PJ2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAK | sing | 1.53Å | 1.51Å | |
OAB | CAT | doub | 1.21Å | 1.22Å | |
OAC | CAU | doub | 1.22Å | 1.23Å | |
OAD | CAT | sing | 1.34Å | 1.24Å | |
OAE | CAW | sing | 1.43Å | 1.36Å | |
CAF | CAG | doub | 1.31Å | 1.37Å | |
CAF | CAL | sing | 1.51Å | 1.39Å | |
CAG | CAM | sing | 1.51Å | 1.34Å | |
CAH | CAI | doub | 1.32Å | 1.32Å | |
CAH | CAU | sing | 1.47Å | 1.33Å | |
CAI | CAX | sing | 1.51Å | 1.46Å | |
CAJ | CAN | sing | 1.51Å | 1.41Å | |
CAJ | CAV | doub | 1.33Å | 1.39Å | |
CAK | CAO | sing | 1.53Å | 1.53Å | |
CAL | CAP | sing | 1.53Å | 1.56Å | |
CAM | CAX | sing | 1.53Å | 1.48Å | |
CAN | CAW | sing | 1.53Å | 1.54Å | |
CAO | CAQ | sing | 1.53Å | 1.53Å | |
CAP | CAR | sing | 1.53Å | 1.51Å | |
CAQ | CAS | sing | 1.53Å | 1.54Å | |
CAR | CAT | sing | 1.51Å | 1.50Å | |
CAS | CAW | sing | 1.53Å | 1.49Å | |
CAU | CAV | sing | 1.48Å | 1.35Å | |
CAV | CAX | sing | 1.51Å | 1.50Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
OAE | HOAE | sing | 0.97Å | 0.95Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAK | HAKA | sing | 1.09Å | 1.10Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
CAL | HALA | sing | 1.09Å | 1.10Å | |
CAM | HAM | sing | 1.09Å | 1.10Å | |
CAM | HAMA | sing | 1.09Å | 1.10Å | |
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 | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
CAP | HAPA | sing | 1.09Å | 1.10Å | |
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 | HAS | sing | 1.09Å | 1.10Å | |
CAS | HASA | sing | 1.09Å | 1.10Å | |
CAW | HAW | sing | 1.09Å | 1.10Å | |
CAX | HAX | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAK | CAO | 115.2° | 109.4° |
CAK | CAA | HAA | 109.5° | 109.5° |
CAK | CAA | HAAA | 109.5° | 109.5° |
CAK | CAA | HAAB | 109.4° | 109.5° |
CAA | CAK | HAK | 107.6° | 109.5° |
CAA | CAK | HAKA | 107.6° | 109.5° |
OAB | CAT | OAD | 126.0° | 120.0° |
OAB | CAT | CAR | 114.2° | 120.0° |
OAC | CAU | CAH | 129.4° | 126.0° |
OAC | CAU | CAV | 119.5° | 126.0° |
OAD | CAT | CAR | 119.7° | 120.0° |
CAT | OAD | HOAD | 109.5° | 117.0° |
OAE | CAW | CAN | 105.9° | 109.4° |
OAE | CAW | CAS | 103.0° | 109.4° |
CAW | OAE | HOAE | 109.5° | 114.0° |
OAE | CAW | HAW | 120.0° | 109.5° |
CAG | CAF | CAL | 130.4° | 120.0° |
CAF | CAG | CAM | 117.4° | 120.0° |
CAG | CAF | HAF | 114.8° | 120.0° |
CAF | CAG | HAG | 121.3° | 120.0° |
CAF | CAL | CAP | 107.0° | 109.5° |
CAL | CAF | HAF | 114.8° | 120.1° |
CAF | CAL | HAL | 110.3° | 109.4° |
CAF | CAL | HALA | 110.3° | 109.5° |
CAG | CAM | CAX | 108.9° | 109.5° |
CAM | CAG | HAG | 121.3° | 120.0° |
CAG | CAM | HAM | 109.7° | 109.5° |
CAG | CAM | HAMA | 109.7° | 109.5° |
CAI | CAH | CAU | 112.2° | 111.5° |
