WPF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | NAQ | sing | 1.47Å | 1.49Å | |
| NAQ | CAY | sing | 1.47Å | 1.49Å | |
| NAQ | CAP | sing | 1.47Å | 1.48Å | |
| CAP | CAO | sing | 1.53Å | 1.51Å | |
| CAO | CAN | sing | 1.53Å | 1.51Å | |
| CAN | NAM | sing | 1.46Å | 1.51Å | |
| NAM | CAW | sing | 1.37Å | 1.41Å | |
| NAM | CAL | sing | 1.47Å | 1.49Å | |
| CAW | CAX | sing | 1.51Å | 1.54Å | |
| CAW | NAV | doub | 1.30Å | 1.41Å | |
| NAV | CAU | sing | 1.37Å | 1.39Å | |
| CAU | CAT | sing | 1.40Å | 1.41Å | Aromatic |
| CAU | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CL1 | sing | 1.74Å | 1.75Å | |
| CAI | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAL | sing | 1.51Å | 1.56Å | |
| CAL | CAF | sing | 1.51Å | 1.55Å | |
| CAF | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.42Å | Aromatic |
| CAG | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.42Å | Aromatic |
| CAC | CAA | sing | 1.51Å | 1.51Å | |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR3 | sing | 1.09Å | 1.10Å | |
| CAY | HAY1 | sing | 1.09Å | 1.10Å | |
| CAY | HAY2 | sing | 1.09Å | 1.10Å | |
| CAY | HAY3 | sing | 1.09Å | 1.10Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX3 | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | NAQ | CAY | 112.8° | 111.1° |
| CAR | NAQ | CAP | 109.3° | 111.0° |
| NAQ | CAR | HAR1 | 109.5° | 109.4° |
| NAQ | CAR | HAR2 | 109.5° | 109.5° |
| NAQ | CAR | HAR3 | 109.5° | 109.4° |
| CAY | NAQ | CAP | 111.5° | 111.0° |
| NAQ | CAY | HAY1 | 109.5° | 109.4° |
| NAQ | CAY | HAY2 | 109.4° | 109.5° |
| NAQ | CAY | HAY3 | 109.5° | 109.4° |
| NAQ | CAP | CAO | 109.2° | 109.5° |
| NAQ | CAP | HAP1 | 109.6° | 109.5° |
| NAQ | CAP | HAP2 | 109.6° | 109.5° |
| CAP | CAO | CAN | 110.9° | 109.5° |
| CAO | CAP | HAP1 | 109.5° | 109.5° |
| CAO | CAP | HAP2 | 109.6° | 109.4° |
| CAP | CAO | HAO1 | 109.0° | 109.5° |
| CAP | CAO | HAO2 | 108.7° | 109.5° |
| CAO | CAN | NAM | 111.2° | 109.4° |
| CAN | CAO | HAO1 | 109.0° | 109.5° |
| CAN | CAO | HAO2 | 108.7° | 109.4° |
| CAO | CAN | HAN1 | 108.9° | 109.4° |
| CAO | CAN | HAN2 | 108.5° | 109.4° |
| CAN | NAM | CAW | 120.4° | 120.6° |
| CAN | NAM | CAL | 118.8° | 120.7° |
| NAM | CAN | HAN1 | 108.9° | 109.5° |
| NAM | CAN | HAN2 | 108.5° | 109.5° |
| CAW | NAM | CAL | 120.8° | 118.7° |
| NAM | CAW | CAX | 120.7° | 119.7° |
| NAM | CAW | NAV | 121.3° | 120.5° |
| NAM | CAL | CAK | 113.3° | 107.9° |
| NAM | CAL | CAF | 105.5° | 109.8° |
| NAM | CAL | HAL | 110.9° | 109.8° |
