EB5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAT | sing | 1.53Å | 1.50Å | |
| NAS | CAT | sing | 1.47Å | 1.48Å | |
| NAS | SAP | sing | 1.66Å | 1.80Å | |
| OAR | SAP | doub | 1.42Å | 1.55Å | |
| CAH | CAG | doub | 1.37Å | 1.41Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.43Å | Aromatic |
| CAG | CAD | sing | 1.41Å | 1.40Å | Aromatic |
| SAP | OAQ | doub | 1.42Å | 1.57Å | |
| SAP | CAC | sing | 1.76Å | 1.84Å | |
| CAI | CAJ | doub | 1.38Å | 1.34Å | Aromatic |
| CAD | CAC | doub | 1.41Å | 1.43Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.37Å | Aromatic |
| CAC | CAB | sing | 1.37Å | 1.41Å | Aromatic |
| CAJ | CAE | sing | 1.40Å | 1.35Å | Aromatic |
| CAJ | CAL | sing | 1.47Å | 1.37Å | |
| CAE | CAF | doub | 1.39Å | 1.35Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.42Å | Aromatic |
| CAL | OAO | doub | 1.22Å | 1.23Å | |
| CAL | NAK | sing | 1.36Å | 1.34Å | |
| CAF | CAA | sing | 1.38Å | 1.36Å | Aromatic |
| CAF | NAK | sing | 1.39Å | 1.35Å | |
| NAK | CAM | sing | 1.47Å | 1.45Å | |
| CAN | CAM | sing | 1.53Å | 1.53Å | |
| CAU | H1 | sing | 1.09Å | 1.10Å | |
| CAU | H2 | sing | 1.09Å | 1.10Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAT | H4 | sing | 1.09Å | 1.10Å | |
| CAT | H5 | sing | 1.09Å | 1.10Å | |
| NAS | H6 | sing | 0.97Å | 1.00Å | |
| CAB | H7 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAT | NAS | 104.9° | 109.5° |
| CAT | CAU | H1 | 109.5° | 109.5° |
| CAT | CAU | H2 | 109.5° | 109.5° |
| CAT | CAU | H3 | 109.5° | 109.5° |
| CAU | CAT | H4 | 110.6° | 109.5° |
| CAU | CAT | H5 | 110.6° | 109.5° |
| CAT | NAS | SAP | 117.1° | 120.0° |
| NAS | CAT | H4 | 110.6° | 109.4° |
| NAS | CAT | H5 | 110.6° | 109.5° |
| CAT | NAS | H6 | 107.5° | 120.0° |
| NAS | SAP | OAR | 106.3° | 106.4° |
| NAS | SAP | OAQ | 116.0° | 106.4° |
| NAS | SAP | CAC | 100.8° | 107.3° |
| SAP | NAS | H6 | 107.6° | 120.1° |
| OAR | SAP | OAQ | 114.2° | 123.1° |
| OAR | SAP | CAC | 111.9° | 106.4° |
| CAG | CAH | CAI | 119.8° | 123.1° |
| CAH | CAG | CAD | 117.6° | 118.9° |
| CAH | CAG | H9 | 121.2° | 120.6° |
| CAG | CAH | H10 | 120.1° | 118.4° |
| CAH | CAI | CAJ | 120.9° | 119.8° |
| CAI | CAH | H10 | 120.1° | 118.4° |
| CAH | CAI | H11 | 119.5° | 120.1° |
| CAG | CAD | CAC | 124.8° | 125.8° |
| CAG | CAD | CAE | 118.3° | 117.2° |
| CAD | CAG | H9 | 121.2° | 120.5° |
| OAQ | SAP | CAC | 107.0° | 106.4° |
