Z78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CAX | sing | 1.34Å | 1.36Å | |
| N1 | CAZ | sing | 1.38Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | CAO | sing | 1.47Å | 1.43Å | |
| N2 | CAP | sing | 1.47Å | 1.43Å | |
| N2 | CAS | sing | 1.35Å | 1.31Å | |
| N3 | CAS | sing | 1.35Å | 1.30Å | |
| N3 | CAW | sing | 1.40Å | 1.34Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| CAA | CAT | sing | 1.51Å | 1.48Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | CAS | doub | 1.22Å | 1.22Å | |
| OAC | CAX | doub | 1.22Å | 1.25Å | |
| OAD | CAN | sing | 1.43Å | 1.43Å | |
| FAE | CAU | sing | 1.35Å | 1.31Å | |
| CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAU | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAW | doub | 1.39Å | 1.42Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAZ | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAT | doub | 1.37Å | 1.41Å | Aromatic |
| CAL | CAY | sing | 1.40Å | 1.41Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAV | doub | 1.36Å | 1.42Å | |
| CAM | CAY | sing | 1.46Å | 1.41Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAO | sing | 1.53Å | 1.55Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAP | CAV | sing | 1.51Å | 1.50Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAU | CAW | sing | 1.39Å | 1.42Å | Aromatic |
| CAV | CAX | sing | 1.41Å | 1.42Å | |
| CAY | CAZ | doub | 1.41Å | 1.42Å | Aromatic |
| OAD | H19 | sing | 0.97Å | 0.95Å | |
| CAN | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | N1 | CAZ | 122.6° | 121.0° |
| CAX | N1 | HN1 | 118.6° | 119.5° |
| N1 | CAX | OAC | 117.3° | 119.2° |
| N1 | CAX | CAV | 120.7° | 121.6° |
| CAZ | N1 | HN1 | 118.7° | 119.5° |
| N1 | CAZ | CAK | 120.2° | 120.9° |
| N1 | CAZ | CAY | 119.9° | 119.6° |
| CAO | N2 | CAP | 118.5° | 120.0° |
| CAO | N2 | CAS | 119.9° | 120.0° |
| N2 | CAO | CAN | 119.6° | 109.4° |
| N2 | CAO | HAO | 106.2° | 109.5° |
| N2 | CAO | HAOA | 106.2° | 109.5° |
| CAP | N2 | CAS | 120.9° | 120.0° |
| N2 | CAP | CAV | 117.9° | 109.4° |
| N2 | CAP | HAP | 106.7° | 109.5° |
| N2 | CAP | HAPA | 106.8° | 109.5° |
| N2 | CAS | N3 | 127.7° | 120.0° |
| N2 | CAS | OAB | 117.0° | 120.0° |
| CAS | N3 | CAW | 131.9° | 120.0° |
| CAS | N3 | HN3 | 114.1° | 120.0° |
| N3 | CAS | OAB | 115.1° | 120.0° |
| CAW | N3 | HN3 | 114.0° | 119.9° |
| N3 | CAW | CAI | 125.6° | 120.1° |
| N3 | CAW | CAU | 116.4° | 120.1° |
| CAT | CAA | HAA | 109.5° | 109.5° |
| CAT | CAA | HAAA | 109.5° | 109.5° |
| CAT | CAA | HAAB | 109.5° | 109.4° |
| CAA | CAT | CAJ | 121.6° | 119.7° |
| CAA | CAT | CAL | 119.7° | 119.7° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| OAC | CAX | CAV | 122.0° | 119.1° |
| OAD | CAN | CAO | 109.3° | 109.5° |
| OAD | CAN | HAN | 109.5° | 109.5° |
