CNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAX | CBC | sing | 1.35Å | 1.35Å | |
| CBC | OAD | doub | 1.22Å | 1.22Å | |
| CBC | CBF | sing | 1.47Å | 1.51Å | |
| CBF | CAQ | doub | 1.39Å | 1.40Å | |
| CBF | CBG | sing | 1.47Å | 1.39Å | |
| CAQ | CBH | sing | 1.42Å | 1.40Å | |
| CBG | OAE | doub | 1.22Å | 1.25Å | |
| CBG | OBB | sing | 1.35Å | 1.37Å | |
| OBB | CBI | sing | 1.35Å | 1.37Å | |
| CBI | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CBI | CBH | sing | 1.41Å | 1.39Å | Aromatic |
| CAP | CBE | sing | 1.39Å | 1.40Å | Aromatic |
| CBH | CAN | doub | 1.40Å | 1.40Å | Aromatic |
| CAN | CAM | sing | 1.36Å | 1.40Å | Aromatic |
| CAM | CBE | doub | 1.40Å | 1.40Å | Aromatic |
| CBE | NBP | sing | 1.39Å | 1.42Å | |
| NBP | CAS | sing | 1.46Å | 1.46Å | |
| NBP | CAR | sing | 1.47Å | 1.46Å | |
| CAS | CAB | sing | 1.53Å | 1.52Å | |
| CAR | CAA | sing | 1.53Å | 1.52Å | |
| NAX | HAX1 | sing | 0.97Å | 1.00Å | |
| NAX | HAX2 | sing | 0.97Å | 1.00Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| 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 | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAX | CBC | OAD | 124.0° | 120.0° |
| NAX | CBC | CBF | 117.9° | 120.0° |
| CBC | NAX | HAX1 | 112.9° | 120.1° |
| CBC | NAX | HAX2 | 123.5° | 119.9° |
| OAD | CBC | CBF | 118.0° | 120.0° |
| CBC | CBF | CAQ | 119.6° | 121.4° |
| CBC | CBF | CBG | 121.4° | 121.4° |
| CAQ | CBF | CBG | 118.9° | 117.2° |
| CBF | CAQ | CBH | 120.2° | 117.9° |
| CBF | CAQ | HAQ | 119.9° | 121.1° |
| CBF | CBG | OAE | 122.2° | 121.0° |
| CBF | CBG | OBB | 120.3° | 117.9° |
| CAQ | CBH | CBI | 119.1° | 119.8° |
| CAQ | CBH | CAN | 121.7° | 120.4° |
| CBH | CAQ | HAQ | 119.9° | 121.0° |
| OAE | CBG | OBB | 117.4° | 121.1° |
| CBG | OBB | CBI | 121.2° | 116.4° |
| OBB | CBI | CAP | 119.0° | 120.2° |
| OBB | CBI | CBH | 120.3° | 120.3° |
| CAP | CBI | CBH | 120.8° | 119.5° |
| CBI | CAP | CBE | 120.8° | 119.8° |
| CBI | CAP | HAP | 119.6° | 120.1° |
| CBI | CBH | CAN | 119.2° | 119.8° |
| CAP | CBE | CAM | 118.5° | 120.4° |
| CAP | CBE | NBP | 118.9° | 119.8° |
| CBE | CAP | HAP | 119.6° | 120.1° |
| CBH | CAN | CAM | 120.0° | 119.9° |
| CBH | CAN | HAN | 120.0° | 120.0° |
| CAN | CAM | CBE | 120.7° | 120.5° |
| CAM | CAN | HAN | 120.0° | 120.1° |
| CAN | CAM | HAM | 119.7° | 119.7° |
| CAM | CBE | NBP | 122.6° | 119.8° |
| CBE | CAM | HAM | 119.7° | 119.8° |
| CBE | NBP | CAS | 120.1° | 120.0° |
| CBE | NBP | CAR | 121.3° | 120.0° |
| CAS | NBP | CAR | 118.6° | 120.0° |
| NBP | CAS | CAB | 111.1° | 109.4° |
| NBP | CAS | HAS1 | 108.9° | 109.5° |
| NBP | CAS | HAS2 | 108.6° | 109.5° |
| NBP | CAR | CAA | 110.5° | 109.5° |
| NBP | CAR | HAR1 | 109.1° | 109.5° |