| SAP | CAC | CAD | 122.9° | 120.8° |
| SAP | CAC | CAB | 117.3° | 120.8° |
| CAI | CAJ | CAE | 117.6° | 116.7° |
| CAI | CAJ | CAL | 137.2° | 139.1° |
| CAJ | CAI | H11 | 119.5° | 120.1° |
| CAC | CAD | CAE | 116.9° | 117.0° |
| CAD | CAC | CAB | 119.6° | 118.5° |
| CAD | CAE | CAJ | 125.8° | 124.3° |
| CAD | CAE | CAF | 124.5° | 125.1° |
| CAC | CAB | CAA | 119.1° | 123.3° |
| CAC | CAB | H7 | 120.5° | 118.4° |
| CAE | CAJ | CAL | 105.1° | 104.2° |
| CAJ | CAE | CAF | 109.7° | 110.6° |
| CAJ | CAL | OAO | 126.7° | 126.0° |
| CAJ | CAL | NAK | 110.3° | 108.0° |
| CAE | CAF | CAA | 119.8° | 116.1° |
| CAE | CAF | NAK | 107.9° | 106.9° |
| CAB | CAA | CAF | 120.1° | 119.9° |
| CAA | CAB | H7 | 120.5° | 118.3° |
| CAB | CAA | H8 | 120.0° | 120.0° |
| OAO | CAL | NAK | 122.5° | 126.0° |
| CAL | NAK | CAF | 107.0° | 110.3° |
| CAL | NAK | CAM | 127.9° | 124.8° |
| CAA | CAF | NAK | 132.3° | 137.0° |
| CAF | CAA | H8 | 120.0° | 120.0° |
| CAF | NAK | CAM | 124.9° | 124.8° |
| NAK | CAM | CAN | 111.7° | 109.5° |
| NAK | CAM | H12 | 108.9° | 109.5° |
| NAK | CAM | H13 | 108.9° | 109.5° |
| CAN | CAM | H12 | 108.9° | 109.5° |
| CAN | CAM | H13 | 108.9° | 109.5° |
| CAM | CAN | H14 | 109.5° | 109.5° |
| CAM | CAN | H15 | 109.5° | 109.4° |
| CAM | CAN | H16 | 109.4° | 109.5° |
| H1 | CAU | H2 | 109.4° | 109.4° |
| H1 | CAU | H3 | 109.4° | 109.5° |
| H2 | CAU | H3 | 109.5° | 109.5° |
| H4 | CAT | H5 | 109.5° | 109.5° |
| H12 | CAM | H13 | 109.5° | 109.4° |
| H14 | CAN | H15 | 109.4° | 109.5° |
| H14 | CAN | H16 | 109.5° | 109.5° |
| H15 | CAN | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAT | NAS | H4 | 119.3° | 120.0° |
| CAU | CAT | NAS | H5 | 119.3° | 120.0° |
| CAU | CAT | NAS | SAP | 168.0° | 164.5° |
| CAT | CAU | H1 | H2 | 120.0° | 120.0° |
| CAT | CAU | H1 | H3 | 120.0° | 120.0° |
| CAT | CAU | H2 | H3 | 120.0° | 120.1° |
| CAU | CAT | H4 | H5 | 122.1° | 120.0° |
| CAU | CAT | NAS | H6 | 70.9° | 15.6° |
| CAT | NAS | SAP | H6 | 121.1° | 179.9° |
| CAT | NAS | SAP | OAR | 170.3° | 49.2° |
| CAT | NAS | SAP | OAQ | 42.2° | 177.9° |
| CAT | NAS | SAP | CAC | 72.9° | 64.4° |
| NAS | CAT | CAU | H1 | 180.0° | 60.1° |
| NAS | CAT | CAU | H2 | 60.0° | 180.0° |
| NAS | CAT | CAU | H3 | 60.0° | 60.0° |
| NAS | CAT | H4 | H5 | 122.1° | 120.1° |
| NAS | SAP | OAR | OAQ | 129.2° | 122.9° |
| NAS | SAP | OAR | CAC | 109.1° | 114.2° |
