Z77
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CAW | sing | 1.40Å | 1.35Å | |
| N1 | CAT | sing | 1.35Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| CAP | N2 | sing | 1.46Å | 1.48Å | |
| N2 | CAT | sing | 1.35Å | 1.35Å | |
| N2 | CAO | sing | 1.47Å | 1.49Å | |
| CBB | N3 | sing | 1.38Å | 1.40Å | |
| N3 | CAZ | sing | 1.34Å | 1.41Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| OAS | CAA | sing | 1.43Å | 1.46Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | CAU | sing | 1.51Å | 1.53Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | CAV | sing | 1.51Å | 1.55Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAZ | OAD | doub | 1.22Å | 1.24Å | |
| CAN | OAE | sing | 1.43Å | 1.43Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAT | SAF | doub | 1.71Å | 1.72Å | |
| CAH | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAW | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAU | CAK | doub | 1.37Å | 1.40Å | Aromatic |
| CAK | CBA | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAV | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CBB | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CBA | CAM | sing | 1.46Å | 1.41Å | |
| CAM | CAY | doub | 1.36Å | 1.41Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAY | CAP | sing | 1.51Å | 1.55Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAX | OAS | sing | 1.36Å | 1.36Å | |
| CAV | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAY | sing | 1.41Å | 1.39Å | |
| CBB | CBA | doub | 1.41Å | 1.40Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAW | N1 | CAT | 126.5° | 120.0° |
| CAW | N1 | HN1 | 116.7° | 120.0° |
| N1 | CAW | CAH | 118.7° | 120.1° |
| N1 | CAW | CAJ | 123.0° | 120.0° |
| CAT | N1 | HN1 | 116.8° | 120.0° |
| N1 | CAT | N2 | 123.0° | 120.0° |
| N1 | CAT | SAF | 120.8° | 120.0° |
| CAP | N2 | CAT | 122.3° | 120.0° |
| CAP | N2 | CAO | 119.6° | 120.0° |
| N2 | CAP | CAY | 118.6° | 109.5° |
| N2 | CAP | HAP | 106.6° | 109.5° |
| N2 | CAP | HAPA | 106.5° | 109.4° |
| CAT | N2 | CAO | 117.3° | 120.0° |
| N2 | CAT | SAF | 116.2° | 120.0° |
| N2 | CAO | CAN | 114.7° | 109.4° |
| N2 | CAO | HAO | 107.8° | 109.5° |
| N2 | CAO | HAOA | 107.8° | 109.5° |
| CBB | N3 | CAZ | 121.2° | 120.9° |
| CBB | N3 | HN3 | 119.4° | 119.5° |
| N3 | CBB | CAL | 119.6° | 121.0° |
| N3 | CBB | CBA | 119.7° | 119.6° |
| CAZ | N3 | HN3 | 119.4° | 119.5° |
| N3 | CAZ | OAD | 120.6° | 119.1° |
| N3 | CAZ | CAY | 119.6° | 121.7° |
