DZ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAN | sing | 1.51Å | 1.56Å | |
| CAN | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAS | sing | 1.39Å | 1.42Å | Aromatic |
| CAJ | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | OAD | sing | 1.36Å | 1.34Å | |
| CAS | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CAB | sing | 1.51Å | 1.55Å | |
| CAO | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAU | CAM | sing | 1.48Å | 1.55Å | |
| CAM | OAC | doub | 1.22Å | 1.23Å | |
| CAM | NAL | sing | 1.35Å | 1.36Å | |
| NAL | CAR | sing | 1.40Å | 1.40Å | |
| CAR | CAH | doub | 1.39Å | 1.42Å | Aromatic |
| CAR | CAI | sing | 1.39Å | 1.33Å | Aromatic |
| CAH | CAP | sing | 1.38Å | 1.44Å | Aromatic |
| CAP | BRAF | sing | 1.89Å | 2.02Å | |
| CAP | CAT | doub | 1.39Å | 1.42Å | Aromatic |
| CAT | OAE | sing | 1.36Å | 1.39Å | |
| CAT | CAQ | sing | 1.39Å | 1.41Å | Aromatic |
| CAQ | BRAG | sing | 1.89Å | 1.90Å | |
| CAQ | CAI | doub | 1.38Å | 1.37Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAN | CAJ | 116.6° | 120.0° |
| CAA | CAN | CAS | 122.1° | 119.9° |
| CAN | CAA | HAA | 109.5° | 109.6° |
| CAN | CAA | HAAA | 109.4° | 109.4° |
| CAN | CAA | HAAB | 109.4° | 109.4° |
| CAJ | CAN | CAS | 121.3° | 120.1° |
| CAN | CAJ | CAU | 120.0° | 120.0° |
| CAN | CAJ | HAJ | 120.0° | 120.0° |
| CAN | CAS | OAD | 123.5° | 119.9° |
| CAN | CAS | CAO | 118.7° | 120.2° |
| CAJ | CAU | CAK | 117.5° | 119.8° |
| CAJ | CAU | CAM | 125.3° | 120.1° |
| CAU | CAJ | HAJ | 120.0° | 120.0° |
| OAD | CAS | CAO | 117.8° | 119.9° |
| CAS | OAD | HOAD | 109.5° | 114.0° |
| CAS | CAO | CAB | 121.8° | 119.9° |
| CAS | CAO | CAK | 119.1° | 120.1° |
| CAB | CAO | CAK | 119.1° | 120.0° |
| CAO | CAB | HAB | 109.5° | 109.5° |
| CAO | CAB | HABA | 109.5° | 109.5° |
| CAO | CAB | HABB | 109.4° | 109.5° |
| CAO | CAK | CAU | 123.5° | 119.9° |
| CAO | CAK | HAK | 118.2° | 120.0° |
| CAK | CAU | CAM | 117.2° | 120.1° |
| CAU | CAK | HAK | 118.3° | 120.1° |
| CAU | CAM | OAC | 117.6° | 120.0° |
| CAU | CAM | NAL | 121.8° | 120.0° |
| OAC | CAM | NAL | 120.3° | 120.0° |
| CAM | NAL | CAR | 118.6° | 120.0° |
| CAM | NAL | HNAL | 120.7° | 120.0° |
| NAL | CAR | CAH | 123.2° | 120.0° |
| NAL | CAR | CAI | 118.2° | 120.0° |
| CAR | NAL | HNAL | 120.7° | 120.0° |
| CAH | CAR | CAI | 118.6° | 120.0° |
| CAR | CAH | CAP | 121.1° | 119.9° |
| CAR | CAH | HAH | 119.5° | 120.1° |
