NIQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAM | CAL | sing | 1.41Å | 1.32Å | |
| NAM | CAN | sing | 1.47Å | 1.49Å | |
| CAL | CAH | doub | 1.37Å | 1.39Å | |
| CAL | CAK | sing | 1.41Å | 1.38Å | |
| CAH | NAI | sing | 1.38Å | 1.34Å | |
| CAH | NAG | sing | 1.38Å | 1.35Å | |
| CAK | OAQ | doub | 1.22Å | 1.23Å | |
| CAK | NAJ | sing | 1.35Å | 1.41Å | |
| NAJ | CAF | sing | 1.35Å | 1.42Å | |
| CAF | OAE | doub | 1.22Å | 1.23Å | |
| CAF | NAG | sing | 1.35Å | 1.35Å | |
| NAG | CAD | sing | 1.47Å | 1.48Å | |
| CAD | CAC | sing | 1.53Å | 1.51Å | |
| CAC | CAB | sing | 1.53Å | 1.51Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAO | CAP | sing | 1.54Å | 1.46Å | |
| CAO | CAN | sing | 1.55Å | 1.51Å | |
| CAP | CAS | sing | 1.54Å | 1.48Å | |
| CAS | CAR | sing | 1.54Å | 1.54Å | |
| CAR | CAN | sing | 1.55Å | 1.57Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| NAI | HAI1 | sing | 0.97Å | 1.00Å | |
| NAI | HAI2 | sing | 0.97Å | 1.00Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | NAM | CAN | 131.7° | 120.0° |
| NAM | CAL | CAH | 118.5° | 120.5° |
| NAM | CAL | CAK | 119.2° | 120.5° |
| CAL | NAM | HNAM | 103.6° | 120.0° |
| NAM | CAN | CAO | 115.8° | 110.7° |
| NAM | CAN | CAR | 113.4° | 110.7° |
| NAM | CAN | HAN | 109.8° | 110.7° |
| CAN | NAM | HNAM | 103.7° | 120.0° |
| CAH | CAL | CAK | 122.3° | 119.0° |
| CAL | CAH | NAI | 116.4° | 120.3° |
| CAL | CAH | NAG | 120.9° | 119.3° |
| CAL | CAK | OAQ | 120.5° | 120.2° |
| CAL | CAK | NAJ | 116.4° | 119.6° |
| NAI | CAH | NAG | 122.6° | 120.3° |
| CAH | NAI | HAI1 | 109.5° | 120.0° |
| CAH | NAI | HAI2 | 109.5° | 120.0° |
| CAH | NAG | CAF | 119.2° | 120.4° |
| CAH | NAG | CAD | 119.5° | 119.8° |
| OAQ | CAK | NAJ | 123.1° | 120.2° |
| CAK | NAJ | CAF | 119.9° | 120.7° |
| CAK | NAJ | HAJ | 120.1° | 119.7° |
| NAJ | CAF | OAE | 118.4° | 119.6° |
| NAJ | CAF | NAG | 121.3° | 121.0° |
| CAF | NAJ | HAJ | 120.1° | 119.6° |
| OAE | CAF | NAG | 120.2° | 119.5° |
| CAF | NAG | CAD | 121.3° | 119.8° |
| NAG | CAD | CAC | 104.3° | 109.4° |
| NAG | CAD | HAD1 | 110.8° | 109.5° |
| NAG | CAD | HAD2 | 110.7° | 109.5° |
| CAD | CAC | CAB | 107.2° | 109.4° |
| CAC | CAD | HAD1 | 110.7° | 109.5° |
| CAC | CAD | HAD2 | 110.7° | 109.4° |
| CAD | CAC | HAC1 | 110.1° | 109.5° |
| CAD | CAC | HAC2 | 110.0° | 109.5° |
| CAC | CAB | CAA | 104.6° | 109.5° |
| CAB | CAC | HAC1 | 110.0° | 109.5° |
| CAB | CAC | HAC2 | 110.1° | 109.5° |
| CAC | CAB | HAB1 | 110.7° | 109.5° |
| CAC | CAB | HAB2 | 110.7° | 109.5° |
| CAA | CAB | HAB1 | 110.7° | 109.4° |
| CAA | CAB | HAB2 | 110.7° | 109.5° |
| CAB | CAA | HAA1 | 109.5° | 109.5° |
| CAB | CAA | HAA2 | 109.4° | 109.4° |
| CAB | CAA | HAA3 | 109.5° | 109.5° |
| CAP | CAO | CAN | 87.1° | 104.2° |
