N1Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAL | sing | 1.53Å | 1.58Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
OAB | PAW | doub | 1.52Å | 1.61Å | |
OAD | CAV | sing | 1.43Å | 1.54Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
OAE | HOAE | sing | 0.97Å | 0.95Å | |
OAF | HOAF | sing | 0.97Å | 0.95Å | |
OAH | PAX | doub | 1.52Å | 1.64Å | |
OAC | PAX | sing | 1.61Å | 1.52Å | |
OAC | HOAC | sing | 0.97Å | 0.95Å | |
CAI | CAJ | doub | 1.35Å | 1.34Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | NAT | sing | 1.35Å | 1.33Å | Aromatic |
CAK | NAU | doub | 1.31Å | 1.32Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | CAM | sing | 1.53Å | 1.52Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
CAL | HALA | sing | 1.09Å | 1.10Å | |
CAM | CAN | sing | 1.53Å | 1.55Å | |
CAM | HAM | sing | 1.09Å | 1.10Å | |
CAM | HAMA | sing | 1.09Å | 1.10Å | |
CAN | CAO | sing | 1.53Å | 1.54Å | |
CAN | HAN | sing | 1.09Å | 1.10Å | |
CAN | HANA | sing | 1.09Å | 1.10Å | |
CAO | CAP | sing | 1.53Å | 1.52Å | |
CAO | HAO | sing | 1.09Å | 1.10Å | |
CAO | HAOA | sing | 1.09Å | 1.10Å | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
CAP | HAPA | sing | 1.09Å | 1.10Å | |
CAQ | CAP | sing | 1.53Å | 1.51Å | |
CAQ | CAR | sing | 1.53Å | 1.50Å | |
CAQ | HAQ | sing | 1.09Å | 1.10Å | |
CAQ | HAQA | sing | 1.09Å | 1.10Å | |
CAR | HAR | sing | 1.09Å | 1.10Å | |
CAR | HARA | sing | 1.09Å | 1.10Å | |
CAS | NAT | sing | 1.46Å | 1.38Å | |
CAS | CAV | sing | 1.53Å | 1.55Å | |
CAS | HAS | sing | 1.09Å | 1.10Å | |
CAS | HASA | sing | 1.09Å | 1.10Å | |
NAT | CAI | sing | 1.37Å | 1.32Å | Aromatic |
NAU | CAJ | sing | 1.34Å | 1.31Å | Aromatic |
NAU | CAR | sing | 1.46Å | 1.42Å | |
CAV | PAW | sing | 1.82Å | 1.80Å | |
PAW | OAE | sing | 1.61Å | 1.52Å | |
PAW | OAF | sing | 1.61Å | 1.52Å | |
PAX | OAG | sing | 1.52Å | 1.52Å | |
PAX | CAV | sing | 1.82Å | 1.72Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAL | CAA | HAA | 109.5° | 109.5° |
CAL | CAA | HAAA | 109.4° | 109.5° |
CAL | CAA | HAAB | 109.5° | 109.4° |
CAA | CAL | CAM | 112.2° | 109.4° |
CAA | CAL | HAL | 108.8° | 109.5° |
CAA | CAL | HALA | 108.8° | 109.4° |
HAA | CAA | HAAA | 109.4° | 109.4° |
HAA | CAA | HAAB | 109.5° | 109.5° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
OAB | PAW | CAV | 100.9° | 109.5° |
OAB | PAW | OAE | 107.5° | 109.5° |
OAB | PAW | OAF | 123.3° | 109.5° |
CAV | OAD | HOAD | 109.5° | 114.0° |
OAD | CAV | CAS | 113.9° | 109.5° |
OAD | CAV | PAW | 97.1° | 109.5° |
OAD | CAV | PAX | 104.6° | 109.4° |
HOAE | OAE | PAW | 109.5° | 114.0° |
HOAF | OAF | PAW | 109.5° | 114.1° |