| CAX | CAW | NAV | 118.0° | 119.8° |
| CAW | CAX | HAX1 | 109.5° | 109.5° |
| CAW | CAX | HAX2 | 109.5° | 109.4° |
| CAW | CAX | HAX3 | 109.5° | 109.5° |
| CAW | NAV | CAU | 123.2° | 121.1° |
| NAV | CAU | CAT | 119.7° | 120.4° |
| NAV | CAU | CAK | 118.8° | 120.0° |
| CAT | CAU | CAK | 121.5° | 119.6° |
| CAU | CAT | CAS | 120.1° | 119.8° |
| CAU | CAT | HAT | 120.0° | 120.1° |
| CAU | CAK | CAJ | 118.0° | 120.2° |
| CAU | CAK | CAL | 122.6° | 119.0° |
| CAT | CAS | CAI | 118.1° | 120.3° |
| CAS | CAT | HAT | 120.0° | 120.1° |
| CAT | CAS | HAS | 121.0° | 119.8° |
| CAS | CAI | CL1 | 121.2° | 119.9° |
| CAS | CAI | CAJ | 121.0° | 120.2° |
| CAI | CAS | HAS | 120.9° | 119.9° |
| CL1 | CAI | CAJ | 117.7° | 119.8° |
| CAI | CAJ | CAK | 121.3° | 119.9° |
| CAI | CAJ | HAJ | 119.3° | 120.1° |
| CAJ | CAK | CAL | 119.4° | 120.8° |
| CAK | CAJ | HAJ | 119.3° | 120.1° |
| CAK | CAL | CAF | 113.0° | 109.6° |
| CAK | CAL | HAL | 103.1° | 109.8° |
| CAL | CAF | CAG | 118.4° | 120.0° |
| CAL | CAF | CAE | 121.4° | 120.0° |
| CAF | CAL | HAL | 111.2° | 109.9° |
| CAG | CAF | CAE | 120.1° | 120.0° |
| CAF | CAG | CAD | 120.7° | 120.0° |
| CAF | CAG | HAG | 119.6° | 120.0° |
| CAF | CAE | CAB | 119.4° | 120.0° |
| CAF | CAE | HAE | 120.3° | 120.0° |
| CAG | CAD | CAC | 119.6° | 120.0° |
| CAD | CAG | HAG | 119.7° | 120.0° |
| CAG | CAD | HAD | 120.2° | 120.0° |
| CAD | CAC | CAA | 118.1° | 120.0° |
| CAD | CAC | CAB | 120.5° | 120.0° |
| CAC | CAD | HAD | 120.2° | 120.0° |
| CAA | CAC | CAB | 121.3° | 119.9° |
| CAC | CAA | HAA1 | 109.5° | 109.4° |
| CAC | CAA | HAA2 | 109.4° | 109.5° |
| CAC | CAA | HAA3 | 109.5° | 109.4° |
| CAC | CAB | CAE | 119.7° | 119.9° |
| CAC | CAB | HAB | 120.2° | 120.0° |
| CAB | CAE | HAE | 120.3° | 120.0° |
| CAE | CAB | HAB | 120.2° | 120.0° |
| HAR1 | CAR | HAR2 | 109.5° | 109.5° |
| HAR1 | CAR | HAR3 | 109.4° | 109.4° |
| HAR2 | CAR | HAR3 | 109.5° | 109.5° |
| HAY1 | CAY | HAY2 | 109.4° | 109.5° |
| HAY1 | CAY | HAY3 | 109.4° | 109.4° |
| HAY2 | CAY | HAY3 | 109.5° | 109.5° |
| HAP1 | CAP | HAP2 | 109.3° | 109.5° |
| HAO1 | CAO | HAO2 | 110.5° | 109.5° |
| HAN1 | CAN | HAN2 | 110.8° | 109.5° |
| HAX1 | CAX | HAX2 | 109.5° | 109.5° |
| HAX1 | CAX | HAX3 | 109.4° | 109.5° |
| HAX2 | CAX | HAX3 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | NAQ | CAY | CAP | 123.5° | 124.0° |
| CAR | NAQ | CAP | CAO | 146.2° | 169.9° |
| NAQ | CAR | HAR1 | HAR2 | 120.0° | 120.0° |
| NAQ | CAR | HAR1 | HAR3 | 120.0° | 119.9° |