| OAS | CAA | HAA | 109.5° | 109.5° |
| OAS | CAA | HAAA | 109.5° | 109.4° |
| OAS | CAA | HAAB | 109.5° | 109.5° |
| CAA | OAS | CAX | 110.5° | 117.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| CAU | CAB | HAB | 109.5° | 109.5° |
| CAU | CAB | HABA | 109.4° | 109.5° |
| CAU | CAB | HABB | 109.5° | 109.5° |
| CAB | CAU | CAK | 120.3° | 119.7° |
| CAB | CAU | CAV | 119.6° | 119.7° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| CAV | CAC | HAC | 109.5° | 109.5° |
| CAV | CAC | HACA | 109.5° | 109.5° |
| CAV | CAC | HACB | 109.4° | 109.5° |
| CAC | CAV | CAL | 119.0° | 119.7° |
| CAC | CAV | CAU | 121.7° | 119.6° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.4° | 109.4° |
| HACA | CAC | HACB | 109.5° | 109.4° |
| OAD | CAZ | CAY | 119.9° | 119.2° |
| CAN | OAE | HOAE | 109.5° | 114.1° |
| OAE | CAN | CAO | 107.7° | 109.5° |
| OAE | CAN | HAN | 110.1° | 109.5° |
| OAE | CAN | HANA | 110.1° | 109.4° |
| CAH | CAG | CAI | 119.9° | 120.1° |
| CAH | CAG | HAG | 120.0° | 119.9° |
| CAG | CAH | CAW | 121.1° | 120.1° |
| CAG | CAH | HAH | 119.4° | 119.9° |
| CAI | CAG | HAG | 120.0° | 120.0° |
| CAG | CAI | CAX | 119.8° | 120.1° |
| CAG | CAI | HAI | 120.1° | 119.9° |
| CAW | CAH | HAH | 119.4° | 120.0° |
| CAH | CAW | CAJ | 118.4° | 119.9° |
| CAX | CAI | HAI | 120.1° | 120.0° |
| CAI | CAX | CAJ | 120.0° | 119.9° |
| CAI | CAX | OAS | 119.4° | 120.0° |
| CAW | CAJ | CAX | 120.7° | 119.9° |
| CAW | CAJ | HAJ | 119.7° | 120.1° |
| CAX | CAJ | HAJ | 119.6° | 120.1° |
| CAJ | CAX | OAS | 120.6° | 120.0° |
| CAU | CAK | CBA | 120.6° | 119.7° |
| CAU | CAK | HAK | 119.7° | 120.1° |
| CAK | CAU | CAV | 120.1° | 120.5° |
| CBA | CAK | HAK | 119.7° | 120.2° |
| CAK | CBA | CAM | 122.1° | 121.1° |
| CAK | CBA | CBB | 118.8° | 119.9° |
| CAV | CAL | CBB | 120.4° | 119.8° |
| CAV | CAL | HAL | 119.9° | 120.1° |
| CAL | CAV | CAU | 119.3° | 120.7° |
| CBB | CAL | HAL | 119.8° | 120.1° |
| CAL | CBB | CBA | 120.8° | 119.4° |
| CBA | CAM | CAY | 121.3° | 118.5° |
| CBA | CAM | HAM | 119.3° | 120.8° |
| CAM | CBA | CBB | 119.1° | 119.0° |
| CAY | CAM | HAM | 119.3° | 120.8° |
| CAM | CAY | CAP | 118.7° | 119.9° |
| CAM | CAY | CAZ | 119.1° | 120.3° |
| CAO | CAN | HAN | 110.1° | 109.5° |
| CAO | CAN | HANA | 110.1° | 109.5° |
| CAN | CAO | HAO | 107.8° | 109.4° |
| CAN | CAO | HAOA | 107.8° | 109.5° |
| HAN | CAN | HANA | 108.8° | 109.4° |
| HAO | CAO | HAOA | 111.1° | 109.5° |
| CAY | CAP | HAP | 106.5° | 109.5° |
