SP9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAF | sing | 1.40Å | 1.39Å | Aromatic |
CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAR | doub | 1.38Å | 1.39Å | Aromatic |
CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
CAS | CAF | doub | 1.40Å | 1.39Å | Aromatic |
CAF | CAG | sing | 1.48Å | 1.53Å | |
CAG | OAA | doub | 1.22Å | 1.23Å | |
CAG | NAH | sing | 1.35Å | 1.33Å | |
NAH | CAI | sing | 1.47Å | 1.47Å | |
CAI | CAB | sing | 1.53Å | 1.53Å | |
CAI | CAJ | sing | 1.53Å | 1.53Å | |
CAJ | CAK | sing | 1.53Å | 1.53Å | |
CAK | NAL | sing | 1.47Å | 1.47Å | |
NAL | CAM | sing | 1.47Å | 1.47Å | |
CAM | CAN | sing | 1.53Å | 1.53Å | |
CAN | CAO | sing | 1.53Å | 1.53Å | |
CAO | CAP | sing | 1.53Å | 1.53Å | |
CAP | NAQ | sing | 1.47Å | 1.47Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAS | HAS | sing | 1.08Å | 1.08Å | |
NAH | HNAH | sing | 0.97Å | 1.00Å | |
CAI | HAI | sing | 1.09Å | 1.10Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
CAJ | HAJ | sing | 1.09Å | 1.10Å | |
CAJ | HAJA | sing | 1.09Å | 1.10Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAK | HAKA | sing | 1.09Å | 1.10Å | |
NAL | HNAL | sing | 1.01Å | 1.00Å | |
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 | |
NAQ | HNAQ | sing | 1.01Å | 1.00Å | |
NAQ | HNAA | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAD | CAE | CAF | 120.3° | 119.8° |
CAE | CAD | CAC | 119.9° | 120.2° |
CAD | CAE | HAE | 119.8° | 120.1° |
CAE | CAD | HAD | 120.1° | 119.9° |
CAE | CAF | CAS | 119.7° | 119.7° |
CAE | CAF | CAG | 120.3° | 120.2° |
CAF | CAE | HAE | 119.9° | 120.1° |
CAD | CAC | CAR | 119.9° | 120.3° |
CAC | CAD | HAD | 120.0° | 119.9° |
CAD | CAC | HAC | 120.1° | 119.8° |
CAC | CAR | CAS | 120.2° | 120.1° |
CAR | CAC | HAC | 120.1° | 119.9° |
CAC | CAR | HAR | 119.9° | 119.9° |
CAR | CAS | CAF | 120.1° | 119.9° |
CAS | CAR | HAR | 119.9° | 120.0° |
CAR | CAS | HAS | 120.0° | 120.0° |
CAS | CAF | CAG | 120.1° | 120.2° |
CAF | CAS | HAS | 120.0° | 120.1° |
CAF | CAG | OAA | 120.5° | 120.0° |
CAF | CAG | NAH | 115.1° | 120.0° |
OAA | CAG | NAH | 124.3° | 120.0° |
CAG | NAH | CAI | 123.5° | 120.0° |
CAG | NAH | HNAH | 118.2° | 120.0° |
NAH | CAI | CAB | 110.2° | 109.5° |
NAH | CAI | CAJ | 110.1° | 109.5° |
CAI | NAH | HNAH | 118.3° | 119.9° |
NAH | CAI | HAI | 108.9° | 109.5° |
CAB | CAI | CAJ | 110.3° | 109.5° |
CAB | CAI | HAI | 108.6° | 109.4° |
CAI | CAB | HAB | 109.5° | 109.5° |
CAI | CAB | HABA | 109.5° | 109.5° |
CAI | CAB | HABB | 109.4° | 109.5° |