| CAN | OAD | H19 | 109.5° | 114.0° |
| OAD | CAN | H20 | 109.5° | 109.4° |
| FAE | CAU | CAH | 117.7° | 120.1° |
| FAE | CAU | CAW | 121.2° | 120.0° |
| CAG | CAF | CAH | 119.8° | 120.1° |
| CAG | CAF | HAF | 120.1° | 120.0° |
| CAF | CAG | CAI | 120.3° | 120.2° |
| CAF | CAG | HAG | 119.8° | 119.9° |
| CAH | CAF | HAF | 120.1° | 119.9° |
| CAF | CAH | CAU | 120.0° | 120.1° |
| CAF | CAH | HAH | 120.0° | 120.0° |
| CAI | CAG | HAG | 119.9° | 119.9° |
| CAG | CAI | CAW | 120.8° | 120.0° |
| CAG | CAI | HAI | 119.6° | 120.1° |
| CAU | CAH | HAH | 120.0° | 120.0° |
| CAH | CAU | CAW | 121.0° | 119.9° |
| CAW | CAI | HAI | 119.6° | 120.0° |
| CAI | CAW | CAU | 118.0° | 119.8° |
| CAK | CAJ | CAT | 120.9° | 120.7° |
| CAK | CAJ | HAJ | 119.6° | 119.7° |
| CAJ | CAK | CAZ | 120.1° | 119.7° |
| CAJ | CAK | HAK | 120.0° | 120.1° |
| CAT | CAJ | HAJ | 119.6° | 119.7° |
| CAJ | CAT | CAL | 118.7° | 120.6° |
| CAZ | CAK | HAK | 120.0° | 120.2° |
| CAK | CAZ | CAY | 119.9° | 119.5° |
| CAT | CAL | CAY | 121.0° | 119.8° |
| CAT | CAL | HAL | 119.5° | 120.1° |
| CAY | CAL | HAL | 119.5° | 120.1° |
| CAL | CAY | CAM | 122.4° | 121.2° |
| CAL | CAY | CAZ | 119.4° | 119.8° |
| CAV | CAM | CAY | 121.1° | 118.5° |
| CAV | CAM | HAM | 119.4° | 120.8° |
| CAM | CAV | CAP | 121.0° | 119.8° |
| CAM | CAV | CAX | 117.4° | 120.3° |
| CAY | CAM | HAM | 119.5° | 120.7° |
| CAM | CAY | CAZ | 118.2° | 119.0° |
| CAO | CAN | HAN | 109.5° | 109.5° |
| CAN | CAO | HAO | 106.3° | 109.5° |
| CAN | CAO | HAOA | 106.2° | 109.4° |
| CAO | CAN | H20 | 109.5° | 109.4° |
| HAN | CAN | H20 | 109.4° | 109.5° |
| HAO | CAO | HAOA | 112.5° | 109.5° |
| CAV | CAP | HAP | 106.7° | 109.5° |
| CAV | CAP | HAPA | 106.7° | 109.4° |
| CAP | CAV | CAX | 121.6° | 119.9° |
| HAP | CAP | HAPA | 112.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | N1 | CAZ | HN1 | 180.0° | 179.8° |
| N1 | CAX | OAC | CAV | 179.7° | 180.0° |
| CAX | N1 | CAZ | CAK | 178.4° | 180.0° |
| N1 | CAX | CAV | CAM | 1.7° | 0.1° |
| N1 | CAX | CAV | CAP | 176.6° | 180.0° |
| CAX | N1 | CAZ | CAY | 1.3° | 0.0° |
| CAZ | N1 | CAX | OAC | 179.3° | 180.0° |
| N1 | CAZ | CAK | CAJ | 180.0° | 180.0° |
| N1 | CAZ | CAK | CAY | 179.7° | 180.0° |
| N1 | CAZ | CAK | HAK | 0.0° | 0.1° |
| N1 | CAZ | CAY | CAL | 179.5° | 180.0° |
| N1 | CAZ | CAY | CAM | 0.2° | 0.1° |
| CAZ | N1 | CAX | CAV | 0.3° | 0.0° |
| HN1 | N1 | CAX | OAC | 0.7° | 0.2° |
| HN1 | N1 | CAZ | CAK | 1.6° | 0.2° |
| HN1 | N1 | CAX | CAV | 179.7° | 179.8° |
| HN1 | N1 | CAZ | CAY | 178.7° | 179.7° |
| CAO | N2 | CAP | CAS | 170.2° | 180.0° |
| CAO | N2 | CAS | N3 | 115.2° | 0.0° |
| CAO | N2 | CAS | OAB | 69.9° | 180.0° |
| N2 | CAO | CAN | OAD | 173.1° | 65.1° |
| N2 | CAO | CAN | HAO | 120.0° | 120.0° |