| CAY | CAP | HAPA | 106.5° | 109.5° |
| CAP | CAY | CAZ | 122.1° | 119.8° |
| HAP | CAP | HAPA | 112.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAW | N1 | CAT | HN1 | 180.0° | 179.7° |
| CAW | N1 | CAT | N2 | 176.7° | 174.6° |
| CAW | N1 | CAT | SAF | 2.6° | 5.4° |
| N1 | CAW | CAH | CAG | 179.9° | 179.9° |
| N1 | CAW | CAH | CAJ | 179.9° | 179.9° |
| N1 | CAW | CAH | HAH | 0.1° | 0.0° |
| N1 | CAW | CAJ | CAX | 179.7° | 179.7° |
| N1 | CAW | CAJ | HAJ | 0.3° | 0.2° |
| N1 | CAT | N2 | CAP | 5.5° | 174.9° |
| N1 | CAT | N2 | SAF | 179.3° | 180.0° |
| N1 | CAT | N2 | CAO | 175.1° | 5.0° |
| CAT | N1 | CAW | CAH | 156.0° | 41.4° |
| CAT | N1 | CAW | CAJ | 23.9° | 138.6° |
| HN1 | N1 | CAT | N2 | 3.3° | 5.1° |
| HN1 | N1 | CAT | SAF | 177.4° | 174.9° |
| HN1 | N1 | CAW | CAH | 24.0° | 138.3° |
| HN1 | N1 | CAW | CAJ | 156.1° | 41.7° |
| CAP | N2 | CAT | CAO | 169.6° | 179.9° |
| CAP | N2 | CAT | SAF | 175.2° | 5.1° |
| N2 | CAP | CAY | CAM | 109.2° | 96.3° |
| CAP | N2 | CAO | CAN | 63.9° | 90.0° |
| CAP | N2 | CAO | HAO | 176.1° | 29.9° |
| CAP | N2 | CAO | HAOA | 56.1° | 149.9° |
| N2 | CAP | CAY | HAP | 120.0° | 120.0° |
| N2 | CAP | CAY | HAPA | 120.0° | 120.0° |
| N2 | CAP | HAP | HAPA | 116.2° | 119.9° |
| N2 | CAP | CAY | CAZ | 72.6° | 84.2° |
| CAT | N2 | CAO | CAN | 126.2° | 90.1° |
| CAT | N2 | CAO | HAO | 6.2° | 150.0° |
| CAT | N2 | CAO | HAOA | 113.8° | 30.0° |
| CAT | N2 | CAP | CAY | 103.7° | 86.5° |
| CAT | N2 | CAP | HAP | 136.3° | 153.5° |
| CAT | N2 | CAP | HAPA | 16.3° | 33.5° |
| N2 | CAO | CAN | OAE | 179.9° | 65.0° |
| CAO | N2 | CAT | SAF | 5.6° | 175.0° |
| N2 | CAO | CAN | HAO | 120.0° | 120.0° |
| N2 | CAO | CAN | HAOA | 120.0° | 120.0° |
| N2 | CAO | CAN | HAN | 59.9° | 55.0° |
| N2 | CAO | CAN | HANA | 60.1° | 175.0° |
| N2 | CAO | HAO | HAOA | 117.9° | 120.0° |
| CAO | N2 | CAP | CAY | 86.9° | 93.5° |
| CAO | N2 | CAP | HAP | 33.1° | 26.6° |
| CAO | N2 | CAP | HAPA | 153.1° | 146.6° |
| CBB | N3 | CAZ | HN3 | 180.0° | 179.6° |
| CBB | N3 | CAZ | OAD | 179.3° | 179.7° |
| N3 | CBB | CBA | CAK | 179.9° | 179.7° |
| N3 | CBB | CAL | CAV | 179.4° | 179.9° |
| N3 | CBB | CAL | CBA | 179.0° | 179.9° |
| N3 | CBB | CAL | HAL | 0.6° | 0.1° |
| N3 | CBB | CBA | CAM | 1.0° | 0.4° |
| CBB | N3 | CAZ | CAY | 0.6° | 0.3° |
| N3 | CAZ | OAD | CAY | 179.9° | 180.0° |
| CAZ | N3 | CBB | CAL | 179.9° | 180.0° |
| N3 | CAZ | CAY | CAM | 0.4° | 0.0° |
| N3 | CAZ | CAY | CAP | 178.6° | 179.5° |
| CAZ | N3 | CBB | CBA | 0.9° | 0.1° |
