ORM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAP | sing | 1.51Å | 1.52Å | |
| OAQ | CAP | doub | 1.21Å | 1.26Å | |
| CAP | NAH | sing | 1.35Å | 1.33Å | |
| NAH | CAC | sing | 1.40Å | 1.34Å | |
| CAN | CAM | sing | 1.53Å | 1.54Å | |
| CAC | CAB | doub | 1.39Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.37Å | Aromatic |
| CAO | CAM | sing | 1.53Å | 1.54Å | |
| CAM | NAL | sing | 1.47Å | 1.50Å | |
| CAA | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | SAI | sing | 1.76Å | 1.72Å | |
| CAF | CLA | sing | 1.74Å | 1.57Å | |
| OAJ | SAI | doub | 1.42Å | 1.47Å | |
| NAL | SAI | sing | 1.66Å | 1.68Å | |
| SAI | OAK | doub | 1.42Å | 1.57Å | |
| CAR | H1 | sing | 1.09Å | 1.10Å | |
| CAR | H2 | sing | 1.09Å | 1.10Å | |
| NAH | H4 | sing | 0.97Å | 1.00Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAB | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.08Å | 1.08Å | |
| NAL | H8 | sing | 0.97Å | 1.00Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAR | CL1 | sing | 1.80Å | 1.80Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAP | OAQ | 120.3° | 120.0° |
| CAR | CAP | NAH | 110.9° | 120.0° |
| CAP | CAR | H1 | 108.9° | 109.5° |
| CAP | CAR | H2 | 108.9° | 109.4° |
| CAP | CAR | CL1 | 111.7° | 109.5° |
| OAQ | CAP | NAH | 128.7° | 120.0° |
| CAP | NAH | CAC | 119.8° | 120.0° |
| CAP | NAH | H4 | 120.1° | 120.0° |
| NAH | CAC | CAB | 116.4° | 120.1° |
| NAH | CAC | CAD | 121.4° | 120.0° |
| CAC | NAH | H4 | 120.1° | 120.1° |
| CAN | CAM | CAO | 109.6° | 109.4° |
| CAN | CAM | NAL | 118.1° | 109.4° |
| CAN | CAM | H9 | 106.3° | 109.5° |
| CAM | CAN | H13 | 109.5° | 109.5° |
| CAM | CAN | H14 | 109.5° | 109.5° |
| CAM | CAN | H15 | 109.5° | 109.5° |
| CAB | CAC | CAD | 121.9° | 119.9° |
| CAC | CAB | CAA | 119.1° | 119.9° |
| CAC | CAB | H6 | 120.4° | 120.0° |
| CAC | CAD | CAE | 118.6° | 119.9° |
| CAC | CAD | H5 | 120.7° | 120.1° |
| CAB | CAA | CAF | 119.2° | 120.1° |
| CAA | CAB | H6 | 120.5° | 120.0° |
| CAB | CAA | H7 | 120.4° | 119.9° |
| CAD | CAE | CAF | 119.7° | 120.1° |
| CAD | CAE | SAI | 118.0° | 119.9° |
| CAE | CAD | H5 | 120.7° | 120.0° |
| CAO | CAM | NAL | 109.1° | 109.5° |
| CAO | CAM | H9 | 106.3° | 109.5° |
| CAM | CAO | H10 | 109.5° | 109.5° |
| CAM | CAO | H11 | 109.5° | 109.5° |
| CAM | CAO | H12 | 109.5° | 109.4° |
| CAM | NAL | SAI | 120.0° | 120.0° |
| CAM | NAL | H8 | 106.8° | 120.0° |
| NAL | CAM | H9 | 106.8° | 109.5° |
| CAA | CAF | CAE | 121.3° | 120.1° |
| CAA | CAF | CLA | 116.6° | 120.0° |
| CAF | CAA | H7 | 120.4° | 120.0° |