OAH | PAX | OAC | 82.7° | 109.5° |
OAH | PAX | OAG | 126.3° | 109.5° |
OAH | PAX | CAV | 107.3° | 109.5° |
PAX | OAC | HOAC | 109.5° | 114.0° |
OAC | PAX | OAG | 114.1° | 109.4° |
OAC | PAX | CAV | 86.4° | 109.5° |
CAJ | CAI | HAI | 127.1° | 126.6° |
CAI | CAJ | HAJ | 126.0° | 126.0° |
CAJ | CAI | NAT | 105.9° | 106.8° |
CAI | CAJ | NAU | 107.9° | 108.0° |
HAI | CAI | NAT | 127.0° | 126.6° |
HAJ | CAJ | NAU | 126.1° | 126.0° |
NAT | CAK | NAU | 105.1° | 108.7° |
NAT | CAK | HAK | 127.5° | 125.6° |
CAK | NAT | CAS | 126.6° | 126.4° |
CAK | NAT | CAI | 110.9° | 107.2° |
NAU | CAK | HAK | 127.5° | 125.6° |
CAK | NAU | CAJ | 110.2° | 109.2° |
CAK | NAU | CAR | 125.4° | 125.4° |
CAM | CAL | HAL | 108.8° | 109.5° |
CAM | CAL | HALA | 108.8° | 109.5° |
CAL | CAM | CAN | 112.2° | 109.4° |
CAL | CAM | HAM | 108.8° | 109.5° |
CAL | CAM | HAMA | 108.8° | 109.5° |
HAL | CAL | HALA | 109.5° | 109.5° |
CAN | CAM | HAM | 108.8° | 109.5° |
CAN | CAM | HAMA | 108.8° | 109.5° |
CAM | CAN | CAO | 108.8° | 109.4° |
CAM | CAN | HAN | 109.6° | 109.5° |
CAM | CAN | HANA | 109.6° | 109.5° |
HAM | CAM | HAMA | 109.4° | 109.5° |
CAO | CAN | HAN | 109.6° | 109.5° |
CAO | CAN | HANA | 109.6° | 109.5° |
CAN | CAO | CAP | 112.5° | 109.4° |
CAN | CAO | HAO | 108.7° | 109.5° |
CAN | CAO | HAOA | 108.7° | 109.5° |
HAN | CAN | HANA | 109.5° | 109.5° |
CAP | CAO | HAO | 108.7° | 109.5° |
CAP | CAO | HAOA | 108.7° | 109.5° |
CAO | CAP | HAP | 109.9° | 109.5° |
CAO | CAP | HAPA | 109.9° | 109.5° |
CAO | CAP | CAQ | 107.6° | 109.4° |
HAO | CAO | HAOA | 109.5° | 109.5° |
HAP | CAP | HAPA | 109.5° | 109.5° |
HAP | CAP | CAQ | 110.0° | 109.5° |
HAPA | CAP | CAQ | 110.0° | 109.5° |
CAP | CAQ | CAR | 110.8° | 109.4° |
CAP | CAQ | HAQ | 109.1° | 109.5° |
CAP | CAQ | HAQA | 109.2° | 109.5° |
CAR | CAQ | HAQ | 109.1° | 109.4° |
CAR | CAQ | HAQA | 109.1° | 109.4° |
CAQ | CAR | HAR | 109.5° | 109.5° |
CAQ | CAR | HARA | 109.5° | 109.5° |
CAQ | CAR | NAU | 109.4° | 109.5° |
HAQ | CAQ | HAQA | 109.5° | 109.5° |
HAR | CAR | HARA | 109.5° | 109.5° |
HAR | CAR | NAU | 109.5° | 109.5° |
HARA | CAR | NAU | 109.5° | 109.5° |
NAT | CAS | CAV | 113.5° | 109.5° |
NAT | CAS | HAS | 108.5° | 109.5° |
NAT | CAS | HASA | 108.5° | 109.5° |
CAS | NAT | CAI | 122.5° | 126.4° |
CAV | CAS | HAS | 108.4° | 109.4° |
CAV | CAS | HASA | 108.5° | 109.5° |
CAS | CAV | PAW | 119.5° | 109.5° |
CAS | CAV | PAX | 100.5° | 109.5° |
HAS | CAS | HASA | 109.5° | 109.5° |
CAJ | NAU | CAR | 124.3° | 125.4° |
CAV | PAW | OAE | 122.2° | 109.5° |
CAV | PAW | OAF | 106.8° | 109.4° |
PAW | CAV | PAX | 120.9° | 109.5° |
OAE | PAW | OAF | 97.9° | 109.5° |