| NAS | SAP | OAQ | CAC | 111.5° | 114.1° |
| NAS | SAP | CAC | CAD | 61.2° | 64.0° |
| NAS | SAP | CAC | CAB | 114.4° | 115.7° |
| SAP | NAS | CAT | H4 | 48.7° | 44.6° |
| SAP | NAS | CAT | H5 | 72.8° | 75.4° |
| OAR | SAP | OAQ | CAC | 124.4° | 123.0° |
| OAR | SAP | CAC | CAD | 51.4° | 177.6° |
| OAR | SAP | CAC | CAB | 133.0° | 2.1° |
| OAR | SAP | NAS | H6 | 49.2° | 130.9° |
| CAG | CAH | CAI | H10 | 180.0° | 179.9° |
| CAH | CAG | CAD | H9 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.5° | 0.5° |
| CAH | CAG | CAD | CAC | 179.9° | 180.0° |
| CAH | CAG | CAD | CAE | 1.2° | 0.2° |
| CAG | CAH | CAI | H11 | 179.5° | 179.9° |
| CAI | CAH | CAG | CAD | 1.7° | 0.1° |
| CAH | CAI | CAJ | H11 | 180.0° | 179.5° |
| CAH | CAI | CAJ | CAE | 1.1° | 0.7° |
| CAH | CAI | CAJ | CAL | 176.4° | 180.0° |
| CAI | CAH | CAG | H9 | 178.3° | 180.0° |
| CAG | CAD | CAC | SAP | 4.5° | 0.1° |
| CAG | CAD | CAC | CAE | 178.9° | 179.8° |
| CAG | CAD | CAC | CAB | 180.0° | 179.7° |
| CAG | CAD | CAE | CAJ | 0.5° | 0.0° |
| CAG | CAD | CAE | CAF | 179.0° | 179.6° |
| CAD | CAG | CAH | H10 | 178.3° | 180.0° |
| OAQ | SAP | CAC | CAD | 177.1° | 49.5° |
| OAQ | SAP | CAC | CAB | 7.3° | 130.8° |
| OAQ | SAP | NAS | H6 | 78.9° | 2.0° |
| SAP | CAC | CAD | CAB | 175.5° | 179.8° |
| SAP | CAC | CAD | CAE | 176.6° | 179.7° |
| SAP | CAC | CAB | CAA | 176.4° | 180.0° |
| CAC | SAP | NAS | H6 | 166.0° | 115.5° |
| SAP | CAC | CAB | H7 | 3.5° | 0.0° |
| CAI | CAJ | CAE | CAD | 1.7° | 0.4° |
| CAI | CAJ | CAE | CAL | 176.6° | 179.6° |
| CAI | CAJ | CAE | CAF | 179.6° | 179.2° |
| CAI | CAJ | CAL | OAO | 6.0° | 0.1° |
| CAI | CAJ | CAL | NAK | 177.7° | 178.8° |
| CAJ | CAI | CAH | H10 | 179.5° | 179.5° |
| CAC | CAD | CAE | CAJ | 178.6° | 179.9° |
| CAC | CAD | CAE | CAF | 0.0° | 0.6° |
| CAD | CAC | CAB | CAA | 0.7° | 0.2° |
| CAD | CAC | CAB | H7 | 179.3° | 179.7° |
| CAC | CAD | CAG | H9 | 0.2° | 0.1° |
| CAE | CAD | CAC | CAB | 1.1° | 0.5° |
| CAD | CAE | CAJ | CAF | 178.8° | 179.6° |
| CAD | CAE | CAJ | CAL | 178.3° | 180.0° |
| CAD | CAE | CAF | CAA | 1.4° | 0.2° |
| CAD | CAE | CAF | NAK | 178.4° | 179.7° |
| CAE | CAD | CAG | H9 | 178.7° | 179.8° |
| CAC | CAB | CAA | H7 | 180.0° | 180.0° |
| CAC | CAB | CAA | CAF | 0.7° | 0.1° |
| CAC | CAB | CAA | H8 | 179.3° | 180.0° |
| CAE | CAJ | CAL | OAO | 169.6° | 179.3° |
| CAE | CAJ | CAL | NAK | 2.0° | 0.6° |
| CAJ | CAE | CAF | CAA | 179.8° | 179.9° |