| HN3 | N3 | CAZ | OAD | 0.7° | 0.1° |
| HN3 | N3 | CBB | CAL | 0.0° | 0.4° |
| HN3 | N3 | CAZ | CAY | 179.3° | 179.9° |
| HN3 | N3 | CBB | CBA | 179.1° | 179.7° |
| OAS | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAS | CAA | HAA | HAAB | 120.0° | 120.1° |
| OAS | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | OAS | CAX | CAI | 67.8° | 0.1° |
| CAA | OAS | CAX | CAJ | 112.1° | 179.4° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | OAS | CAX | 180.0° | 59.9° |
| HAAA | CAA | OAS | CAX | 60.0° | 60.0° |
| HAAB | CAA | OAS | CAX | 60.0° | 180.0° |
| CAU | CAB | HAB | HABA | 120.0° | 120.0° |
| CAU | CAB | HAB | HABB | 120.0° | 120.0° |
| CAU | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAU | CAV | CAC | 0.7° | 0.3° |
| CAB | CAU | CAK | CAV | 179.1° | 179.5° |
| CAB | CAU | CAK | CBA | 179.2° | 180.0° |
| CAB | CAU | CAK | HAK | 0.7° | 0.2° |
| CAB | CAU | CAV | CAL | 179.9° | 179.7° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CAU | CAK | 90.5° | 90.0° |
| HAB | CAB | CAU | CAV | 90.4° | 90.5° |
| HABA | CAB | CAU | CAK | 149.6° | 150.0° |
| HABA | CAB | CAU | CAV | 29.6° | 29.6° |
| HABB | CAB | CAU | CAK | 29.6° | 30.0° |
| HABB | CAB | CAU | CAV | 149.6° | 149.6° |
| CAV | CAC | HAC | HACA | 120.0° | 120.0° |
| CAV | CAC | HAC | HACB | 120.0° | 120.0° |
| CAV | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | CAV | CAU | CAK | 179.8° | 179.8° |
| CAC | CAV | CAL | CAU | 179.4° | 180.0° |
| CAC | CAV | CAL | CBB | 179.9° | 180.0° |
| CAC | CAV | CAL | HAL | 0.1° | 0.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CAV | CAL | 90.3° | 90.0° |
| HAC | CAC | CAV | CAU | 90.3° | 90.0° |
| HACA | CAC | CAV | CAL | 149.7° | 150.0° |
| HACA | CAC | CAV | CAU | 29.7° | 30.0° |
| HACB | CAC | CAV | CAL | 29.7° | 30.0° |
| HACB | CAC | CAV | CAU | 149.7° | 150.0° |
| OAD | CAZ | CAY | CAM | 179.5° | 180.0° |
| OAD | CAZ | CAY | CAP | 1.3° | 0.5° |
| OAE | CAN | CAO | HAN | 120.0° | 120.0° |
| OAE | CAN | CAO | HANA | 120.0° | 120.0° |
| OAE | CAN | HAN | HANA | 120.8° | 119.9° |
| OAE | CAN | CAO | HAO | 59.9° | 55.0° |
| OAE | CAN | CAO | HAOA | 60.1° | 175.0° |
| HOAE | OAE | CAN | CAO | 180.0° | 179.9° |
| HOAE | OAE | CAN | HAN | 60.0° | 59.9° |
| HOAE | OAE | CAN | HANA | 60.0° | 60.0° |
| CAH | CAG | CAI | HAG | 180.0° | 179.7° |
| CAG | CAH | CAW | HAH | 180.0° | 179.9° |
| CAH | CAG | CAI | CAX | 0.0° | 0.3° |
| CAH | CAG | CAI | HAI | 180.0° | 179.6° |