| N2 | CAO | CAN | HAOA | 120.0° | 120.0° |
| N2 | CAO | CAN | HAN | 67.0° | 55.0° |
| N2 | CAO | HAO | HAOA | 115.8° | 120.1° |
| CAO | N2 | CAP | CAV | 155.5° | 90.0° |
| CAO | N2 | CAP | HAP | 35.5° | 150.0° |
| CAO | N2 | CAP | HAPA | 84.5° | 30.0° |
| N2 | CAO | CAN | H20 | 53.1° | 175.0° |
| CAP | N2 | CAS | N3 | 74.6° | 180.0° |
| CAP | N2 | CAS | OAB | 100.2° | 0.0° |
| N2 | CAP | CAV | CAM | 99.0° | 95.1° |
| CAP | N2 | CAO | CAN | 168.9° | 90.0° |
| CAP | N2 | CAO | HAO | 71.1° | 150.1° |
| CAP | N2 | CAO | HAOA | 48.9° | 30.0° |
| N2 | CAP | CAV | HAP | 120.0° | 120.0° |
| N2 | CAP | CAV | HAPA | 120.0° | 120.0° |
| N2 | CAP | HAP | HAPA | 116.5° | 120.0° |
| N2 | CAP | CAV | CAX | 79.3° | 85.1° |
| N2 | CAS | N3 | OAB | 175.0° | 180.0° |
| N2 | CAS | N3 | CAW | 12.1° | 174.4° |
| N2 | CAS | N3 | HN3 | 167.9° | 5.6° |
| CAS | N2 | CAO | CAN | 20.8° | 90.0° |
| CAS | N2 | CAO | HAO | 99.3° | 30.0° |
| CAS | N2 | CAO | HAOA | 140.8° | 150.0° |
| CAS | N2 | CAP | CAV | 34.3° | 90.0° |
| CAS | N2 | CAP | HAP | 154.3° | 30.0° |
| CAS | N2 | CAP | HAPA | 85.7° | 150.0° |
| CAS | N3 | CAW | HN3 | 180.0° | 180.0° |
| CAS | N3 | CAW | CAI | 22.3° | 24.8° |
| CAS | N3 | CAW | CAU | 158.3° | 155.2° |
| CAW | N3 | CAS | OAB | 172.9° | 5.6° |
| N3 | CAW | CAU | FAE | 0.8° | 0.0° |
| N3 | CAW | CAI | CAG | 179.6° | 180.0° |
| N3 | CAW | CAU | CAH | 179.4° | 179.9° |
| N3 | CAW | CAI | CAU | 179.4° | 180.0° |
| N3 | CAW | CAI | HAI | 0.4° | 0.0° |
| HN3 | N3 | CAS | OAB | 7.1° | 174.4° |
| HN3 | N3 | CAW | CAI | 157.7° | 155.2° |
| HN3 | N3 | CAW | CAU | 21.7° | 24.8° |
| CAT | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAT | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAT | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | CAT | CAJ | CAK | 179.8° | 180.0° |
| CAA | CAT | CAJ | CAL | 179.9° | 180.0° |
| CAA | CAT | CAJ | HAJ | 0.2° | 0.0° |
| CAA | CAT | CAL | CAY | 179.7° | 180.0° |
| CAA | CAT | CAL | HAL | 0.3° | 0.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAT | CAJ | 89.9° | 90.0° |
| HAA | CAA | CAT | CAL | 90.0° | 90.0° |
| HAAA | CAA | CAT | CAJ | 150.1° | 150.0° |
| HAAA | CAA | CAT | CAL | 30.0° | 30.1° |
| HAAB | CAA | CAT | CAJ | 30.1° | 30.1° |
| HAAB | CAA | CAT | CAL | 150.0° | 150.0° |
| OAC | CAX | CAV | CAM | 178.6° | 179.9° |
| OAC | CAX | CAV | CAP | 3.0° | 0.0° |
| OAD | CAN | CAO | HAN | 120.0° | 120.1° |
| OAD | CAN | CAO | H20 | 120.0° | 119.9° |
| OAD | CAN | HAN | H20 | 120.1° | 120.0° |
| OAD | CAN | CAO | HAO | 66.9° | 54.9° |
| OAD | CAN | CAO | HAOA | 53.1° | 175.0° |
| FAE | CAU | CAH | CAF | 179.1° | 180.0° |
| FAE | CAU | CAH | CAW | 179.8° | 180.0° |
| FAE | CAU | CAH | HAH | 0.8° | 0.0° |
| FAE | CAU | CAW | CAI | 178.7° | 180.0° |
| CAG | CAF | CAH | HAF | 180.0° | 179.7° |