| CAO | CAP | CAS | 98.5° | 106.6° |
| CAP | CAO | HAO1 | 114.7° | 110.5° |
| CAP | CAO | HAO2 | 114.7° | 110.5° |
| CAO | CAP | HAP1 | 112.2° | 110.0° |
| CAO | CAP | HAP2 | 112.2° | 110.0° |
| CAO | CAN | CAR | 99.0° | 102.8° |
| CAO | CAN | HAN | 109.5° | 110.8° |
| CAN | CAO | HAO1 | 114.7° | 110.5° |
| CAN | CAO | HAO2 | 114.7° | 110.5° |
| CAP | CAS | CAR | 91.6° | 106.6° |
| CAS | CAP | HAP1 | 112.1° | 110.0° |
| CAS | CAP | HAP2 | 112.1° | 110.1° |
| CAP | CAS | HAS1 | 113.7° | 110.1° |
| CAP | CAS | HAS2 | 113.8° | 110.0° |
| CAS | CAR | CAN | 103.6° | 104.2° |
| CAR | CAS | HAS1 | 113.8° | 110.0° |
| CAR | CAS | HAS2 | 113.7° | 110.0° |
| CAS | CAR | HAR1 | 110.9° | 110.4° |
| CAS | CAR | HAR2 | 110.9° | 110.5° |
| CAR | CAN | HAN | 108.7° | 110.9° |
| CAN | CAR | HAR1 | 110.9° | 110.5° |
| CAN | CAR | HAR2 | 110.9° | 110.5° |
| HAI1 | NAI | HAI2 | 109.4° | 120.0° |
| HAD1 | CAD | HAD2 | 109.5° | 109.5° |
| HAC1 | CAC | HAC2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAO1 | CAO | HAO2 | 109.5° | 110.5° |
| HAP1 | CAP | HAP2 | 109.5° | 110.0° |
| HAS1 | CAS | HAS2 | 109.5° | 110.1° |
| HAR1 | CAR | HAR2 | 109.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | NAM | CAN | HNAM | 122.8° | 179.7° |
| NAM | CAL | CAH | CAK | 177.3° | 179.7° |
| NAM | CAL | CAH | NAI | 2.2° | 0.0° |
| NAM | CAL | CAH | NAG | 178.6° | 180.0° |
| NAM | CAL | CAK | OAQ | 1.4° | 0.0° |
| NAM | CAL | CAK | NAJ | 178.6° | 180.0° |
| CAL | NAM | CAN | CAO | 153.5° | 162.0° |
| CAL | NAM | CAN | CAR | 40.0° | 84.7° |
| CAL | NAM | CAN | HAN | 81.9° | 38.8° |
| CAN | NAM | CAL | CAH | 100.9° | 174.0° |
| CAN | NAM | CAL | CAK | 81.8° | 5.7° |
| NAM | CAN | CAO | CAP | 175.8° | 156.3° |
| NAM | CAN | CAO | CAR | 121.6° | 118.3° |
| NAM | CAN | CAO | HAN | 124.8° | 123.2° |
| NAM | CAN | CAR | CAS | 143.1° | 156.3° |
| NAM | CAN | CAR | HAN | 122.5° | 123.3° |
| NAM | CAN | CAO | HAO1 | 59.8° | 37.6° |
| NAM | CAN | CAO | HAO2 | 68.2° | 85.1° |
| NAM | CAN | CAR | HAR1 | 97.8° | 85.1° |
| NAM | CAN | CAR | HAR2 | 24.1° | 37.6° |
| CAL | CAH | NAI | NAG | 179.2° | 180.0° |
| CAH | CAL | CAK | OAQ | 178.6° | 179.7° |
| CAH | CAL | CAK | NAJ | 1.4° | 0.3° |
| CAL | CAH | NAG | CAF | 0.8° | 0.0° |
| CAL | CAH | NAG | CAD | 179.0° | 179.9° |
| CAL | CAH | NAI | HAI1 | 180.0° | 0.0° |
| CAL | CAH | NAI | HAI2 | 60.0° | 180.0° |
| CAH | CAL | NAM | HNAM | 21.9° | 5.7° |
| CAK | CAL | CAH | NAI | 179.4° | 179.7° |
| CAK | CAL | CAH | NAG | 1.4° | 0.3° |
| CAL | CAK | OAQ | NAJ | 180.0° | 180.0° |
| CAL | CAK | NAJ | CAF | 0.9° | 0.0° |
| CAL | CAK | NAJ | HAJ | 179.0° | 180.0° |
| CAK | CAL | NAM | HNAM | 155.4° | 174.6° |
| NAI | CAH | NAG | CAF | 180.0° | 180.0° |
| NAI | CAH | NAG | CAD | 0.2° | 0.1° |