OAG | PAX | CAV | 123.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAL | CAA | HAA | HAAA | 120.0° | 120.0° |
CAL | CAA | HAA | HAAB | 120.1° | 120.0° |
CAL | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAA | CAL | CAM | HAL | 120.4° | 120.0° |
CAA | CAL | CAM | HALA | 120.4° | 120.0° |
CAA | CAL | HAL | HALA | 118.7° | 120.0° |
CAA | CAL | CAM | CAN | 119.3° | 180.0° |
CAA | CAL | CAM | HAM | 120.3° | 60.0° |
CAA | CAL | CAM | HAMA | 1.1° | 60.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
HAA | CAA | CAL | CAM | 180.0° | 180.0° |
HAA | CAA | CAL | HAL | 59.6° | 60.0° |
HAA | CAA | CAL | HALA | 59.6° | 60.0° |
HAAA | CAA | CAL | CAM | 60.0° | 60.0° |
HAAA | CAA | CAL | HAL | 60.4° | 60.0° |
HAAA | CAA | CAL | HALA | 179.6° | 180.0° |
HAAB | CAA | CAL | CAM | 60.0° | 60.0° |
HAAB | CAA | CAL | HAL | 179.6° | 180.0° |
HAAB | CAA | CAL | HALA | 60.4° | 60.1° |
OAB | PAW | CAV | OAD | 25.7° | 180.0° |
OAB | PAW | OAE | HOAE | 0.0° | 60.0° |
OAB | PAW | OAF | HOAF | 0.0° | 180.0° |
OAB | PAW | CAV | CAS | 97.0° | 60.0° |
OAB | PAW | CAV | OAE | 118.9° | 120.0° |
OAB | PAW | CAV | OAF | 129.9° | 120.0° |
OAB | PAW | OAE | OAF | 128.6° | 120.0° |
OAB | PAW | CAV | PAX | 137.4° | 60.0° |
OAD | CAV | PAX | OAH | 105.4° | 60.0° |
OAD | CAV | PAX | OAC | 24.3° | 180.0° |
OAD | CAV | CAS | NAT | 122.2° | 60.0° |
OAD | CAV | CAS | PAW | 113.9° | 120.0° |
OAD | CAV | CAS | PAX | 111.2° | 120.0° |
OAD | CAV | CAS | HAS | 117.2° | 180.0° |
OAD | CAV | CAS | HASA | 1.6° | 60.0° |
OAD | CAV | PAW | PAX | 111.8° | 120.0° |
OAD | CAV | PAW | OAE | 144.6° | 60.0° |
OAD | CAV | PAW | OAF | 104.3° | 60.0° |
OAD | CAV | PAX | OAG | 92.4° | 60.0° |
HOAD | OAD | CAV | CAS | 110.0° | 60.0° |
HOAD | OAD | CAV | PAW | 16.7° | 60.0° |
HOAD | OAD | CAV | PAX | 141.3° | 180.0° |
HOAE | OAE | PAW | CAV | 115.7° | 180.0° |
HOAE | OAE | PAW | OAF | 128.6° | 60.0° |
HOAF | OAF | PAW | CAV | 115.8° | 60.0° |
HOAF | OAF | PAW | OAE | 117.0° | 59.9° |
OAH | PAX | OAC | OAG | 126.6° | 120.0° |
OAH | PAX | OAC | CAV | 108.0° | 120.0° |
OAH | PAX | OAC | HOAC | 0.0° | 60.0° |
OAH | PAX | CAV | CAS | 12.8° | 180.0° |
OAH | PAX | CAV | PAW | 146.8° | 60.0° |
OAH | PAX | OAG | CAV | 158.7° | 120.0° |
OAC | PAX | CAV | CAS | 94.0° | 60.0° |
OAC | PAX | CAV | PAW | 132.0° | 60.0° |
OAC | PAX | OAG | CAV | 102.4° | 120.0° |
HOAC | OAC | PAX | OAG | 126.6° | 60.0° |
HOAC | OAC | PAX | CAV | 107.9° | 180.0° |
CAJ | CAI | HAI | NAT | 180.0° | 179.7° |
CAI | CAJ | HAJ | NAU | 180.0° | 180.0° |
CAJ | CAI | NAT | CAK | 0.0° | 0.0° |
CAI | CAJ | NAU | CAK | 0.2° | 0.4° |
CAJ | CAI | NAT | CAS | 178.8° | 179.8° |