| CAG | CAH | CAW | CAJ | 0.1° | 0.0° |
| CAI | CAG | CAH | CAW | 0.1° | 0.0° |
| CAI | CAG | CAH | HAH | 179.9° | 180.0° |
| CAG | CAI | CAX | HAI | 180.0° | 179.9° |
| CAG | CAI | CAX | CAJ | 0.1° | 0.5° |
| CAG | CAI | CAX | OAS | 179.9° | 180.0° |
| HAG | CAG | CAH | CAW | 179.9° | 179.7° |
| HAG | CAG | CAH | HAH | 0.1° | 0.3° |
| HAG | CAG | CAI | CAX | 179.9° | 180.0° |
| HAG | CAG | CAI | HAI | 0.1° | 0.1° |
| CAH | CAW | CAJ | CAX | 0.2° | 0.2° |
| CAH | CAW | CAJ | HAJ | 179.8° | 179.8° |
| HAH | CAH | CAW | CAJ | 180.0° | 180.0° |
| CAI | CAX | CAJ | CAW | 0.2° | 0.4° |
| CAI | CAX | CAJ | OAS | 179.8° | 179.5° |
| CAI | CAX | CAJ | HAJ | 179.7° | 180.0° |
| HAI | CAI | CAX | CAJ | 179.9° | 179.4° |
| HAI | CAI | CAX | OAS | 0.1° | 0.1° |
| CAW | CAJ | CAX | HAJ | 180.0° | 179.6° |
| CAW | CAJ | CAX | OAS | 180.0° | 179.9° |
| HAJ | CAJ | CAX | OAS | 0.1° | 0.5° |
| CAU | CAK | CBA | HAK | 180.0° | 179.8° |
| CAK | CAU | CAV | CAL | 0.8° | 0.2° |
| CAU | CAK | CBA | CAM | 179.7° | 179.7° |
| CAU | CAK | CBA | CBB | 0.8° | 0.4° |
| CAK | CBA | CBB | CAL | 1.0° | 0.2° |
| CAK | CBA | CAM | CBB | 178.9° | 179.3° |
| CAK | CBA | CAM | CAY | 179.7° | 180.0° |
| CAK | CBA | CAM | HAM | 0.3° | 0.0° |
| CBA | CAK | CAU | CAV | 0.1° | 0.4° |
| HAK | CAK | CBA | CAM | 0.3° | 0.0° |
| HAK | CAK | CAU | CAV | 179.9° | 179.3° |
| HAK | CAK | CBA | CBB | 179.2° | 179.3° |
| CAV | CAL | CBB | HAL | 180.0° | 180.0° |
| CAV | CAL | CBB | CBA | 0.4° | 0.0° |
| CAL | CBB | CBA | CAM | 180.0° | 179.5° |
| CBB | CAL | CAV | CAU | 0.5° | 0.0° |
| HAL | CAL | CAV | CAU | 179.5° | 180.0° |
| HAL | CAL | CBB | CBA | 179.6° | 180.0° |
| CBA | CAM | CAY | HAM | 180.0° | 180.0° |
| CBA | CAM | CAY | CAP | 178.8° | 180.0° |
| CBA | CAM | CAY | CAZ | 0.6° | 0.5° |
| CAM | CAY | CAP | CAZ | 178.2° | 179.5° |
| CAM | CAY | CAP | HAP | 10.8° | 143.6° |
| CAM | CAY | CAP | HAPA | 130.8° | 23.6° |
| CAY | CAM | CBA | CBB | 0.9° | 0.7° |
| HAM | CAM | CAY | CAP | 1.2° | 0.0° |
| HAM | CAM | CAY | CAZ | 179.4° | 179.5° |
| HAM | CAM | CBA | CBB | 179.1° | 179.3° |
| CAO | CAN | HAN | HANA | 120.7° | 120.0° |
| CAN | CAO | HAO | HAOA | 117.8° | 120.0° |
| HAN | CAN | CAO | HAO | 60.1° | 175.0° |
| HAN | CAN | CAO | HAOA | 179.9° | 65.0° |
| HANA | CAN | CAO | HAO | 179.9° | 65.0° |
| HANA | CAN | CAO | HAOA | 59.9° | 55.0° |
| CAY | CAP | HAP | HAPA | 116.2° | 120.0° |
| HAP | CAP | CAY | CAZ | 167.4° | 35.9° |
| HAPA | CAP | CAY | CAZ | 47.4° | 155.9° |