CAH | CAI | CAX | 107.3° | 109.7° |
CAI | CAH | HAH | 123.9° | 124.2° |
CAH | CAI | HAI | 126.4° | 125.2° |
CAH | CAU | CAV | 111.1° | 108.0° |
CAU | CAH | HAH | 123.9° | 124.3° |
CAI | CAX | CAM | 101.1° | 110.1° |
CAI | CAX | CAV | 102.9° | 105.9° |
CAX | CAI | HAI | 126.4° | 125.1° |
CAI | CAX | HAX | 117.5° | 110.2° |
CAN | CAJ | CAV | 126.4° | 120.0° |
CAJ | CAN | CAW | 109.2° | 109.4° |
CAN | CAJ | HAJ | 116.8° | 120.0° |
CAJ | CAN | HAN | 109.6° | 109.5° |
CAJ | CAN | HANA | 109.6° | 109.5° |
CAJ | CAV | CAU | 120.9° | 127.5° |
CAJ | CAV | CAX | 133.1° | 127.5° |
CAV | CAJ | HAJ | 116.8° | 120.0° |
CAK | CAO | CAQ | 117.0° | 109.5° |
CAO | CAK | HAK | 107.6° | 109.4° |
CAO | CAK | HAKA | 107.6° | 109.5° |
CAK | CAO | HAO | 107.0° | 109.5° |
CAK | CAO | HAOA | 107.0° | 109.5° |
CAL | CAP | CAR | 117.4° | 109.5° |
CAP | CAL | HAL | 110.3° | 109.5° |
CAP | CAL | HALA | 110.3° | 109.5° |
CAL | CAP | HAP | 106.9° | 109.4° |
CAL | CAP | HAPA | 106.9° | 109.4° |
CAM | CAX | CAV | 106.6° | 110.2° |
CAX | CAM | HAM | 109.7° | 109.5° |
CAX | CAM | HAMA | 109.7° | 109.5° |
CAM | CAX | HAX | 114.4° | 110.1° |
CAN | CAW | CAS | 119.9° | 109.5° |
CAW | CAN | HAN | 109.6° | 109.5° |
CAW | CAN | HANA | 109.5° | 109.4° |
CAN | CAW | HAW | 103.1° | 109.5° |
CAO | CAQ | CAS | 116.8° | 109.5° |
CAQ | CAO | HAO | 107.0° | 109.4° |
CAQ | CAO | HAOA | 107.1° | 109.4° |
CAO | CAQ | HAQ | 107.1° | 109.4° |
CAO | CAQ | HAQA | 107.1° | 109.4° |
CAP | CAR | CAT | 101.6° | 109.5° |
CAR | CAP | HAP | 106.9° | 109.5° |
CAR | CAP | HAPA | 106.9° | 109.5° |
CAP | CAR | HAR | 112.2° | 109.5° |
CAP | CAR | HARA | 112.2° | 109.4° |
CAQ | CAS | CAW | 111.5° | 109.5° |
CAS | CAQ | HAQ | 107.1° | 109.5° |
CAS | CAQ | HAQA | 107.1° | 109.5° |
CAQ | CAS | HAS | 108.8° | 109.4° |
CAQ | CAS | HASA | 108.8° | 109.5° |
CAT | CAR | HAR | 112.1° | 109.5° |
CAT | CAR | HARA | 112.1° | 109.5° |
CAW | CAS | HAS | 108.8° | 109.5° |
CAW | CAS | HASA | 108.8° | 109.5° |
CAS | CAW | HAW | 106.0° | 109.5° |
CAU | CAV | CAX | 106.0° | 104.9° |
CAV | CAX | HAX | 112.9° | 110.2° |
HAA | CAA | HAAA | 109.4° | 109.5° |
HAA | CAA | HAAB | 109.5° | 109.4° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
HAK | CAK | HAKA | 111.3° | 109.4° |
HAL | CAL | HALA | 108.6° | 109.5° |
HAM | CAM | HAMA | 109.3° | 109.5° |
HAN | CAN | HANA | 109.4° | 109.5° |
HAO | CAO | HAOA | 111.8° | 109.4° |
HAP | CAP | HAPA | 111.9° | 109.5° |
HAQ | CAQ | HAQA | 111.7° | 109.5° |
HAR | CAR | HARA | 106.7° | 109.5° |
HAS | CAS | HASA | 110.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAK | CAO | HAK | 120.0° | 120.0° |
CAA | CAK | CAO | HAKA | 120.0° | 120.0° |
CAA | CAK | CAO | CAQ | 177.4° | 180.0° |
CAK | CAA | HAA | HAAA | 120.0° | 120.1° |