CAI | CAJ | NAU | CAR | 177.1° | 180.0° |
HAI | CAI | CAJ | HAJ | 0.1° | 0.0° |
HAI | CAI | NAT | CAK | 180.0° | 179.8° |
HAI | CAI | NAT | CAS | 1.2° | 0.1° |
HAI | CAI | CAJ | NAU | 179.9° | 180.0° |
HAJ | CAJ | NAU | CAK | 179.8° | 179.6° |
HAJ | CAJ | CAI | NAT | 179.9° | 179.7° |
HAJ | CAJ | NAU | CAR | 2.9° | 0.0° |
NAT | CAK | NAU | HAK | 180.0° | 179.9° |
CAK | NAT | CAS | CAI | 178.7° | 179.8° |
CAK | NAT | CAS | CAV | 100.0° | 90.1° |
CAK | NAT | CAS | HAS | 139.4° | 150.0° |
CAK | NAT | CAS | HASA | 20.6° | 29.9° |
NAT | CAK | NAU | CAJ | 0.2° | 0.3° |
NAT | CAK | NAU | CAR | 177.1° | 180.0° |
CAK | NAU | CAR | CAQ | 47.1° | 90.0° |
CAK | NAU | CAR | HAR | 72.9° | 30.0° |
CAK | NAU | CAR | HARA | 167.1° | 150.0° |
NAU | CAK | NAT | CAS | 178.9° | 180.0° |
NAU | CAK | NAT | CAI | 0.1° | 0.2° |
CAK | NAU | CAJ | CAR | 177.3° | 179.7° |
HAK | CAK | NAT | CAS | 1.1° | 0.1° |
HAK | CAK | NAT | CAI | 179.8° | 179.7° |
HAK | CAK | NAU | CAJ | 179.8° | 179.5° |
HAK | CAK | NAU | CAR | 2.9° | 0.1° |
CAM | CAL | HAL | HALA | 118.8° | 120.1° |
CAL | CAM | CAN | HAM | 120.4° | 120.0° |
CAL | CAM | CAN | HAMA | 120.4° | 120.0° |
CAL | CAM | HAM | HAMA | 118.7° | 120.0° |
CAL | CAM | CAN | CAO | 177.1° | 180.0° |
CAL | CAM | CAN | HAN | 57.2° | 60.0° |
CAL | CAM | CAN | HANA | 62.9° | 60.0° |
HAL | CAL | CAM | CAN | 1.1° | 60.0° |
HAL | CAL | CAM | HAM | 119.3° | 180.0° |
HAL | CAL | CAM | HAMA | 121.5° | 60.0° |
HALA | CAL | CAM | CAN | 120.3° | 60.0° |
HALA | CAL | CAM | HAM | 0.2° | 60.0° |
HALA | CAL | CAM | HAMA | 119.3° | 180.0° |
CAN | CAM | HAM | HAMA | 118.7° | 120.0° |
CAM | CAN | CAO | HAN | 119.9° | 120.0° |
CAM | CAN | CAO | HANA | 119.9° | 120.0° |
CAM | CAN | HAN | HANA | 120.3° | 120.0° |
CAM | CAN | CAO | CAP | 132.0° | 180.0° |
CAM | CAN | CAO | HAO | 11.5° | 60.0° |
CAM | CAN | CAO | HAOA | 107.5° | 60.0° |
HAM | CAM | CAN | CAO | 62.4° | 60.0° |
HAM | CAM | CAN | HAN | 177.6° | 180.0° |
HAM | CAM | CAN | HANA | 57.5° | 60.0° |
HAMA | CAM | CAN | CAO | 56.7° | 60.0° |
HAMA | CAM | CAN | HAN | 63.2° | 60.0° |
HAMA | CAM | CAN | HANA | 176.6° | 180.0° |
CAO | CAN | HAN | HANA | 120.3° | 120.0° |
CAN | CAO | CAP | HAO | 120.5° | 120.0° |
CAN | CAO | CAP | HAOA | 120.5° | 120.0° |
CAN | CAO | HAO | HAOA | 118.6° | 120.0° |
CAN | CAO | CAP | HAP | 68.7° | 60.0° |
CAN | CAO | CAP | HAPA | 51.8° | 60.0° |
CAN | CAO | CAP | CAQ | 171.5° | 180.0° |
HAN | CAN | CAO | CAP | 108.1° | 60.0° |
HAN | CAN | CAO | HAO | 131.5° | 180.0° |
HAN | CAN | CAO | HAOA | 12.4° | 60.0° |
HANA | CAN | CAO | CAP | 12.1° | 60.0° |
HANA | CAN | CAO | HAO | 108.3° | 60.0° |
