AVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | CAO | sing | 1.53Å | 1.55Å | |
| OAE | CAD | doub | 1.21Å | 1.23Å | |
| CAC | CAB | sing | 1.53Å | 1.54Å | |
| CAO | CAP | sing | 1.53Å | 1.57Å | |
| CAO | CAN | sing | 1.51Å | 1.48Å | |
| CAD | CAF | sing | 1.41Å | 1.48Å | |
| CAD | CAB | sing | 1.51Å | 1.50Å | |
| CAN | CAF | sing | 1.41Å | 1.46Å | Aromatic |
| CAN | NAM | doub | 1.31Å | 1.39Å | Aromatic |
| CAF | CAG | doub | 1.41Å | 1.40Å | Aromatic |
| NAM | NAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.53Å | 1.55Å | |
| CAG | NAL | sing | 1.36Å | 1.44Å | Aromatic |
| CAG | CAH | sing | 1.40Å | 1.41Å | Aromatic |
| NAL | CAK | sing | 1.36Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.37Å | 1.35Å | Aromatic |
| CAK | CAJ | doub | 1.35Å | 1.35Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.42Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAQ | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAP | H17 | sing | 1.09Å | 1.10Å | |
| CAP | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAO | CAP | 108.7° | 109.5° |
| CAQ | CAO | CAN | 109.7° | 109.5° |
| CAQ | CAO | H12 | 108.9° | 109.5° |
| CAO | CAQ | H13 | 109.5° | 109.5° |
| CAO | CAQ | H14 | 109.5° | 109.5° |
| CAO | CAQ | H15 | 109.5° | 109.5° |
| OAE | CAD | CAF | 117.6° | 120.0° |
| OAE | CAD | CAB | 117.3° | 120.0° |
| CAC | CAB | CAD | 110.0° | 109.5° |
| CAC | CAB | CAA | 107.5° | 109.5° |
| CAC | CAB | H4 | 110.5° | 109.4° |
| CAB | CAC | H5 | 109.5° | 109.5° |
| CAB | CAC | H6 | 109.5° | 109.5° |
| CAB | CAC | H7 | 109.5° | 109.5° |
| CAP | CAO | CAN | 111.1° | 109.5° |
| CAP | CAO | H12 | 108.6° | 109.5° |
| CAO | CAP | H16 | 109.5° | 109.5° |
| CAO | CAP | H17 | 109.4° | 109.5° |
| CAO | CAP | H18 | 109.5° | 109.5° |
| CAO | CAN | CAF | 131.9° | 125.7° |
| CAO | CAN | NAM | 116.9° | 125.6° |
| CAN | CAO | H12 | 109.8° | 109.4° |
| CAF | CAD | CAB | 125.1° | 120.0° |
| CAD | CAF | CAN | 130.8° | 126.7° |
| CAD | CAF | CAG | 123.3° | 126.7° |
| CAD | CAB | CAA | 107.5° | 109.5° |
| CAD | CAB | H4 | 111.0° | 109.5° |
| CAF | CAN | NAM | 111.2° | 108.7° |
| CAN | CAF | CAG | 105.9° | 106.7° |
| CAN | NAM | NAL | 104.6° | 109.7° |
| CAF | CAG | NAL | 106.4° | 106.9° |
| CAF | CAG | CAH | 135.5° | 132.8° |
| NAM | NAL | CAG | 111.9° | 108.0° |
| NAM | NAL | CAK | 125.4° | 131.9° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.5° | 109.5° |
| CAB | CAA | H3 | 109.5° | 109.5° |
| CAA | CAB | H4 | 110.3° | 109.5° |
| NAL | CAG | CAH | 118.1° | 120.3° |
| CAG | NAL | CAK | 122.7° | 120.0° |
| CAG | CAH | CAI | 118.2° | 119.2° |
| CAG | CAH | H8 | 120.9° | 120.4° |
| NAL | CAK | CAJ | 116.8° | 120.7° |
| NAL | CAK | H11 | 121.6° | 119.6° |
| CAH | CAI | CAJ | 122.6° | 119.3° |
| CAI | CAH | H8 | 120.9° | 120.3° |
| CAH | CAI | H9 | 118.7° | 120.3° |
| CAK | CAJ | CAI | 121.6° | 120.3° |