| NBP | CAR | HAR2 | 108.9° | 109.5° |
| CAB | CAS | HAS1 | 108.9° | 109.5° |
| CAB | CAS | HAS2 | 108.6° | 109.5° |
| CAS | CAB | HAB1 | 109.5° | 109.5° |
| CAS | CAB | HAB2 | 109.5° | 109.5° |
| CAS | CAB | HAB3 | 109.5° | 109.4° |
| CAA | CAR | HAR1 | 109.2° | 109.4° |
| CAA | CAR | HAR2 | 108.9° | 109.5° |
| CAR | CAA | HAA1 | 109.5° | 109.5° |
| CAR | CAA | HAA2 | 109.5° | 109.5° |
| CAR | CAA | HAA3 | 109.5° | 109.5° |
| HAX1 | NAX | HAX2 | 123.5° | 120.0° |
| HAS1 | CAS | HAS2 | 110.8° | 109.5° |
| HAR1 | CAR | HAR2 | 110.2° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAX | CBC | OAD | CBF | 176.8° | 180.0° |
| NAX | CBC | CBF | CAQ | 163.5° | 180.0° |
| NAX | CBC | CBF | CBG | 12.7° | 0.3° |
| CBC | NAX | HAX1 | HAX2 | 180.0° | 179.8° |
| OAD | CBC | CBF | CAQ | 13.4° | 0.0° |
| OAD | CBC | CBF | CBG | 170.4° | 179.7° |
| OAD | CBC | NAX | HAX1 | 0.0° | 0.0° |
| OAD | CBC | NAX | HAX2 | 180.0° | 179.8° |
| CBC | CBF | CAQ | CBG | 176.3° | 179.8° |
| CBC | CBF | CAQ | CBH | 178.2° | 178.5° |
| CBC | CBF | CBG | OAE | 3.2° | 26.3° |
| CBC | CBF | CBG | OBB | 178.3° | 153.7° |
| CBF | CBC | NAX | HAX1 | 176.7° | 179.9° |
| CBF | CBC | NAX | HAX2 | 3.2° | 0.2° |
| CBC | CBF | CAQ | HAQ | 1.8° | 1.5° |
| CBF | CAQ | CBH | HAQ | 180.0° | 180.0° |
| CAQ | CBF | CBG | OAE | 179.4° | 153.5° |
| CAQ | CBF | CBG | OBB | 2.1° | 26.5° |
| CBF | CAQ | CBH | CBI | 0.9° | 9.8° |
| CBF | CAQ | CBH | CAN | 179.4° | 169.7° |
| CBG | CBF | CAQ | CBH | 1.9° | 1.7° |
| CBF | CBG | OAE | OBB | 178.6° | 180.0° |
| CBF | CBG | OBB | CBI | 1.3° | 39.2° |
| CBG | CBF | CAQ | HAQ | 178.1° | 178.3° |
| CAQ | CBH | CBI | OBB | 0.2° | 2.6° |
| CAQ | CBH | CBI | CAP | 179.6° | 177.2° |
| CAQ | CBH | CBI | CAN | 179.7° | 179.5° |
| CAQ | CBH | CAN | CAM | 179.8° | 177.7° |
| CAQ | CBH | CAN | HAN | 0.3° | 2.3° |
| OAE | CBG | OBB | CBI | 179.9° | 140.9° |
| CBG | OBB | CBI | CAP | 179.4° | 152.4° |
| CBG | OBB | CBI | CBH | 0.4° | 27.4° |
| OBB | CBI | CAP | CBH | 179.8° | 179.8° |
| OBB | CBI | CAP | CBE | 179.9° | 178.6° |
| OBB | CBI | CBH | CAN | 179.8° | 177.8° |
| OBB | CBI | CAP | HAP | 0.1° | 1.3° |
| CBI | CAP | CBE | HAP | 180.0° | 180.0° |
| CAP | CBI | CBH | CAN | 0.0° | 2.3° |
| CBI | CAP | CBE | CAM | 0.1° | 0.3° |
| CBI | CAP | CBE | NBP | 179.5° | 179.8° |
| CBH | CBI | CAP | CBE | 0.1° | 1.5° |
| CBI | CBH | CAN | CAM | 0.1° | 1.9° |
| CBI | CBH | CAQ | HAQ | 179.1° | 170.2° |
| CBH | CBI | CAP | HAP | 179.9° | 178.5° |
| CBI | CBH | CAN | HAN | 179.9° | 178.2° |
| CAP | CBE | CAM | CAN | 0.0° | 0.2° |
| CAP | CBE | CAM | NBP | 179.6° | 179.5° |
| CAP | CBE | NBP | CAS | 3.0° | 180.0° |
| CAP | CBE | NBP | CAR | 176.9° | 0.0° |