HANA | CAN | CAO | HAOA | 132.6° | 180.0° |
CAP | CAO | HAO | HAOA | 118.6° | 120.0° |
CAO | CAP | HAP | HAPA | 120.8° | 120.0° |
CAO | CAP | HAP | CAQ | 118.3° | 119.9° |
CAO | CAP | HAPA | CAQ | 118.3° | 120.0° |
CAO | CAP | CAQ | CAR | 170.5° | 180.0° |
CAO | CAP | CAQ | HAQ | 69.3° | 60.0° |
CAO | CAP | CAQ | HAQA | 50.3° | 60.0° |
HAO | CAO | CAP | HAP | 170.8° | 180.0° |
HAO | CAO | CAP | HAPA | 68.6° | 60.0° |
HAO | CAO | CAP | CAQ | 51.1° | 60.0° |
HAOA | CAO | CAP | HAP | 51.7° | 60.0° |
HAOA | CAO | CAP | HAPA | 172.3° | 180.0° |
HAOA | CAO | CAP | CAQ | 68.0° | 60.0° |
HAP | CAP | HAPA | CAQ | 120.9° | 120.0° |
HAP | CAP | CAQ | CAR | 50.8° | 60.0° |
HAP | CAP | CAQ | HAQ | 171.0° | 180.0° |
HAP | CAP | CAQ | HAQA | 69.4° | 60.0° |
HAPA | CAP | CAQ | CAR | 69.8° | 60.0° |
HAPA | CAP | CAQ | HAQ | 50.4° | 60.0° |
HAPA | CAP | CAQ | HAQA | 170.0° | 180.0° |
CAP | CAQ | CAR | HAQ | 120.2° | 120.0° |
CAP | CAQ | CAR | HAQA | 120.2° | 120.0° |
CAP | CAQ | HAQ | HAQA | 119.4° | 120.1° |
CAP | CAQ | CAR | HAR | 2.9° | 60.0° |
CAP | CAQ | CAR | HARA | 122.9° | 60.0° |
CAP | CAQ | CAR | NAU | 117.1° | 180.0° |
CAR | CAQ | HAQ | HAQA | 119.4° | 119.9° |
CAQ | CAR | HAR | HARA | 120.1° | 120.0° |
CAQ | CAR | HAR | NAU | 119.9° | 120.0° |
CAQ | CAR | HARA | NAU | 119.9° | 120.0° |
CAQ | CAR | NAU | CAJ | 135.9° | 90.4° |
HAQ | CAQ | CAR | HAR | 117.3° | 180.0° |
HAQ | CAQ | CAR | HARA | 2.7° | 60.0° |
HAQ | CAQ | CAR | NAU | 122.7° | 60.0° |
HAQA | CAQ | CAR | HAR | 123.1° | 60.0° |
HAQA | CAQ | CAR | HARA | 116.8° | 180.0° |
HAQA | CAQ | CAR | NAU | 3.1° | 60.0° |
HAR | CAR | HARA | NAU | 120.0° | 120.0° |
HAR | CAR | NAU | CAJ | 104.1° | 149.6° |
HARA | CAR | NAU | CAJ | 16.0° | 29.6° |
NAT | CAS | CAV | HAS | 120.6° | 120.0° |
NAT | CAS | CAV | HASA | 120.6° | 120.0° |
NAT | CAS | HAS | HASA | 118.2° | 120.0° |
NAT | CAS | CAV | PAW | 8.3° | 180.0° |
NAT | CAS | CAV | PAX | 126.5° | 60.0° |
CAV | CAS | HAS | HASA | 118.2° | 120.0° |
CAV | CAS | NAT | CAI | 81.3° | 89.7° |
CAS | CAV | PAW | PAX | 125.6° | 120.0° |
CAS | CAV | PAW | OAE | 21.9° | 180.0° |
CAS | CAV | PAW | OAF | 133.1° | 60.0° |
CAS | CAV | PAX | OAG | 149.3° | 59.9° |
HAS | CAS | NAT | CAI | 39.2° | 30.2° |
HAS | CAS | CAV | PAW | 128.9° | 60.0° |
HAS | CAS | CAV | PAX | 5.9° | 60.0° |
HASA | CAS | NAT | CAI | 158.1° | 150.3° |
HASA | CAS | CAV | PAW | 112.3° | 60.0° |
HASA | CAS | CAV | PAX | 112.9° | 180.0° |
NAT | CAI | CAJ | NAU | 0.1° | 0.2° |
CAV | PAW | OAE | OAF | 115.7° | 120.0° |
PAW | CAV | PAX | OAG | 15.3° | 180.0° |
OAE | PAW | CAV | PAX | 103.7° | 60.0° |
OAF | PAW | CAV | PAX | 7.5° | 180.0° |