CAK | CAA | HAA | HAAB | 120.0° | 120.0° |
CAK | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAA | CAK | HAK | HAKA | 117.6° | 120.1° |
CAA | CAK | CAO | HAO | 57.4° | 60.0° |
CAA | CAK | CAO | HAOA | 62.6° | 60.0° |
OAB | CAT | OAD | CAR | 176.1° | 179.9° |
OAB | CAT | CAR | CAP | 23.1° | 0.1° |
OAB | CAT | OAD | HOAD | 0.0° | 0.1° |
OAB | CAT | CAR | HAR | 143.1° | 120.0° |
OAB | CAT | CAR | HARA | 96.9° | 120.0° |
OAC | CAU | CAH | CAI | 179.0° | 180.0° |
OAC | CAU | CAH | CAV | 179.4° | 180.0° |
OAC | CAU | CAV | CAJ | 1.6° | 0.0° |
OAC | CAU | CAV | CAX | 176.3° | 180.0° |
OAC | CAU | CAH | HAH | 1.0° | 0.3° |
OAD | CAT | CAR | CAP | 153.4° | 180.0° |
OAD | CAT | CAR | HAR | 33.4° | 60.0° |
OAD | CAT | CAR | HARA | 86.6° | 60.1° |
OAE | CAW | CAN | CAJ | 24.4° | 65.1° |
OAE | CAW | CAN | CAS | 115.6° | 119.9° |
OAE | CAW | CAN | HAW | 126.9° | 120.0° |
OAE | CAW | CAS | CAQ | 47.9° | 65.0° |
OAE | CAW | CAS | HAW | 126.9° | 120.0° |
OAE | CAW | CAN | HAN | 95.6° | 54.9° |
OAE | CAW | CAN | HANA | 144.4° | 175.0° |
OAE | CAW | CAS | HAS | 167.9° | 175.0° |
OAE | CAW | CAS | HASA | 72.1° | 55.0° |
CAG | CAF | CAL | HAF | 180.0° | 180.0° |
CAF | CAG | CAM | HAG | 180.0° | 179.9° |
CAG | CAF | CAL | CAP | 140.5° | 126.9° |
CAF | CAG | CAM | CAX | 81.4° | 127.0° |
CAG | CAF | CAL | HAL | 20.4° | 113.1° |
CAG | CAF | CAL | HALA | 99.6° | 6.9° |
CAF | CAG | CAM | HAM | 158.6° | 113.0° |
CAF | CAG | CAM | HAMA | 38.6° | 7.0° |
CAL | CAF | CAG | CAM | 3.0° | 7.5° |
CAF | CAL | CAP | HAL | 120.0° | 120.0° |
CAF | CAL | CAP | HALA | 120.0° | 120.0° |
CAF | CAL | CAP | CAR | 131.9° | 180.0° |
CAL | CAF | CAG | HAG | 176.9° | 172.4° |
CAF | CAL | HAL | HALA | 121.0° | 120.0° |
CAF | CAL | CAP | HAP | 11.9° | 60.0° |
CAF | CAL | CAP | HAPA | 108.1° | 60.0° |
CAG | CAM | CAX | CAI | 99.6° | 66.5° |
CAG | CAM | CAX | HAM | 120.0° | 120.0° |
CAG | CAM | CAX | HAMA | 120.0° | 120.0° |
CAG | CAM | CAX | CAV | 153.1° | 177.1° |
CAM | CAG | CAF | HAF | 176.9° | 172.5° |
CAG | CAM | HAM | HAMA | 120.2° | 120.0° |
CAG | CAM | CAX | HAX | 27.6° | 55.3° |
CAI | CAH | CAU | HAH | 180.0° | 179.6° |
CAH | CAI | CAX | HAI | 180.0° | 180.0° |
CAH | CAI | CAX | CAM | 103.0° | 119.1° |
CAI | CAH | CAU | CAV | 1.6° | 0.0° |
CAH | CAI | CAX | CAV | 7.1° | 0.0° |
CAH | CAI | CAX | HAX | 131.8° | 119.2° |
CAU | CAH | CAI | CAX | 5.7° | 0.0° |
CAH | CAU | CAV | CAJ | 178.9° | 180.0° |
CAH | CAU | CAV | CAX | 3.2° | 0.0° |
CAU | CAH | CAI | HAI | 174.2° | 180.0° |
CAI | CAX | CAV | CAJ | 176.3° | 180.0° |
CAI | CAX | CAM | CAV | 107.3° | 116.4° |
CAI | CAX | CAM | HAX | 127.3° | 121.7° |
CAI | CAX | CAV | CAU | 6.1° | 0.0° |
CAI | CAX | CAV | HAX | 127.6° | 119.2° |
