 107.0° |
| CAG | CAF | CAE | 121.4° | 119.3° |
| CAG | CAF | NAA | 107.1° | 107.2° |
| CAE | CAF | NAA | 131.5° | 133.5° |
| CAF | CAE | H2 | 119.1° | 120.1° |
| CAJ | CAI | NAA | 106.5° | 109.9° |
| CAJ | CAI | H4 | 126.7° | 125.0° |
| CAF | NAA | CAI | 109.8° | 109.9° |
| CAF | NAA | H19 | 125.1° | 125.1° |
| OAR | NAB | CAL | 122.1° | 120.0° |
| NAB | OAR | H20 | 109.5° | 114.0° |
| NAA | CAI | H4 | 126.7° | 125.1° |
| CAI | NAA | H19 | 125.1° | 125.0° |
| NAB | CAL | H7 | 120.2° | 120.0° |
| H5 | CAK | H6 | 109.5° | 109.5° |
| H8 | CAM | H9 | 109.5° | 109.4° |
| H13 | CAP | H14 | 109.5° | 109.5° |
| H13 | CAP | H15 | 109.5° | 109.4° |
| H14 | CAP | H15 | 109.5° | 109.5° |
| H16 | CAQ | H17 | 109.5° | 109.5° |
| H16 | CAQ | H18 | 109.5° | 109.4° |
| H17 | CAQ | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAO | CAN | CAM | 1.5° | 172.4° |
| CAP | CAO | CAQ | CAN | 179.7° | 180.0° |
| CAP | CAO | CAN | H10 | 178.5° | 7.6° |
| CAO | CAP | H13 | H14 | 120.0° | 120.0° |
| CAO | CAP | H13 | H15 | 120.0° | 120.0° |
| CAO | CAP | H14 | H15 | 120.0° | 120.0° |
| CAP | CAO | CAQ | H16 | 180.0° | 174.4° |
| CAP | CAO | CAQ | H17 | 60.0° | 54.4° |
| CAP | CAO | CAQ | H18 | 60.0° | 65.7° |
| CAH | CAC | CAD | H1 | 180.0° | 179.7° |
| CAC | CAH | CAG | H3 | 180.0° | 180.0° |
| CAH | CAC | CAD | CAM | 179.1° | 180.0° |
| CAH | CAC | CAD | CAE | 1.2° | 0.0° |
| CAC | CAH | CAG | CAJ | 179.2° | 179.9° |
| CAC | CAH | CAG | CAF | 0.7° | 0.1° |
| CAD | CAC | CAH | CAG | 1.4° | 0.0° |
| CAC | CAD | CAM | CAE | 177.6° | 180.0° |
| CAC | CAD | CAM | CAN | 160.1° | 90.0° |
| CAC | CAD | CAE | CAF | 0.3° | 0.0° |
| CAC | CAD | CAE | H2 | 179.7° | 179.9° |
| CAD | CAC | CAH | H3 | 178.6° | 180.0° |
| CAC | CAD | CAM | H8 | 78.2° | 150.0° |
| CAC | CAD | CAM | H9 | 38.5° | 30.0° |
| CAH | CAG | CAJ | CAK | 1.9° | 0.1° |
| CAH | CAG | CAJ | CAF | 178.7° | 179.9° |
| CAH | CAG | CAF | CAE | 0.3° | 0.1° |
| CAH | CAG | CAJ | CAI | 179.0° | 179.9° |
| CAH | CAG | CAF | NAA | 178.3° | 180.0° |
| CAG | CAH | CAC | H1 | 178.6° | 179.7° |
| CAD | CAM | CAN | H8 | 121.6° | 120.0° |
| CAD | CAM | CAN | H9 | 121.6° | 120.0° |
| CAD | CAM | CAN | CAO | 137.1° | 127.2° |
| CAM | CAD | CAE | CAF | 178.0° | 180.0° |
| CAM | CAD | CAC | H1 | 0.9° | 0.3° |
| CAM | CAD | CAE | H2 | 2.0° | 0.1° |
| CAD | CAM | H8 | H9 | 114.7° | 120.0° |
| CAD | CAM | CAN | H10 | 42.9° | 52.8° |
| CAM | CAN | CAO | CAQ | 178.2° | 7.6° |
| CAM | CAN | CAO | H10 | 180.0° | 180.0° |
| CAN | CAM | CAD | CAE | 22.2° | 90.0° |
| CAN | CAM | H8 | H9 | 114.8° | 120.0° |
| CAQ | CAO | CAN | H10 | 1.8° | 172.4° |
| CAQ | CAO | CAP | H13 | 180.0° | 90.0° |
| CAQ | CAO | CAP | H14 | 60.0° | 150.0° |
| CAQ | CAO | CAP | H15 | 60.0° | 30.0° |
| CAO | CAQ | H16 | H17 | 120.0° | 120.0° |