| NAQ | CAR | HAR2 | HAR3 | 120.0° | 120.0° |
| CAR | NAQ | CAY | HAY1 | 33.7° | 60.0° |
| CAR | NAQ | CAY | HAY2 | 86.3° | 180.0° |
| CAR | NAQ | CAY | HAY3 | 153.7° | 59.9° |
| CAR | NAQ | CAP | HAP1 | 93.8° | 70.0° |
| CAR | NAQ | CAP | HAP2 | 26.1° | 50.0° |
| CAY | NAQ | CAP | CAO | 88.3° | 66.0° |
| CAY | NAQ | CAR | HAR1 | 158.2° | 56.0° |
| CAY | NAQ | CAR | HAR2 | 38.2° | 176.0° |
| CAY | NAQ | CAR | HAR3 | 81.9° | 63.9° |
| NAQ | CAY | HAY1 | HAY2 | 120.0° | 120.0° |
| NAQ | CAY | HAY1 | HAY3 | 120.0° | 119.9° |
| NAQ | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
| CAY | NAQ | CAP | HAP1 | 31.7° | 54.0° |
| CAY | NAQ | CAP | HAP2 | 151.6° | 174.0° |
| NAQ | CAP | CAO | HAP1 | 120.0° | 120.0° |
| NAQ | CAP | CAO | HAP2 | 120.1° | 120.0° |
| NAQ | CAP | CAO | CAN | 140.1° | 180.0° |
| CAP | NAQ | CAR | HAR1 | 33.5° | 180.0° |
| CAP | NAQ | CAR | HAR2 | 86.6° | 60.0° |
| CAP | NAQ | CAR | HAR3 | 153.4° | 60.1° |
| CAP | NAQ | CAY | HAY1 | 157.2° | 64.0° |
| CAP | NAQ | CAY | HAY2 | 37.2° | 56.0° |
| CAP | NAQ | CAY | HAY3 | 82.8° | 176.1° |
| NAQ | CAP | HAP1 | HAP2 | 120.1° | 120.0° |
| NAQ | CAP | CAO | HAO1 | 20.1° | 60.0° |
| NAQ | CAP | CAO | HAO2 | 100.4° | 60.0° |
| CAP | CAO | CAN | HAO1 | 120.0° | 120.0° |
| CAP | CAO | CAN | HAO2 | 119.4° | 120.0° |
| CAP | CAO | CAN | NAM | 165.5° | 179.5° |
| CAO | CAP | HAP1 | HAP2 | 120.1° | 120.0° |
| CAP | CAO | HAO1 | HAO2 | 119.4° | 120.0° |
| CAP | CAO | CAN | HAN1 | 45.6° | 59.5° |
| CAP | CAO | CAN | HAN2 | 75.2° | 60.5° |
| CAO | CAN | NAM | HAN1 | 120.0° | 120.0° |
| CAO | CAN | NAM | HAN2 | 119.3° | 119.9° |
| CAO | CAN | NAM | CAW | 100.5° | 85.7° |
| CAO | CAN | NAM | CAL | 80.9° | 94.1° |
| CAN | CAO | CAP | HAP1 | 99.9° | 60.0° |
| CAN | CAO | CAP | HAP2 | 20.0° | 60.0° |
| CAN | CAO | HAO1 | HAO2 | 119.4° | 120.0° |
| CAO | CAN | HAN1 | HAN2 | 119.3° | 119.9° |
| CAN | NAM | CAW | CAL | 178.6° | 179.8° |
| CAN | NAM | CAW | CAX | 0.9° | 30.7° |
| CAN | NAM | CAW | NAV | 177.8° | 149.3° |
| CAN | NAM | CAL | CAK | 179.6° | 138.8° |
| CAN | NAM | CAL | CAF | 55.5° | 101.8° |
| NAM | CAN | CAO | HAO1 | 74.4° | 60.5° |
| NAM | CAN | CAO | HAO2 | 46.1° | 59.5° |
| NAM | CAN | HAN1 | HAN2 | 119.3° | 120.1° |
| CAN | NAM | CAL | HAL | 65.0° | 19.2° |
| NAM | CAW | CAX | NAV | 178.8° | 180.0° |
| NAM | CAW | NAV | CAU | 2.0° | 0.1° |
| CAW | NAM | CAL | CAK | 1.0° | 41.0° |
| CAW | NAM | CAL | CAF | 123.1° | 78.4° |
| CAW | NAM | CAN | HAN1 | 139.5° | 154.4° |
| CAW | NAM | CAN | HAN2 | 18.7° | 34.3° |