| CAF | CAG | CAI | HAG | 180.0° | 180.0° |
| CAG | CAF | CAH | CAU | 0.0° | 0.0° |
| CAG | CAF | CAH | HAH | 180.0° | 179.9° |
| CAF | CAG | CAI | CAW | 0.4° | 0.0° |
| CAF | CAG | CAI | HAI | 179.6° | 180.0° |
| CAH | CAF | CAG | CAI | 0.1° | 0.0° |
| CAH | CAF | CAG | HAG | 179.9° | 180.0° |
| CAF | CAH | CAU | HAH | 180.0° | 179.9° |
| CAF | CAH | CAU | CAW | 0.7° | 0.0° |
| HAF | CAF | CAG | CAI | 179.9° | 179.8° |
| HAF | CAF | CAG | HAG | 0.1° | 0.3° |
| HAF | CAF | CAH | CAU | 179.9° | 179.7° |
| HAF | CAF | CAH | HAH | 0.0° | 0.2° |
| CAG | CAI | CAW | HAI | 180.0° | 180.0° |
| CAG | CAI | CAW | CAU | 1.0° | 0.0° |
| HAG | CAG | CAI | CAW | 179.6° | 180.0° |
| HAG | CAG | CAI | HAI | 0.4° | 0.0° |
| CAH | CAU | CAW | CAI | 1.1° | 0.0° |
| HAH | CAH | CAU | CAW | 179.3° | 180.0° |
| HAI | CAI | CAW | CAU | 179.0° | 180.0° |
| CAK | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAJ | CAK | CAZ | HAK | 180.0° | 180.0° |
| CAK | CAJ | CAT | CAL | 0.1° | 0.0° |
| CAJ | CAK | CAZ | CAY | 0.3° | 0.0° |
| CAT | CAJ | CAK | CAZ | 0.5° | 0.0° |
| CAT | CAJ | CAK | HAK | 179.5° | 180.0° |
| CAJ | CAT | CAL | CAY | 0.4° | 0.1° |
| CAJ | CAT | CAL | HAL | 179.6° | 180.0° |
| HAJ | CAJ | CAK | CAZ | 179.5° | 180.0° |
| HAJ | CAJ | CAK | HAK | 0.5° | 0.0° |
| HAJ | CAJ | CAT | CAL | 179.9° | 179.9° |
| CAK | CAZ | CAY | CAL | 0.2° | 0.0° |
| CAK | CAZ | CAY | CAM | 179.5° | 179.9° |
| HAK | CAK | CAZ | CAY | 179.7° | 180.0° |
| CAT | CAL | CAY | HAL | 180.0° | 179.9° |
| CAT | CAL | CAY | CAM | 179.8° | 179.9° |
| CAT | CAL | CAY | CAZ | 0.5° | 0.1° |
| CAL | CAY | CAM | CAV | 177.4° | 179.9° |
| CAL | CAY | CAM | CAZ | 179.3° | 179.9° |
| CAL | CAY | CAM | HAM | 2.6° | 0.1° |
| HAL | CAL | CAY | CAM | 0.2° | 0.1° |
| HAL | CAL | CAY | CAZ | 179.4° | 180.0° |
| CAV | CAM | CAY | HAM | 180.0° | 179.9° |
| CAM | CAV | CAP | CAX | 178.3° | 179.9° |
| CAM | CAV | CAP | HAP | 21.0° | 24.9° |
| CAM | CAV | CAP | HAPA | 141.0° | 145.0° |
| CAV | CAM | CAY | CAZ | 1.9° | 0.1° |
| CAY | CAM | CAV | CAP | 175.5° | 180.0° |
| CAY | CAM | CAV | CAX | 2.8° | 0.1° |
| HAM | CAM | CAV | CAP | 4.5° | 0.1° |
| HAM | CAM | CAV | CAX | 177.2° | 180.0° |
| HAM | CAM | CAY | CAZ | 178.1° | 180.0° |
| CAO | CAN | HAN | H20 | 120.1° | 120.0° |
| CAN | CAO | HAO | HAOA | 115.8° | 120.0° |
| CAO | CAN | OAD | H19 | 180.0° | 180.0° |
| HAN | CAN | CAO | HAO | 53.1° | 175.0° |
| HAN | CAN | CAO | HAOA | 173.1° | 65.0° |
| HAN | CAN | OAD | H19 | 60.0° | 59.9° |
| HAO | CAO | CAN | H20 | 173.1° | 65.0° |
| HAOA | CAO | CAN | H20 | 66.9° | 55.1° |
| CAV | CAP | HAP | HAPA | 116.5° | 120.0° |
| HAP | CAP | CAV | CAX | 160.7° | 154.9° |
| HAPA | CAP | CAV | CAX | 40.7° | 34.9° |
| H19 | OAD | CAN | H20 | 60.0° | 60.1° |