| CAH | NAI | HAI1 | HAI2 | 120.0° | 180.0° |
| CAH | NAG | CAF | NAJ | 0.4° | 0.3° |
| CAH | NAG | CAF | OAE | 179.6° | 180.0° |
| CAH | NAG | CAF | CAD | 179.8° | 179.9° |
| CAH | NAG | CAD | CAC | 89.2° | 90.0° |
| NAG | CAH | NAI | HAI1 | 0.8° | 180.0° |
| NAG | CAH | NAI | HAI2 | 120.8° | 0.0° |
| CAH | NAG | CAD | HAD1 | 151.7° | 150.0° |
| CAH | NAG | CAD | HAD2 | 30.0° | 29.9° |
| OAQ | CAK | NAJ | CAF | 179.1° | 180.0° |
| OAQ | CAK | NAJ | HAJ | 0.9° | 0.0° |
| CAK | NAJ | CAF | HAJ | 180.0° | 179.9° |
| CAK | NAJ | CAF | OAE | 179.7° | 180.0° |
| CAK | NAJ | CAF | NAG | 0.5° | 0.3° |
| NAJ | CAF | OAE | NAG | 179.2° | 179.8° |
| NAJ | CAF | NAG | CAD | 179.4° | 179.8° |
| OAE | CAF | NAG | CAD | 0.2° | 0.0° |
| OAE | CAF | NAJ | HAJ | 0.3° | 0.1° |
| CAF | NAG | CAD | CAC | 90.7° | 90.1° |
| NAG | CAF | NAJ | HAJ | 179.5° | 179.7° |
| CAF | NAG | CAD | HAD1 | 28.5° | 29.9° |
| CAF | NAG | CAD | HAD2 | 150.2° | 150.0° |
| NAG | CAD | CAC | HAD1 | 119.2° | 120.0° |
| NAG | CAD | CAC | HAD2 | 119.2° | 120.0° |
| NAG | CAD | CAC | CAB | 170.7° | 180.0° |
| NAG | CAD | HAD1 | HAD2 | 122.4° | 120.0° |
| NAG | CAD | CAC | HAC1 | 69.7° | 60.0° |
| NAG | CAD | CAC | HAC2 | 51.0° | 60.0° |
| CAD | CAC | CAB | HAC1 | 119.7° | 120.0° |
| CAD | CAC | CAB | HAC2 | 119.6° | 120.0° |
| CAD | CAC | CAB | CAA | 161.4° | 180.0° |
| CAC | CAD | HAD1 | HAD2 | 122.4° | 120.0° |
| CAD | CAC | HAC1 | HAC2 | 121.0° | 120.0° |
| CAD | CAC | CAB | HAB1 | 79.4° | 60.0° |
| CAD | CAC | CAB | HAB2 | 42.2° | 60.0° |
| CAC | CAB | CAA | HAB1 | 119.2° | 120.0° |
| CAC | CAB | CAA | HAB2 | 119.2° | 120.0° |
| CAB | CAC | CAD | HAD1 | 51.5° | 60.0° |
| CAB | CAC | CAD | HAD2 | 70.1° | 60.0° |
| CAB | CAC | HAC1 | HAC2 | 121.1° | 120.0° |
| CAC | CAB | HAB1 | HAB2 | 122.3° | 120.0° |
| CAC | CAB | CAA | HAA1 | 180.0° | 180.0° |
| CAC | CAB | CAA | HAA2 | 60.0° | 60.0° |
| CAC | CAB | CAA | HAA3 | 60.0° | 60.0° |
| CAA | CAB | CAC | HAC1 | 41.7° | 60.0° |
| CAA | CAB | CAC | HAC2 | 79.0° | 60.0° |
| CAA | CAB | HAB1 | HAB2 | 122.3° | 120.0° |
| CAB | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAB | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAB | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAP | CAO | CAN | HAO1 | 116.0° | 118.7° |
| CAP | CAO | CAN | HAO2 | 116.0° | 118.7° |
| CAO | CAP | CAS | HAP1 | 118.2° | 119.3° |
| CAO | CAP | CAS | HAP2 | 118.2° | 119.3° |
| CAO | CAP | CAS | CAR | 63.1° | 0.0° |
| CAP | CAO | CAN | CAR | 54.2° | 38.0° |
| CAP | CAO | CAN | HAN | 59.4° | 80.6° |
| CAP | CAO | HAO1 | HAO2 | 130.7° | 122.6° |
| CAO | CAP | HAP1 | HAP2 | 125.2° | 121.4° |
| CAO | CAP | CAS | HAS1 | 180.0° | 119.3° |
| CAO | CAP | CAS | HAS2 | 53.8° | 119.3° |
| CAN | CAO | CAP | CAS | 76.8° | 23.6° |