| CAF | CAE | SAI | 122.3° | 120.0° |
| CAE | CAF | CLA | 122.0° | 119.9° |
| CAE | SAI | OAJ | 113.0° | 106.4° |
| CAE | SAI | NAL | 110.7° | 107.2° |
| CAE | SAI | OAK | 102.4° | 106.4° |
| OAJ | SAI | NAL | 112.6° | 106.4° |
| OAJ | SAI | OAK | 111.8° | 123.2° |
| NAL | SAI | OAK | 105.7° | 106.4° |
| SAI | NAL | H8 | 106.8° | 120.0° |
| H1 | CAR | H2 | 109.5° | 109.5° |
| H1 | CAR | CL1 | 108.9° | 109.5° |
| H2 | CAR | CL1 | 108.9° | 109.5° |
| H10 | CAO | H11 | 109.5° | 109.5° |
| H10 | CAO | H12 | 109.5° | 109.5° |
| H11 | CAO | H12 | 109.5° | 109.5° |
| H13 | CAN | H14 | 109.4° | 109.5° |
| H13 | CAN | H15 | 109.5° | 109.4° |
| H14 | CAN | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAP | OAQ | NAH | 175.3° | 180.0° |
| CAR | CAP | NAH | CAC | 177.6° | 175.0° |
| CAP | CAR | H1 | H2 | 119.0° | 120.0° |
| CAP | CAR | H1 | CL1 | 122.1° | 120.0° |
| CAP | CAR | H2 | CL1 | 122.1° | 120.0° |
| CAR | CAP | NAH | H4 | 2.4° | 4.9° |
| OAQ | CAP | NAH | CAC | 6.7° | 5.0° |
| OAQ | CAP | CAR | H1 | 165.9° | 120.0° |
| OAQ | CAP | CAR | H2 | 46.5° | 120.0° |
| OAQ | CAP | NAH | H4 | 173.3° | 175.0° |
| OAQ | CAP | CAR | CL1 | 73.8° | 0.0° |
| CAP | NAH | CAC | H4 | 180.0° | 180.0° |
| CAP | NAH | CAC | CAB | 153.8° | 35.3° |
| CAP | NAH | CAC | CAD | 31.7° | 144.5° |
| NAH | CAP | CAR | H1 | 10.2° | 60.0° |
| NAH | CAP | CAR | H2 | 129.6° | 60.0° |
| NAH | CAP | CAR | CL1 | 110.1° | 180.0° |
| NAH | CAC | CAB | CAD | 174.4° | 179.8° |
| NAH | CAC | CAB | CAA | 178.0° | 180.0° |
| NAH | CAC | CAD | CAE | 176.7° | 180.0° |
| NAH | CAC | CAD | H5 | 3.3° | 0.0° |
| NAH | CAC | CAB | H6 | 2.1° | 0.0° |
| CAN | CAM | CAO | NAL | 130.7° | 119.9° |
| CAN | CAM | CAO | H9 | 114.5° | 120.0° |
| CAN | CAM | NAL | H9 | 119.6° | 120.0° |
| CAN | CAM | NAL | SAI | 6.9° | 142.1° |
| CAN | CAM | NAL | H8 | 114.6° | 37.9° |
| CAN | CAM | CAO | H10 | 180.0° | 60.0° |
| CAN | CAM | CAO | H11 | 60.0° | 60.0° |
| CAN | CAM | CAO | H12 | 60.0° | 180.0° |
| CAM | CAN | H13 | H14 | 120.0° | 120.0° |
| CAM | CAN | H13 | H15 | 120.0° | 120.0° |
| CAM | CAN | H14 | H15 | 120.0° | 120.1° |
| CAC | CAB | CAA | H6 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 2.5° | 0.3° |
| CAC | CAB | CAA | CAF | 3.7° | 0.1° |
| CAB | CAC | NAH | H4 | 26.2° | 144.7° |
| CAB | CAC | CAD | H5 | 177.5° | 179.8° |
| CAC | CAB | CAA | H7 | 176.3° | 180.0° |
| CAD | CAC | CAB | CAA | 3.5° | 0.3° |
| CAC | CAD | CAE | H5 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 1.7° | 0.0° |
| CAC | CAD | CAE | SAI | 179.0° | 180.0° |