| CAP | CBE | CAM | HAM | 180.0° | 179.7° |
| CBH | CAN | CAM | HAN | 180.0° | 180.0° |
| CBH | CAN | CAM | CBE | 0.1° | 0.6° |
| CAN | CBH | CAQ | HAQ | 0.6° | 10.3° |
| CBH | CAN | CAM | HAM | 179.9° | 179.6° |
| CAN | CAM | CBE | HAM | 180.0° | 179.8° |
| CAN | CAM | CBE | NBP | 179.7° | 179.3° |
| CAM | CBE | NBP | CAS | 177.4° | 0.5° |
| CAM | CBE | NBP | CAR | 2.7° | 179.5° |
| CAM | CBE | CAP | HAP | 179.9° | 179.7° |
| CBE | CAM | CAN | HAN | 179.9° | 179.4° |
| CBE | NBP | CAS | CAR | 179.9° | 179.9° |
| CBE | NBP | CAS | CAB | 94.3° | 90.0° |
| CBE | NBP | CAR | CAA | 93.4° | 90.0° |
| NBP | CBE | CAP | HAP | 0.4° | 0.3° |
| NBP | CBE | CAM | HAM | 0.4° | 0.9° |
| CBE | NBP | CAS | HAS1 | 25.7° | 150.0° |
| CBE | NBP | CAS | HAS2 | 146.4° | 29.9° |
| CBE | NBP | CAR | HAR1 | 26.6° | 150.0° |
| CBE | NBP | CAR | HAR2 | 147.0° | 30.0° |
| NBP | CAS | CAB | HAS1 | 120.0° | 120.0° |
| NBP | CAS | CAB | HAS2 | 119.3° | 120.0° |
| CAS | NBP | CAR | CAA | 86.6° | 90.0° |
| NBP | CAS | HAS1 | HAS2 | 119.4° | 120.0° |
| CAS | NBP | CAR | HAR1 | 153.3° | 30.0° |
| CAS | NBP | CAR | HAR2 | 33.0° | 150.0° |
| NBP | CAS | CAB | HAB1 | 163.3° | 60.0° |
| NBP | CAS | CAB | HAB2 | 76.6° | 60.0° |
| NBP | CAS | CAB | HAB3 | 43.3° | 180.0° |
| CAR | NBP | CAS | CAB | 85.7° | 90.0° |
| NBP | CAR | CAA | HAR1 | 120.0° | 120.0° |
| NBP | CAR | CAA | HAR2 | 119.6° | 120.0° |
| CAR | NBP | CAS | HAS1 | 154.4° | 30.0° |
| CAR | NBP | CAS | HAS2 | 33.6° | 150.0° |
| NBP | CAR | HAR1 | HAR2 | 119.6° | 120.0° |
| NBP | CAR | CAA | HAA1 | 141.3° | 180.0° |
| NBP | CAR | CAA | HAA2 | 98.7° | 60.0° |
| NBP | CAR | CAA | HAA3 | 21.3° | 60.0° |
| CAB | CAS | HAS1 | HAS2 | 119.3° | 120.0° |
| CAS | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| CAS | CAB | HAB1 | HAB3 | 120.0° | 119.9° |
| CAS | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
| CAA | CAR | HAR1 | HAR2 | 119.6° | 120.0° |
| CAR | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAR | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAR | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAN | CAN | CAM | HAM | 0.1° | 0.4° |
| HAS1 | CAS | CAB | HAB1 | 43.3° | 179.9° |
| HAS1 | CAS | CAB | HAB2 | 163.4° | 60.0° |
| HAS1 | CAS | CAB | HAB3 | 76.7° | 60.0° |
| HAS2 | CAS | CAB | HAB1 | 77.3° | 59.9° |
| HAS2 | CAS | CAB | HAB2 | 42.7° | 180.0° |
| HAS2 | CAS | CAB | HAB3 | 162.7° | 60.0° |
| HAR1 | CAR | CAA | HAA1 | 21.3° | 60.0° |
| HAR1 | CAR | CAA | HAA2 | 141.3° | 180.0° |
| HAR1 | CAR | CAA | HAA3 | 98.7° | 60.0° |
| HAR2 | CAR | CAA | HAA1 | 99.1° | 60.0° |
| HAR2 | CAR | CAA | HAA2 | 20.9° | 60.0° |
| HAR2 | CAR | CAA | HAA3 | 141.0° | NaN° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