| CAO | CAN | CAR | CAS | 19.8° | 38.0° |
| CAO | CAN | CAR | HAN | 114.2° | 118.4° |
| CAN | CAO | HAO1 | HAO2 | 130.6° | 122.6° |
| CAN | CAO | CAP | HAP1 | 41.3° | 95.7° |
| CAN | CAO | CAP | HAP2 | 165.0° | 142.9° |
| CAO | CAN | CAR | HAR1 | 138.9° | 156.6° |
| CAO | CAN | CAR | HAR2 | 99.2° | 80.7° |
| CAO | CAN | NAM | HNAM | 83.7° | 17.7° |
| CAP | CAS | CAR | HAS1 | 116.9° | 119.3° |
| CAP | CAS | CAR | HAS2 | 116.9° | 119.3° |
| CAP | CAS | CAR | CAN | 23.2° | 23.6° |
| CAS | CAP | CAO | HAO1 | 39.2° | 95.1° |
| CAS | CAP | CAO | HAO2 | 167.2° | 142.3° |
| CAS | CAP | HAP1 | HAP2 | 125.1° | 121.4° |
| CAP | CAS | HAS1 | HAS2 | 128.5° | 121.4° |
| CAP | CAS | CAR | HAR1 | 95.9° | 142.3° |
| CAP | CAS | CAR | HAR2 | 142.2° | 95.1° |
| CAS | CAR | CAN | HAR1 | 119.1° | 118.6° |
| CAS | CAR | CAN | HAR2 | 119.1° | 118.7° |
| CAS | CAR | CAN | HAN | 94.4° | 80.5° |
| CAR | CAS | CAP | HAP1 | 55.1° | 119.3° |
| CAR | CAS | CAP | HAP2 | 178.7° | 119.3° |
| CAR | CAS | HAS1 | HAS2 | 128.5° | 121.4° |
| CAS | CAR | HAR1 | HAR2 | 122.7° | 122.6° |
| CAR | CAN | CAO | HAO1 | 61.8° | 80.7° |
| CAR | CAN | CAO | HAO2 | 170.2° | 156.7° |
| CAN | CAR | CAS | HAS1 | 140.0° | 95.7° |
| CAN | CAR | CAS | HAS2 | 93.7° | 142.9° |
| CAN | CAR | HAR1 | HAR2 | 122.7° | 122.7° |
| CAR | CAN | NAM | HNAM | 162.8° | 95.6° |
| HAN | CAN | CAO | HAO1 | 175.4° | 160.7° |
| HAN | CAN | CAO | HAO2 | 56.6° | 38.1° |
| HAN | CAN | CAR | HAR1 | 24.7° | 38.2° |
| HAN | CAN | CAR | HAR2 | 146.5° | 160.9° |
| HAN | CAN | NAM | HNAM | 40.9° | 140.9° |
| HAD1 | CAD | CAC | HAC1 | 171.1° | 180.0° |
| HAD1 | CAD | CAC | HAC2 | 68.2° | 60.0° |
| HAD2 | CAD | CAC | HAC1 | 49.5° | 60.0° |
| HAD2 | CAD | CAC | HAC2 | 170.2° | 180.0° |
| HAC1 | CAC | CAB | HAB1 | 161.0° | 180.0° |
| HAC1 | CAC | CAB | HAB2 | 77.5° | 60.0° |
| HAC2 | CAC | CAB | HAB1 | 40.3° | 60.0° |
| HAC2 | CAC | CAB | HAB2 | 161.8° | NaN° |
| HAB1 | CAB | CAA | HAA1 | 60.8° | 60.0° |
| HAB1 | CAB | CAA | HAA2 | 179.2° | 180.0° |
| HAB1 | CAB | CAA | HAA3 | 59.2° | 60.0° |
| HAB2 | CAB | CAA | HAA1 | 60.8° | 60.0° |
| HAB2 | CAB | CAA | HAA2 | 59.2° | 60.0° |
| HAB2 | CAB | CAA | HAA3 | 179.2° | 180.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAO1 | CAO | CAP | HAP1 | 157.3° | 145.6° |
| HAO1 | CAO | CAP | HAP2 | 79.0° | 24.2° |
| HAO2 | CAO | CAP | HAP1 | 74.7° | 23.0° |
| HAO2 | CAO | CAP | HAP2 | 49.0° | 98.4° |
| HAP1 | CAP | CAS | HAS1 | 61.8° | 0.0° |
| HAP1 | CAP | CAS | HAS2 | 171.9° | 121.4° |
| HAP2 | CAP | CAS | HAS1 | 61.9° | 121.4° |
| HAP2 | CAP | CAS | HAS2 | 64.4° | 0.1° |
| HAS1 | CAS | CAR | HAR1 | 21.0° | 23.0° |
| HAS1 | CAS | CAR | HAR2 | 100.9° | 145.6° |
| HAS2 | CAS | CAR | HAR1 | 147.2° | 98.4° |
| HAS2 | CAS | CAR | HAR2 | 25.3° | 24.2° |