| CAW | NAM | CAL | HAL | 116.4° | 160.6° |
| NAM | CAW | CAX | HAX1 | 112.3° | 85.0° |
| NAM | CAW | CAX | HAX2 | 7.8° | 155.0° |
| NAM | CAW | CAX | HAX3 | 127.8° | 35.0° |
| CAL | NAM | CAW | CAX | 179.5° | 149.4° |
| CAL | NAM | CAW | NAV | 0.8° | 30.6° |
| NAM | CAL | CAK | CAU | 1.9° | 25.9° |
| NAM | CAL | CAK | CAJ | 177.5° | 154.1° |
| NAM | CAL | CAK | CAF | 119.9° | 119.6° |
| NAM | CAL | CAK | HAL | 119.9° | 119.6° |
| NAM | CAL | CAF | HAL | 120.3° | 120.9° |
| NAM | CAL | CAF | CAG | 50.2° | 140.0° |
| NAM | CAL | CAF | CAE | 127.6° | 39.7° |
| CAL | NAM | CAN | HAN1 | 39.1° | 25.8° |
| CAL | NAM | CAN | HAN2 | 159.9° | 145.9° |
| CAX | CAW | NAV | CAU | 179.2° | 179.9° |
| CAW | CAX | HAX1 | HAX2 | 120.0° | 120.0° |
| CAW | CAX | HAX1 | HAX3 | 120.0° | 120.0° |
| CAW | CAX | HAX2 | HAX3 | 120.0° | 120.0° |
| CAW | NAV | CAU | CAT | 178.0° | 164.7° |
| CAW | NAV | CAU | CAK | 1.1° | 15.3° |
| NAV | CAW | CAX | HAX1 | 66.5° | 95.0° |
| NAV | CAW | CAX | HAX2 | 173.5° | 25.0° |
| NAV | CAW | CAX | HAX3 | 53.5° | 145.0° |
| NAV | CAU | CAT | CAK | 179.0° | 180.0° |
| NAV | CAU | CAT | CAS | 179.3° | 180.0° |
| NAV | CAU | CAK | CAJ | 178.5° | 179.9° |
| NAV | CAU | CAK | CAL | 0.9° | 0.0° |
| NAV | CAU | CAT | HAT | 0.8° | 0.1° |
| CAU | CAT | CAS | HAT | 180.0° | 180.0° |
| CAU | CAT | CAS | CAI | 1.0° | 0.0° |
| CAT | CAU | CAK | CAJ | 0.5° | 0.1° |
| CAT | CAU | CAK | CAL | 179.9° | 180.0° |
| CAU | CAT | CAS | HAS | 179.0° | 180.0° |
| CAK | CAU | CAT | CAS | 0.3° | 0.0° |
| CAU | CAK | CAJ | CAI | 0.6° | 0.1° |
| CAU | CAK | CAJ | CAL | 179.4° | 179.9° |
| CAU | CAK | CAL | CAF | 118.1° | 93.7° |
| CAU | CAK | CAL | HAL | 121.8° | 145.5° |
| CAK | CAU | CAT | HAT | 179.8° | 180.0° |
| CAU | CAK | CAJ | HAJ | 179.4° | 180.0° |
| CAT | CAS | CAI | HAS | 180.0° | 180.0° |
| CAT | CAS | CAI | CL1 | 179.6° | 180.0° |
| CAT | CAS | CAI | CAJ | 0.9° | 0.0° |
| CAS | CAI | CL1 | CAJ | 179.5° | 180.0° |
| CAS | CAI | CAJ | CAK | 0.1° | 0.0° |
| CAI | CAS | CAT | HAT | 179.1° | 180.0° |
| CAS | CAI | CAJ | HAJ | 179.9° | 180.0° |
| CL1 | CAI | CAJ | CAK | 179.6° | 180.0° |
| CL1 | CAI | CAS | HAS | 0.4° | 0.0° |
| CL1 | CAI | CAJ | HAJ | 0.4° | 0.0° |
| CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAL | 180.0° | 180.0° |
| CAJ | CAI | CAS | HAS | 179.1° | 180.0° |
| CAJ | CAK | CAL | CAF | 62.6° | 86.3° |
| CAJ | CAK | CAL | HAL | 57.6° | 34.5° |
| CAK | CAL | CAF | HAL | 115.4° | 120.7° |