| CAR | CAI | CAQ | 122.2° | 120.0° |
| CAR | CAI | HAI | 118.9° | 120.0° |
| CAH | CAP | BRAF | 124.3° | 120.0° |
| CAH | CAP | CAT | 118.0° | 120.0° |
| CAP | CAH | HAH | 119.4° | 120.0° |
| BRAF | CAP | CAT | 117.7° | 120.0° |
| CAP | CAT | OAE | 124.6° | 120.0° |
| CAP | CAT | CAQ | 117.4° | 120.0° |
| OAE | CAT | CAQ | 118.1° | 120.0° |
| CAT | OAE | HOAE | 109.5° | 114.0° |
| CAT | CAQ | BRAG | 129.8° | 120.0° |
| CAT | CAQ | CAI | 122.6° | 120.0° |
| BRAG | CAQ | CAI | 107.5° | 120.0° |
| CAQ | CAI | HAI | 118.9° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAN | CAJ | CAS | 178.0° | 179.8° |
| CAA | CAN | CAJ | CAU | 179.4° | 180.0° |
| CAA | CAN | CAS | OAD | 1.5° | 0.0° |
| CAA | CAN | CAS | CAO | 178.5° | 180.0° |
| CAN | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAN | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAN | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | CAN | CAJ | HAJ | 0.6° | 0.0° |
| CAN | CAJ | CAU | HAJ | 180.0° | 180.0° |
| CAJ | CAN | CAS | OAD | 179.4° | 179.8° |
| CAJ | CAN | CAS | CAO | 0.6° | 0.3° |
| CAN | CAJ | CAU | CAK | 1.2° | 0.0° |
| CAN | CAJ | CAU | CAM | 179.5° | 180.0° |
| CAJ | CAN | CAA | HAA | 8.8° | 89.9° |
| CAJ | CAN | CAA | HAAA | 128.8° | 150.0° |
| CAJ | CAN | CAA | HAAB | 111.2° | 30.1° |
| CAS | CAN | CAJ | CAU | 1.4° | 0.3° |
| CAN | CAS | OAD | CAO | 180.0° | 179.9° |
| CAN | CAS | CAO | CAB | 178.0° | 179.9° |
| CAN | CAS | CAO | CAK | 0.3° | 0.0° |
| CAS | CAN | CAA | HAA | 173.3° | 90.3° |
| CAS | CAN | CAA | HAAA | 53.3° | 29.7° |
| CAS | CAN | CAA | HAAB | 66.7° | 149.7° |
| CAS | CAN | CAJ | HAJ | 178.5° | 179.7° |
| CAN | CAS | OAD | HOAD | 78.0° | 90.0° |
| CAJ | CAU | CAK | CAO | 0.3° | 0.2° |
| CAJ | CAU | CAK | CAM | 179.3° | 180.0° |
| CAJ | CAU | CAM | OAC | 144.4° | 0.0° |
| CAJ | CAU | CAM | NAL | 29.9° | 180.0° |
| CAJ | CAU | CAK | HAK | 179.7° | 180.0° |
| OAD | CAS | CAO | CAB | 2.0° | 0.0° |
| OAD | CAS | CAO | CAK | 179.7° | 180.0° |
| CAS | CAO | CAB | CAK | 177.7° | 180.0° |
| CAS | CAO | CAK | CAU | 0.5° | 0.2° |
| CAO | CAS | OAD | HOAD | 102.1° | 90.0° |
| CAS | CAO | CAB | HAB | 2.9° | 90.0° |
| CAS | CAO | CAB | HABA | 122.9° | 150.0° |
| CAS | CAO | CAB | HABB | 117.1° | 30.0° |
| CAS | CAO | CAK | HAK | 179.6° | 180.0° |
| CAB | CAO | CAK | CAU | 178.2° | 179.8° |
| CAO | CAB | HAB | HABA | 120.0° | 120.0° |
| CAO | CAB | HAB | HABB | 120.0° | 120.0° |