CAX | CAI | CAH | HAH | 174.2° | 179.7° |
CAI | CAX | CAM | HAM | 20.4° | 53.5° |
CAI | CAX | CAM | HAMA | 140.4° | 173.5° |
CAN | CAJ | CAV | HAJ | 180.0° | 179.9° |
CAJ | CAN | CAW | HAN | 120.0° | 120.0° |
CAJ | CAN | CAW | HANA | 120.0° | 119.9° |
CAJ | CAN | CAW | CAS | 140.0° | 175.0° |
CAN | CAJ | CAV | CAU | 1.5° | 0.1° |
CAN | CAJ | CAV | CAX | 178.8° | 180.0° |
CAJ | CAN | HAN | HANA | 120.1° | 120.0° |
CAJ | CAN | CAW | HAW | 102.5° | 54.9° |
CAJ | CAV | CAX | CAM | 77.7° | 60.9° |
CAV | CAJ | CAN | CAW | 168.2° | 125.0° |
CAJ | CAV | CAU | CAX | 177.9° | 180.0° |
CAV | CAJ | CAN | HAN | 71.8° | 115.0° |
CAV | CAJ | CAN | HANA | 48.2° | 5.1° |
CAJ | CAV | CAX | HAX | 48.7° | 60.9° |
CAK | CAO | CAQ | HAO | 120.0° | 120.0° |
CAK | CAO | CAQ | HAOA | 120.0° | 120.1° |
CAK | CAO | CAQ | CAS | 133.9° | 180.0° |
CAO | CAK | CAA | HAA | 180.0° | 60.0° |
CAO | CAK | CAA | HAAA | 60.0° | 60.0° |
CAO | CAK | CAA | HAAB | 60.0° | 179.9° |
CAO | CAK | HAK | HAKA | 117.7° | 119.9° |
CAK | CAO | HAO | HAOA | 116.9° | 120.1° |
CAK | CAO | CAQ | HAQ | 106.1° | 60.0° |
CAK | CAO | CAQ | HAQA | 13.9° | 60.0° |
CAL | CAP | CAR | HAP | 120.0° | 120.0° |
CAL | CAP | CAR | HAPA | 120.0° | 120.0° |
CAL | CAP | CAR | CAT | 139.2° | 180.0° |
CAP | CAL | CAF | HAF | 39.6° | 53.1° |
CAP | CAL | HAL | HALA | 121.0° | 120.0° |
CAL | CAP | HAP | HAPA | 116.7° | 119.9° |
CAL | CAP | CAR | HAR | 100.8° | 60.0° |
CAL | CAP | CAR | HARA | 19.2° | 60.0° |
CAM | CAX | CAV | CAU | 99.8° | 119.1° |
CAM | CAX | CAV | HAX | 126.4° | 121.8° |
CAX | CAM | CAG | HAG | 98.6° | 53.0° |
CAM | CAX | CAI | HAI | 77.0° | 60.9° |
CAX | CAM | HAM | HAMA | 120.2° | 120.0° |
CAN | CAW | CAS | CAQ | 165.0° | 175.0° |
CAN | CAW | CAS | HAW | 116.0° | 120.1° |
CAN | CAW | OAE | HOAE | 180.0° | 59.9° |
CAW | CAN | CAJ | HAJ | 11.8° | 55.1° |
CAW | CAN | HAN | HANA | 120.1° | 120.0° |
CAN | CAW | CAS | HAS | 75.0° | 55.1° |
CAN | CAW | CAS | HASA | 45.0° | 65.0° |
CAO | CAQ | CAS | HAQ | 120.0° | 120.0° |
CAO | CAQ | CAS | HAQA | 120.0° | 120.0° |
CAO | CAQ | CAS | CAW | 43.5° | 180.0° |
CAQ | CAO | CAK | HAK | 62.6° | 60.0° |
CAQ | CAO | CAK | HAKA | 57.4° | 60.0° |
CAQ | CAO | HAO | HAOA | 116.9° | 119.9° |
CAO | CAQ | HAQ | HAQA | 117.0° | 120.0° |
CAO | CAQ | CAS | HAS | 163.5° | 60.0° |
CAO | CAQ | CAS | HASA | 76.6° | 60.0° |
CAP | CAR | CAT | HAR | 120.0° | 120.0° |
CAP | CAR | CAT | HARA | 120.0° | 120.0° |
CAR | CAP | CAL | HAL | 108.1° | 60.0° |
CAR | CAP | CAL | HALA | 11.9° | 60.0° |
CAR | CAP | HAP | HAPA | 116.8° | 120.0° |
CAP | CAR | HAR | HARA | 123.2° | 120.0° |
CAQ | CAS | CAW | HAS | 120.0° | 120.0° |
CAQ | CAS | CAW | HASA | 120.0° | 120.0° |