CAI | CAJ | CAK | 111.6° | 109.5° |
CAJ | CAI | HAI | 108.7° | 109.5° |
CAI | CAJ | HAJ | 108.8° | 109.5° |
CAI | CAJ | HAJA | 108.3° | 109.5° |
CAJ | CAK | NAL | 110.3° | 109.5° |
CAK | CAJ | HAJ | 108.7° | 109.5° |
CAK | CAJ | HAJA | 108.3° | 109.5° |
CAJ | CAK | HAK | 109.2° | 109.5° |
CAJ | CAK | HAKA | 109.0° | 109.5° |
CAK | NAL | CAM | 109.3° | 111.0° |
NAL | CAK | HAK | 109.2° | 109.5° |
NAL | CAK | HAKA | 109.0° | 109.5° |
CAK | NAL | HNAL | 109.5° | 111.0° |
NAL | CAM | CAN | 108.9° | 109.5° |
CAM | NAL | HNAL | 109.5° | 111.0° |
NAL | CAM | HAM | 109.7° | 109.5° |
NAL | CAM | HAMA | 109.8° | 109.4° |
CAM | CAN | CAO | 111.5° | 109.5° |
CAN | CAM | HAM | 109.6° | 109.5° |
CAN | CAM | HAMA | 109.7° | 109.5° |
CAM | CAN | HAN | 108.8° | 109.5° |
CAM | CAN | HANA | 108.4° | 109.5° |
CAN | CAO | CAP | 111.2° | 109.5° |
CAO | CAN | HAN | 108.8° | 109.4° |
CAO | CAN | HANA | 108.4° | 109.5° |
CAN | CAO | HAO | 108.9° | 109.5° |
CAN | CAO | HAOA | 108.5° | 109.5° |
CAO | CAP | NAQ | 109.8° | 109.5° |
CAP | CAO | HAO | 108.9° | 109.5° |
CAP | CAO | HAOA | 108.5° | 109.4° |
CAO | CAP | HAP | 109.4° | 109.5° |
CAO | CAP | HAPA | 109.3° | 109.4° |
NAQ | CAP | HAP | 109.4° | 109.5° |
NAQ | CAP | HAPA | 109.3° | 109.5° |
CAP | NAQ | HNAQ | 109.5° | 111.0° |
CAP | NAQ | HNAA | 109.5° | 111.0° |
HAB | CAB | HABA | 109.4° | 109.5° |
HAB | CAB | HABB | 109.4° | 109.4° |
HABA | CAB | HABB | 109.5° | 109.5° |
HAJ | CAJ | HAJA | 111.2° | 109.4° |
HAK | CAK | HAKA | 110.2° | 109.5° |
HAM | CAM | HAMA | 109.1° | 109.5° |
HAN | CAN | HANA | 111.0° | 109.5° |
HAO | CAO | HAOA | 110.8° | 109.4° |
HAP | CAP | HAPA | 109.8° | 109.5° |
HNAQ | NAQ | HNAA | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAD | CAE | CAF | HAE | 180.0° | 179.6° |
CAE | CAD | CAC | HAD | 180.0° | 179.9° |
CAE | CAD | CAC | CAR | 0.1° | 0.1° |
CAD | CAE | CAF | CAS | 0.1° | 0.1° |
CAD | CAE | CAF | CAG | 178.8° | 179.9° |
CAE | CAD | CAC | HAC | 179.9° | 180.0° |
CAF | CAE | CAD | CAC | 0.0° | 0.1° |
CAE | CAF | CAS | CAR | 0.1° | 0.0° |
CAE | CAF | CAS | CAG | 178.9° | 180.0° |
CAE | CAF | CAG | OAA | 128.7° | 0.0° |
CAE | CAF | CAG | NAH | 51.2° | 180.0° |
CAF | CAE | CAD | HAD | 180.0° | 180.0° |
CAE | CAF | CAS | HAS | 179.9° | 179.9° |
CAD | CAC | CAR | HAC | 180.0° | 180.0° |
CAD | CAC | CAR | CAS | 0.1° | 0.0° |
CAC | CAD | CAE | HAE | 180.0° | 179.7° |
CAD | CAC | CAR | HAR | 179.9° | 180.0° |
CAC | CAR | CAS | HAR | 180.0° | 180.0° |
CAC | CAR | CAS | CAF | 0.0° | 0.0° |