| CAO | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAO | CAK | HAK | 1.8° | 0.0° |
| CAO | CAK | CAU | HAK | 180.0° | 179.8° |
| CAO | CAK | CAU | CAM | 179.6° | 179.8° |
| CAK | CAO | CAB | HAB | 174.8° | 90.0° |
| CAK | CAO | CAB | HABA | 54.8° | 30.0° |
| CAK | CAO | CAB | HABB | 65.2° | 150.0° |
| CAK | CAU | CAM | OAC | 34.8° | 180.0° |
| CAK | CAU | CAM | NAL | 150.9° | 0.0° |
| CAK | CAU | CAJ | HAJ | 178.7° | 180.0° |
| CAU | CAM | OAC | NAL | 174.4° | 180.0° |
| CAU | CAM | NAL | CAR | 178.6° | 175.4° |
| CAM | CAU | CAJ | HAJ | 0.5° | 0.0° |
| CAM | CAU | CAK | HAK | 0.3° | 0.0° |
| CAU | CAM | NAL | HNAL | 1.4° | 4.6° |
| OAC | CAM | NAL | CAR | 4.5° | 4.7° |
| OAC | CAM | NAL | HNAL | 175.5° | 175.4° |
| CAM | NAL | CAR | HNAL | 180.0° | 180.0° |
| CAM | NAL | CAR | CAH | 66.1° | 35.2° |
| CAM | NAL | CAR | CAI | 113.7° | 145.2° |
| NAL | CAR | CAH | CAI | 179.8° | 179.6° |
| NAL | CAR | CAH | CAP | 179.5° | 180.0° |
| NAL | CAR | CAI | CAQ | 179.4° | 179.8° |
| NAL | CAR | CAH | HAH | 0.5° | 0.1° |
| NAL | CAR | CAI | HAI | 0.6° | 0.1° |
| CAR | CAH | CAP | HAH | 180.0° | 179.9° |
| CAR | CAH | CAP | BRAF | 179.8° | 180.0° |
| CAR | CAH | CAP | CAT | 2.3° | 0.1° |
| CAH | CAR | CAI | CAQ | 0.8° | 0.6° |
| CAH | CAR | NAL | HNAL | 113.9° | 144.9° |
| CAH | CAR | CAI | HAI | 179.2° | 179.7° |
| CAI | CAR | CAH | CAP | 0.3° | 0.4° |
| CAR | CAI | CAQ | CAT | 0.1° | 0.6° |
| CAR | CAI | CAQ | BRAG | 179.2° | 179.7° |
| CAR | CAI | CAQ | HAI | 180.0° | 179.7° |
| CAI | CAR | NAL | HNAL | 66.3° | 34.8° |
| CAI | CAR | CAH | HAH | 179.7° | 179.7° |
| CAH | CAP | BRAF | CAT | 177.5° | 179.9° |
| CAH | CAP | CAT | OAE | 178.9° | 179.9° |
| CAH | CAP | CAT | CAQ | 3.1° | 0.0° |
| BRAF | CAP | CAT | OAE | 1.3° | 0.0° |
| BRAF | CAP | CAT | CAQ | 179.2° | 180.0° |
| BRAF | CAP | CAH | HAH | 0.2° | 0.1° |
| CAP | CAT | OAE | CAQ | 177.9° | 179.9° |
| CAP | CAT | CAQ | BRAG | 179.0° | 180.0° |
| CAP | CAT | CAQ | CAI | 2.2° | 0.3° |
| CAT | CAP | CAH | HAH | 177.7° | 180.0° |
| CAP | CAT | OAE | HOAE | 44.3° | 90.0° |
| OAE | CAT | CAQ | BRAG | 0.9° | 0.1° |
| OAE | CAT | CAQ | CAI | 179.7° | 179.7° |
| CAT | CAQ | BRAG | CAI | 178.9° | 179.7° |
| CAQ | CAT | OAE | HOAE | 137.7° | 89.9° |
| CAT | CAQ | CAI | HAI | 179.9° | 179.8° |
| BRAG | CAQ | CAI | HAI | 0.8° | 0.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