| CAO | CAQ | H16 | H18 | 120.0° | 120.0° |
| CAO | CAQ | H17 | H18 | 120.0° | 120.1° |
| CAO | CAN | CAM | H8 | 15.5° | 7.2° |
| CAO | CAN | CAM | H9 | 101.3° | 112.8° |
| CAN | CAO | CAP | H13 | 0.3° | 90.0° |
| CAN | CAO | CAP | H14 | 119.7° | 30.0° |
| CAN | CAO | CAP | H15 | 120.3° | 150.0° |
| CAN | CAO | CAQ | H16 | 0.3° | 5.6° |
| CAN | CAO | CAQ | H17 | 120.3° | 125.6° |
| CAN | CAO | CAQ | H18 | 119.7° | 114.4° |
| CAD | CAE | CAF | CAG | 0.4° | 0.1° |
| CAD | CAE | CAF | H2 | 180.0° | 179.9° |
| CAD | CAE | CAF | NAA | 178.0° | 180.0° |
| CAE | CAD | CAC | H1 | 178.8° | 179.7° |
| CAE | CAD | CAM | H8 | 99.4° | 30.0° |
| CAE | CAD | CAM | H9 | 143.8° | 150.0° |
| CAJ | CAK | CAL | H5 | 120.3° | 120.0° |
| CAJ | CAK | CAL | H6 | 120.3° | 120.0° |
| CAK | CAJ | CAG | CAI | 179.0° | 180.0° |
| CAK | CAJ | CAG | CAF | 179.4° | 180.0° |
| CAK | CAJ | CAI | NAA | 179.8° | 179.9° |
| CAJ | CAK | CAL | NAB | 141.1° | 125.0° |
| CAK | CAJ | CAI | H4 | 0.2° | 0.0° |
| CAJ | CAK | H5 | H6 | 119.0° | 120.0° |
| CAJ | CAK | CAL | H7 | 38.9° | 55.0° |
| CAL | CAK | CAJ | CAG | 102.7° | 85.0° |
| CAL | CAK | CAJ | CAI | 78.4° | 95.0° |
| CAK | CAL | NAB | OAR | 1.1° | 0.1° |
| CAK | CAL | NAB | H7 | 180.0° | 179.9° |
| CAL | CAK | H5 | H6 | 119.0° | 120.1° |
| CAJ | CAG | CAF | CAE | 178.6° | 180.0° |
| CAJ | CAG | CAF | NAA | 0.6° | 0.1° |
| CAG | CAJ | CAI | NAA | 1.1° | 0.0° |
| CAJ | CAG | CAH | H3 | 0.8° | 0.1° |
| CAG | CAJ | CAI | H4 | 178.9° | 179.9° |
| CAG | CAJ | CAK | H5 | 17.7° | 155.0° |
| CAG | CAJ | CAK | H6 | 137.0° | 35.0° |
| CAG | CAF | CAE | NAA | 177.5° | 179.9° |
| CAF | CAG | CAJ | CAI | 0.3° | 0.0° |
| CAG | CAF | NAA | CAI | 1.3° | 0.1° |
| CAG | CAF | CAE | H2 | 179.6° | 180.0° |
| CAF | CAG | CAH | H3 | 179.3° | 180.0° |
| CAG | CAF | NAA | H19 | 178.8° | 180.0° |
| CAE | CAF | NAA | CAI | 179.1° | 180.0° |
| CAE | CAF | NAA | H19 | 1.0° | 0.1° |
| CAJ | CAI | NAA | CAF | 1.5° | 0.1° |
| CAJ | CAI | NAA | H4 | 180.0° | 179.9° |
| CAI | CAJ | CAK | H5 | 161.2° | 25.0° |
| CAI | CAJ | CAK | H6 | 41.9° | 145.0° |
| CAJ | CAI | NAA | H19 | 178.6° | 180.0° |
| CAF | NAA | CAI | H19 | 180.0° | 179.9° |
| NAA | CAF | CAE | H2 | 2.0° | 0.2° |
| CAF | NAA | CAI | H4 | 178.5° | 180.0° |
| OAR | NAB | CAL | H7 | 178.9° | 180.0° |
| NAB | CAL | CAK | H5 | 98.5° | 5.0° |
| NAB | CAL | CAK | H6 | 20.8° | 115.1° |
| CAL | NAB | OAR | H20 | 180.0° | 179.9° |
| H1 | CAC | CAH | H3 | 1.4° | 0.3° |
| H4 | CAI | NAA | H19 | 1.4° | 0.1° |
| H5 | CAK | CAL | H7 | 81.5° | 174.9° |
| H6 | CAK | CAL | H7 | 159.2° | 65.0° |
| H8 | CAM | CAN | H10 | 164.5° | 172.8° |
| H9 | CAM | CAN | H10 | 78.7° | 67.2° |
| H13 | CAP | H14 | H15 | 120.0° | 120.0° |
| H16 | CAQ | H17 | H18 | 120.0° | 119.9° |