| CAK | CAL | CAF | CAG | 74.1° | 101.7° |
| CAK | CAL | CAF | CAE | 108.2° | 78.7° |
| CAL | CAK | CAJ | HAJ | 0.0° | 0.0° |
| CAL | CAF | CAG | CAE | 177.8° | 179.7° |
| CAL | CAF | CAG | CAD | 179.8° | 180.0° |
| CAL | CAF | CAE | CAB | 177.7° | 179.8° |
| CAL | CAF | CAG | HAG | 0.2° | 0.1° |
| CAL | CAF | CAE | HAE | 2.2° | 0.1° |
| CAF | CAG | CAD | HAG | 180.0° | 180.0° |
| CAF | CAG | CAD | CAC | 4.0° | 0.0° |
| CAG | CAF | CAE | CAB | 0.0° | 0.5° |
| CAG | CAF | CAL | HAL | 170.5° | 19.1° |
| CAG | CAF | CAE | HAE | 180.0° | 179.7° |
| CAF | CAG | CAD | HAD | 176.0° | 179.9° |
| CAE | CAF | CAG | CAD | 2.0° | 0.3° |
| CAF | CAE | CAB | CAC | 0.0° | 0.4° |
| CAF | CAE | CAB | HAE | 180.0° | 179.8° |
| CAE | CAF | CAL | HAL | 7.2° | 160.6° |
| CAE | CAF | CAG | HAG | 178.0° | 179.7° |
| CAF | CAE | CAB | HAB | 180.0° | 179.7° |
| CAG | CAD | CAC | HAD | 180.0° | 179.9° |
| CAG | CAD | CAC | CAA | 179.7° | 180.0° |
| CAG | CAD | CAC | CAB | 3.9° | 0.1° |
| CAD | CAC | CAA | CAB | 176.4° | 180.0° |
| CAD | CAC | CAB | CAE | 1.9° | 0.1° |
| CAC | CAD | CAG | HAG | 176.0° | 180.0° |
| CAD | CAC | CAA | HAA1 | 35.8° | 90.0° |
| CAD | CAC | CAA | HAA2 | 155.8° | 150.0° |
| CAD | CAC | CAA | HAA3 | 84.2° | 29.9° |
| CAD | CAC | CAB | HAB | 178.0° | 180.0° |
| CAA | CAC | CAB | CAE | 178.2° | 179.9° |
| CAA | CAC | CAD | HAD | 0.3° | 0.0° |
| CAC | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAC | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| CAC | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAC | CAB | HAB | 1.8° | 0.0° |
| CAC | CAB | CAE | HAB | 180.0° | 179.9° |
| CAC | CAB | CAE | HAE | 180.0° | 179.8° |
| CAB | CAC | CAD | HAD | 176.1° | 180.0° |
| CAB | CAC | CAA | HAA1 | 140.6° | 90.0° |
| CAB | CAC | CAA | HAA2 | 20.6° | 30.0° |
| CAB | CAC | CAA | HAA3 | 99.4° | 150.1° |
| HAR1 | CAR | HAR2 | HAR3 | 119.9° | 120.0° |
| HAY1 | CAY | HAY2 | HAY3 | 119.9° | 120.0° |
| HAP1 | CAP | CAO | HAO1 | 140.1° | 180.0° |
| HAP1 | CAP | CAO | HAO2 | 19.6° | 60.0° |
| HAP2 | CAP | CAO | HAO1 | 100.0° | 60.0° |
| HAP2 | CAP | CAO | HAO2 | 139.5° | 180.0° |
| HAO1 | CAO | CAN | HAN1 | 165.6° | 179.5° |
| HAO1 | CAO | CAN | HAN2 | 44.8° | 59.5° |
| HAO2 | CAO | CAN | HAN1 | 73.9° | 60.5° |
| HAO2 | CAO | CAN | HAN2 | 165.4° | 179.5° |
| HAX1 | CAX | HAX2 | HAX3 | 120.0° | 120.0° |
| HAT | CAT | CAS | HAS | 1.0° | 0.0° |
| HAG | CAG | CAD | HAD | 4.0° | 0.1° |
| HAE | CAE | CAB | HAB | 0.0° | 0.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