| CAK | CAJ | H10 | 119.2° | 119.9° |
| CAJ | CAK | H11 | 121.6° | 119.7° |
| CAJ | CAI | H9 | 118.7° | 120.3° |
| CAI | CAJ | H10 | 119.2° | 119.8° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H5 | CAC | H6 | 109.4° | 109.4° |
| H5 | CAC | H7 | 109.5° | 109.5° |
| H6 | CAC | H7 | 109.4° | 109.5° |
| H13 | CAQ | H14 | 109.5° | 109.5° |
| H13 | CAQ | H15 | 109.5° | 109.4° |
| H14 | CAQ | H15 | 109.4° | 109.5° |
| H16 | CAP | H17 | 109.5° | 109.4° |
| H16 | CAP | H18 | 109.5° | 109.5° |
| H17 | CAP | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAO | CAP | CAN | 120.7° | 120.0° |
| CAQ | CAO | CAP | H12 | 118.3° | 120.0° |
| CAQ | CAO | CAN | H12 | 119.7° | 120.0° |
| CAQ | CAO | CAN | CAF | 57.3° | 120.0° |
| CAQ | CAO | CAN | NAM | 120.7° | 59.8° |
| CAO | CAQ | H13 | H14 | 120.0° | 120.0° |
| CAO | CAQ | H13 | H15 | 120.0° | 120.0° |
| CAO | CAQ | H14 | H15 | 120.0° | 120.0° |
| CAQ | CAO | CAP | H16 | 180.0° | 180.0° |
| CAQ | CAO | CAP | H17 | 60.0° | 60.0° |
| CAQ | CAO | CAP | H18 | 60.0° | 59.9° |
| OAE | CAD | CAB | CAC | 71.3° | 26.8° |
| OAE | CAD | CAF | CAB | 178.6° | 180.0° |
| OAE | CAD | CAF | CAN | 128.3° | 95.9° |
| OAE | CAD | CAF | CAG | 49.5° | 84.5° |
| OAE | CAD | CAB | CAA | 45.5° | 93.2° |
| OAE | CAD | CAB | H4 | 166.1° | 146.8° |
| CAC | CAB | CAD | CAF | 110.1° | 153.2° |
| CAC | CAB | CAD | CAA | 116.8° | 120.0° |
| CAC | CAB | CAD | H4 | 122.6° | 119.9° |
| CAC | CAB | CAA | H4 | 120.5° | 120.0° |
| CAC | CAB | CAA | H1 | 180.0° | 60.0° |
| CAC | CAB | CAA | H2 | 60.0° | 180.0° |
| CAC | CAB | CAA | H3 | 60.0° | 60.0° |
| CAB | CAC | H5 | H6 | 120.0° | 120.0° |
| CAB | CAC | H5 | H7 | 120.0° | 120.0° |
| CAB | CAC | H6 | H7 | 120.0° | 120.0° |
| CAP | CAO | CAN | H12 | 120.2° | 120.0° |
| CAP | CAO | CAN | CAF | 177.5° | 120.0° |
| CAP | CAO | CAN | NAM | 0.6° | 60.2° |
| CAP | CAO | CAQ | H13 | 180.0° | 180.0° |
| CAP | CAO | CAQ | H14 | 60.0° | 60.0° |
| CAP | CAO | CAQ | H15 | 60.0° | 60.0° |
| CAO | CAP | H16 | H17 | 120.0° | 120.1° |
| CAO | CAP | H16 | H18 | 120.0° | 120.1° |
| CAO | CAP | H17 | H18 | 120.0° | 120.0° |
| CAO | CAN | CAF | CAD | 0.8° | 0.0° |
| CAO | CAN | CAF | NAM | 178.2° | 179.8° |
| CAO | CAN | CAF | CAG | 178.9° | 179.7° |
| CAO | CAN | NAM | NAL | 179.2° | 179.7° |
| CAN | CAO | CAQ | H13 | 58.4° | 60.0° |
| CAN | CAO | CAQ | H14 | 178.4° | 60.0° |
| CAN | CAO | CAQ | H15 | 61.6° | 180.0° |
| CAN | CAO | CAP | H16 | 59.3° | 60.0° |
| CAN | CAO | CAP | H17 | 60.8° | 180.0° |
| CAN | CAO | CAP | H18 | 179.2° | 60.1° |
| CAD | CAF | CAN | CAG | 178.1° | 179.7° |
| CAD | CAF | CAN | NAM | 177.3° | 179.8° |
| CAF | CAD | CAB | CAA | 133.1° | 86.8° |
| CAD | CAF | CAG | NAL | 177.8° | 180.0° |
| CAD | CAF | CAG | CAH | 1.3° | 0.1° |
| CAF | CAD | CAB | H4 | 12.5° | 33.3° |
| CAB | CAD | CAF | CAN | 53.1° | 84.2° |