CAS | CAQ | CAO | HAO | 14.0° | 60.0° |
CAS | CAQ | CAO | HAOA | 106.1° | 59.9° |
CAS | CAQ | HAQ | HAQA | 117.0° | 120.0° |
CAQ | CAS | HAS | HASA | 119.2° | 120.0° |
CAQ | CAS | CAW | HAW | 79.0° | 54.9° |
CAR | CAT | OAD | HOAD | 176.1° | 180.0° |
CAT | CAR | CAP | HAP | 19.2° | 60.0° |
CAT | CAR | CAP | HAPA | 100.8° | 60.0° |
CAT | CAR | HAR | HARA | 123.1° | 120.0° |
CAS | CAW | OAE | HOAE | 53.4° | 60.0° |
CAS | CAW | CAN | HAN | 20.0° | 65.0° |
CAS | CAW | CAN | HANA | 100.0° | 55.1° |
CAW | CAS | CAQ | HAQ | 76.5° | 60.1° |
CAW | CAS | CAQ | HAQA | 163.5° | 60.0° |
CAW | CAS | HAS | HASA | 119.2° | 120.1° |
CAV | CAU | CAH | HAH | 178.4° | 179.7° |
CAU | CAV | CAJ | HAJ | 178.5° | 179.9° |
CAU | CAV | CAX | HAX | 133.8° | 119.2° |
CAV | CAX | CAI | HAI | 172.9° | 180.0° |
CAX | CAV | CAJ | HAJ | 1.2° | 0.1° |
CAV | CAX | CAM | HAM | 86.9° | 62.9° |
CAV | CAX | CAM | HAMA | 33.1° | 57.1° |
HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
HAA | CAA | CAK | HAK | 60.0° | 60.0° |
HAA | CAA | CAK | HAKA | 60.0° | 180.0° |
HAAA | CAA | CAK | HAK | 60.0° | 180.0° |
HAAA | CAA | CAK | HAKA | 180.0° | 60.0° |
HAAB | CAA | CAK | HAK | 180.0° | 60.0° |
HAAB | CAA | CAK | HAKA | 60.0° | 60.1° |
HOAE | OAE | CAW | HAW | 64.1° | 180.0° |
HAF | CAF | CAG | HAG | 3.1° | 7.5° |
HAF | CAF | CAL | HAL | 159.6° | 66.9° |
HAF | CAF | CAL | HALA | 80.4° | 173.1° |
HAG | CAG | CAM | HAM | 21.4° | 67.0° |
HAG | CAG | CAM | HAMA | 141.4° | 173.0° |
HAH | CAH | CAI | HAI | 5.8° | 0.3° |
HAI | CAI | CAX | HAX | 48.2° | 60.8° |
HAJ | CAJ | CAN | HAN | 108.2° | 64.9° |
HAJ | CAJ | CAN | HANA | 131.8° | 175.0° |
HAK | CAK | CAO | HAO | 177.4° | 179.9° |
HAK | CAK | CAO | HAOA | 57.4° | 60.0° |
HAKA | CAK | CAO | HAO | 62.6° | 60.0° |
HAKA | CAK | CAO | HAOA | 177.4° | 180.0° |
HAL | CAL | CAP | HAP | 131.9° | 180.0° |
HAL | CAL | CAP | HAPA | 11.9° | 60.0° |
HALA | CAL | CAP | HAP | 108.1° | 60.0° |
HALA | CAL | CAP | HAPA | 131.9° | 180.0° |
HAM | CAM | CAX | HAX | 147.6° | 175.3° |
HAMA | CAM | CAX | HAX | 92.3° | 64.7° |
HAN | CAN | CAW | HAW | 137.5° | 175.0° |
HANA | CAN | CAW | HAW | 17.5° | 65.0° |
HAO | CAO | CAQ | HAQ | 134.0° | 180.0° |
HAO | CAO | CAQ | HAQA | 106.0° | 60.0° |
HAOA | CAO | CAQ | HAQ | 13.9° | 60.1° |
HAOA | CAO | CAQ | HAQA | 133.9° | 179.9° |
HAP | CAP | CAR | HAR | 139.2° | 180.0° |
HAP | CAP | CAR | HARA | 100.8° | 60.0° |
HAPA | CAP | CAR | HAR | 19.2° | 60.0° |
HAPA | CAP | CAR | HARA | 139.2° | 180.0° |
HAQ | CAQ | CAS | HAS | 43.5° | 180.0° |
HAQ | CAQ | CAS | HASA | 163.5° | 60.0° |
HAQA | CAQ | CAS | HAS | 76.5° | 60.0° |
HAQA | CAQ | CAS | HASA | 43.5° | 179.9° |
HAS | CAS | CAW | HAW | 41.0° | 65.0° |
HASA | CAS | CAW | HAW | 161.0° | 175.0° |