| CAJ | CAE | CAF | NAK | 2.8° | 0.0° |
| CAE | CAJ | CAI | H11 | 178.9° | 179.7° |
| CAL | CAJ | CAE | CAF | 2.9° | 0.4° |
| CAJ | CAL | OAO | NAK | 170.7° | 178.5° |
| CAJ | CAL | NAK | CAF | 0.4° | 0.6° |
| CAJ | CAL | NAK | CAM | 175.3° | 179.8° |
| CAL | CAJ | CAI | H11 | 3.6° | 0.4° |
| CAE | CAF | CAA | CAB | 1.7° | 0.1° |
| CAE | CAF | NAK | CAL | 1.4° | 0.3° |
| CAE | CAF | CAA | NAK | 176.2° | 179.9° |
| CAE | CAF | NAK | CAM | 173.7° | 179.9° |
| CAE | CAF | CAA | H8 | 178.2° | 180.0° |
| CAB | CAA | CAF | H8 | 180.0° | 179.9° |
| CAB | CAA | CAF | NAK | 177.9° | 180.0° |
| OAO | CAL | NAK | CAF | 171.7° | 179.3° |
| OAO | CAL | NAK | CAM | 3.3° | 1.1° |
| CAL | NAK | CAF | CAA | 178.0° | 179.8° |
| CAL | NAK | CAF | CAM | 175.1° | 179.6° |
| CAL | NAK | CAM | CAN | 88.5° | 90.4° |
| CAL | NAK | CAM | H12 | 151.2° | 29.6° |
| CAL | NAK | CAM | H13 | 31.8° | 149.5° |
| CAA | CAF | NAK | CAM | 2.8° | 0.2° |
| CAF | CAA | CAB | H7 | 179.3° | 179.9° |
| CAF | NAK | CAM | CAN | 85.6° | 90.0° |
| NAK | CAF | CAA | H8 | 2.0° | 0.2° |
| CAF | NAK | CAM | H12 | 34.7° | 149.9° |
| CAF | NAK | CAM | H13 | 154.1° | 30.0° |
| NAK | CAM | CAN | H12 | 120.3° | 120.0° |
| NAK | CAM | CAN | H13 | 120.3° | 120.0° |
| NAK | CAM | H12 | H13 | 119.0° | 119.9° |
| NAK | CAM | CAN | H14 | 180.0° | 60.0° |
| NAK | CAM | CAN | H15 | 60.0° | 60.0° |
| NAK | CAM | CAN | H16 | 60.0° | 180.0° |
| CAN | CAM | H12 | H13 | 119.0° | 120.0° |
| CAM | CAN | H14 | H15 | 120.0° | 120.0° |
| CAM | CAN | H14 | H16 | 120.0° | 120.0° |
| CAM | CAN | H15 | H16 | 120.0° | 120.0° |
| H1 | CAU | H2 | H3 | 119.9° | 120.0° |
| H1 | CAU | CAT | H4 | 60.7° | 180.0° |
| H1 | CAU | CAT | H5 | 60.7° | 60.0° |
| H2 | CAU | CAT | H4 | 59.3° | 60.0° |
| H2 | CAU | CAT | H5 | 179.3° | 59.9° |
| H3 | CAU | CAT | H4 | 179.3° | 60.0° |
| H3 | CAU | CAT | H5 | 59.3° | 180.0° |
| H4 | CAT | NAS | H6 | 169.8° | 135.5° |
| H5 | CAT | NAS | H6 | 48.4° | 104.5° |
| H7 | CAB | CAA | H8 | 0.7° | 0.1° |
| H9 | CAG | CAH | H10 | 1.7° | 0.0° |
| H10 | CAH | CAI | H11 | 0.5° | 0.0° |
| H12 | CAM | CAN | H14 | 59.7° | 180.0° |
| H12 | CAM | CAN | H15 | 179.7° | 60.0° |
| H12 | CAM | CAN | H16 | 60.4° | 59.9° |
| H13 | CAM | CAN | H14 | 59.7° | 60.0° |
| H13 | CAM | CAN | H15 | 60.3° | 179.9° |
| H13 | CAM | CAN | H16 | 179.7° | 60.0° |
| H14 | CAN | H15 | H16 | 120.0° | 120.0° |