| CAB | CAD | CAF | CAG | 129.1° | 95.4° |
| CAD | CAB | CAA | H4 | 121.1° | 120.0° |
| CAD | CAB | CAA | H1 | 61.7° | 180.0° |
| CAD | CAB | CAA | H2 | 178.3° | 60.0° |
| CAD | CAB | CAA | H3 | 58.3° | 60.0° |
| CAD | CAB | CAC | H5 | 180.0° | 60.0° |
| CAD | CAB | CAC | H6 | 60.0° | 60.0° |
| CAD | CAB | CAC | H7 | 60.0° | 180.0° |
| CAF | CAN | NAM | NAL | 0.8° | 0.5° |
| CAN | CAF | CAG | NAL | 0.4° | 0.3° |
| CAN | CAF | CAG | CAH | 179.6° | 179.7° |
| CAF | CAN | CAO | H12 | 62.3° | 0.0° |
| NAM | CAN | CAF | CAG | 0.8° | 0.5° |
| CAN | NAM | NAL | CAG | 0.5° | 0.3° |
| CAN | NAM | NAL | CAK | 179.3° | 179.7° |
| NAM | CAN | CAO | H12 | 119.6° | 179.8° |
| CAF | CAG | NAL | NAM | 0.0° | 0.0° |
| CAF | CAG | NAL | CAH | 179.3° | 180.0° |
| CAF | CAG | NAL | CAK | 179.8° | 179.9° |
| CAF | CAG | CAH | CAI | 179.9° | 180.0° |
| CAF | CAG | CAH | H8 | 0.1° | 0.0° |
| NAM | NAL | CAG | CAK | 179.8° | 179.9° |
| NAM | NAL | CAG | CAH | 179.3° | 180.0° |
| NAM | NAL | CAK | CAJ | 180.0° | 180.0° |
| NAM | NAL | CAK | H11 | 0.0° | 0.0° |
| CAB | CAA | H1 | H2 | 120.0° | 120.0° |
| CAB | CAA | H1 | H3 | 120.0° | 120.1° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAB | CAC | H5 | 63.3° | 60.1° |
| CAA | CAB | CAC | H6 | 176.7° | 180.0° |
| CAA | CAB | CAC | H7 | 56.7° | 60.0° |
| NAL | CAG | CAH | CAI | 1.0° | 0.0° |
| CAG | NAL | CAK | CAJ | 0.3° | 0.1° |
| NAL | CAG | CAH | H8 | 179.0° | 180.0° |
| CAG | NAL | CAK | H11 | 179.7° | 179.9° |
| CAH | CAG | NAL | CAK | 0.9° | 0.0° |
| CAG | CAH | CAI | H8 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.6° | 0.0° |
| CAG | CAH | CAI | H9 | 179.4° | 180.0° |
| NAL | CAK | CAJ | H11 | 180.0° | 180.0° |
| NAL | CAK | CAJ | CAI | 0.2° | 0.1° |
| NAL | CAK | CAJ | H10 | 179.8° | 180.0° |
| CAH | CAI | CAJ | CAK | 0.0° | 0.0° |
| CAH | CAI | CAJ | H9 | 180.0° | 180.0° |
| CAH | CAI | CAJ | H10 | 180.0° | 180.0° |
| CAK | CAJ | CAI | H10 | 180.0° | 180.0° |
| CAK | CAJ | CAI | H9 | 180.0° | 180.0° |
| CAJ | CAI | CAH | H8 | 179.4° | 180.0° |
| CAI | CAJ | CAK | H11 | 179.8° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAB | H4 | 59.5° | 60.0° |
| H2 | CAA | CAB | H4 | 60.6° | 60.0° |
| H3 | CAA | CAB | H4 | 179.4° | 180.0° |
| H4 | CAB | CAC | H5 | 57.1° | 179.9° |
| H4 | CAB | CAC | H6 | 62.9° | 60.0° |
| H4 | CAB | CAC | H7 | 177.1° | 60.0° |
| H5 | CAC | H6 | H7 | 120.0° | 120.0° |
| H8 | CAH | CAI | H9 | 0.6° | 0.0° |
| H9 | CAI | CAJ | H10 | 0.0° | 0.0° |
| H10 | CAJ | CAK | H11 | 0.2° | 0.0° |
| H12 | CAO | CAQ | H13 | 61.8° | 60.0° |
| H12 | CAO | CAQ | H14 | 58.2° | 180.0° |
| H12 | CAO | CAQ | H15 | 178.2° | 60.0° |
| H12 | CAO | CAP | H16 | 61.7° | 60.0° |
| H12 | CAO | CAP | H17 | 178.3° | 60.0° |
| H12 | CAO | CAP | H18 | 58.3° | 180.0° |
| H13 | CAQ | H14 | H15 | 120.0° | 120.0° |
| H16 | CAP | H17 | H18 | 120.0° | 119.9° |