| CAD | CAC | NAH | H4 | 148.3° | 35.5° |
| CAD | CAC | CAB | H6 | 176.5° | 179.7° |
| CAB | CAA | CAF | H7 | 180.0° | 179.9° |
| CAB | CAA | CAF | CAE | 3.0° | 0.2° |
| CAB | CAA | CAF | CLA | 177.9° | 180.0° |
| CAD | CAE | CAF | CAA | 2.0° | 0.2° |
| CAD | CAE | CAF | SAI | 179.2° | 179.9° |
| CAD | CAE | CAF | CLA | 176.6° | 180.0° |
| CAD | CAE | SAI | OAJ | 4.0° | 2.7° |
| CAD | CAE | SAI | NAL | 131.3° | 116.2° |
| CAD | CAE | SAI | OAK | 116.3° | 130.3° |
| CAO | CAM | NAL | H9 | 114.5° | 120.1° |
| CAO | CAM | NAL | SAI | 119.1° | 98.0° |
| CAO | CAM | NAL | H8 | 119.5° | 82.0° |
| CAM | CAO | H10 | H11 | 120.0° | 120.0° |
| CAM | CAO | H10 | H12 | 120.0° | 119.9° |
| CAM | CAO | H11 | H12 | 120.0° | 119.9° |
| CAO | CAM | CAN | H13 | 180.0° | 179.9° |
| CAO | CAM | CAN | H14 | 60.0° | 60.0° |
| CAO | CAM | CAN | H15 | 60.0° | 60.0° |
| CAM | NAL | SAI | CAE | 59.3° | 62.9° |
| CAM | NAL | SAI | OAJ | 68.2° | 50.7° |
| CAM | NAL | SAI | H8 | 121.5° | 180.0° |
| CAM | NAL | SAI | OAK | 169.5° | 176.4° |
| NAL | CAM | CAO | H10 | 49.3° | 60.0° |
| NAL | CAM | CAO | H11 | 169.3° | 180.0° |
| NAL | CAM | CAO | H12 | 70.7° | 60.1° |
| NAL | CAM | CAN | H13 | 54.2° | 60.0° |
| NAL | CAM | CAN | H14 | 65.7° | 180.0° |
| NAL | CAM | CAN | H15 | 174.2° | 59.9° |
| CAA | CAF | CAE | CLA | 174.6° | 179.8° |
| CAA | CAF | CAE | SAI | 178.8° | 179.8° |
| CAF | CAA | CAB | H6 | 176.3° | 180.0° |
| CAF | CAE | SAI | OAJ | 176.7° | 177.4° |
| CAF | CAE | SAI | NAL | 49.4° | 63.9° |
| CAF | CAE | SAI | OAK | 62.9° | 49.7° |
| CAF | CAE | CAD | H5 | 178.3° | 180.0° |
| CAE | CAF | CAA | H7 | 177.0° | 179.8° |
| SAI | CAE | CAF | CLA | 4.2° | 0.0° |
| CAE | SAI | OAJ | NAL | 126.3° | 114.1° |
| CAE | SAI | OAJ | OAK | 114.9° | 123.0° |
| CAE | SAI | NAL | OAK | 110.2° | 113.5° |
| SAI | CAE | CAD | H5 | 1.0° | 0.0° |
| CAE | SAI | NAL | H8 | 179.2° | 117.2° |
| CLA | CAF | CAA | H7 | 2.2° | 0.0° |
| OAJ | SAI | NAL | OAK | 122.3° | 133.0° |
| OAJ | SAI | NAL | H8 | 53.3° | 129.3° |
| SAI | NAL | CAM | H9 | 126.4° | 22.1° |
| OAK | SAI | NAL | H8 | 69.1° | 3.6° |
| H1 | CAR | H2 | CL1 | 119.0° | 120.0° |
| H6 | CAB | CAA | H7 | 3.7° | 0.0° |
| H8 | NAL | CAM | H9 | 5.0° | 157.9° |
| H9 | CAM | CAO | H10 | 65.5° | 180.0° |
| H9 | CAM | CAO | H11 | 54.5° | 60.0° |
| H9 | CAM | CAO | H12 | 174.5° | 60.0° |
| H9 | CAM | CAN | H13 | 65.6° | 60.0° |
| H9 | CAM | CAN | H14 | 174.5° | 60.0° |
| H9 | CAM | CAN | H15 | 54.4° | 179.9° |
| H10 | CAO | H11 | H12 | 120.0° | 120.1° |
| H13 | CAN | H14 | H15 | 120.0° | 119.9° |