CAR | CAC | CAD | HAD | 179.8° | 180.0° |
CAC | CAR | CAS | HAS | 180.0° | 179.9° |
CAR | CAS | CAF | HAS | 180.0° | 179.9° |
CAR | CAS | CAF | CAG | 178.8° | 180.0° |
CAS | CAR | CAC | HAC | 179.9° | 180.0° |
CAS | CAF | CAG | OAA | 52.4° | 180.0° |
CAS | CAF | CAG | NAH | 127.7° | 0.0° |
CAS | CAF | CAE | HAE | 179.9° | 179.7° |
CAF | CAS | CAR | HAR | 180.0° | 180.0° |
CAF | CAG | OAA | NAH | 179.9° | 180.0° |
CAF | CAG | NAH | CAI | 120.0° | 180.0° |
CAG | CAF | CAE | HAE | 1.2° | 0.3° |
CAG | CAF | CAS | HAS | 1.1° | 0.1° |
CAF | CAG | NAH | HNAH | 60.0° | 0.0° |
OAA | CAG | NAH | CAI | 59.9° | 0.0° |
OAA | CAG | NAH | HNAH | 120.1° | 180.0° |
CAG | NAH | CAI | HNAH | 180.0° | 180.0° |
CAG | NAH | CAI | CAB | 160.9° | 85.0° |
CAG | NAH | CAI | CAJ | 39.0° | 155.0° |
CAG | NAH | CAI | HAI | 80.0° | 35.0° |
NAH | CAI | CAB | CAJ | 121.8° | 120.0° |
NAH | CAI | CAB | HAI | 119.2° | 120.0° |
NAH | CAI | CAJ | HAI | 119.2° | 120.0° |
NAH | CAI | CAJ | CAK | 140.9° | 65.0° |
NAH | CAI | CAB | HAB | 60.6° | 60.0° |
NAH | CAI | CAB | HABA | 179.4° | 180.0° |
NAH | CAI | CAB | HABB | 59.4° | 60.0° |
NAH | CAI | CAJ | HAJ | 21.0° | 55.1° |
NAH | CAI | CAJ | HAJA | 100.0° | 175.0° |
CAB | CAI | CAJ | HAI | 119.0° | 120.0° |
CAB | CAI | CAJ | CAK | 97.2° | 175.0° |
CAB | CAI | NAH | HNAH | 19.1° | 95.0° |
CAI | CAB | HAB | HABA | 120.0° | 120.0° |
CAI | CAB | HAB | HABB | 120.0° | 119.9° |
CAI | CAB | HABA | HABB | 120.0° | 120.0° |
CAB | CAI | CAJ | HAJ | 142.8° | 65.0° |
CAB | CAI | CAJ | HAJA | 21.9° | 55.0° |
CAI | CAJ | CAK | HAJ | 120.0° | 120.0° |
CAI | CAJ | CAK | HAJA | 119.1° | 120.0° |
CAI | CAJ | CAK | NAL | 82.8° | 180.0° |
CAJ | CAI | NAH | HNAH | 141.0° | 25.0° |
CAJ | CAI | CAB | HAB | 177.6° | 180.0° |
CAJ | CAI | CAB | HABA | 57.6° | 60.0° |
CAJ | CAI | CAB | HABB | 62.5° | 60.1° |
CAI | CAJ | HAJ | HAJA | 119.1° | 120.0° |
CAI | CAJ | CAK | HAK | 37.2° | 60.0° |
CAI | CAJ | CAK | HAKA | 157.6° | 60.0° |
CAJ | CAK | NAL | HAK | 120.0° | 120.0° |
CAJ | CAK | NAL | HAKA | 119.6° | 120.0° |
CAJ | CAK | NAL | CAM | 153.6° | 180.0° |
CAK | CAJ | CAI | HAI | 21.8° | 55.0° |
CAK | CAJ | HAJ | HAJA | 119.1° | 120.0° |
CAJ | CAK | HAK | HAKA | 119.7° | 120.0° |
CAJ | CAK | NAL | HNAL | 33.6° | 56.1° |
CAK | NAL | CAM | HNAL | 120.0° | 123.9° |
CAK | NAL | CAM | CAN | 152.2° | 180.0° |
NAL | CAK | CAJ | HAJ | 157.2° | 60.0° |
NAL | CAK | CAJ | HAJA | 36.3° | 60.0° |
NAL | CAK | HAK | HAKA | 119.6° | 120.0° |
CAK | NAL | CAM | HAM | 32.2° | 60.0° |
CAK | NAL | CAM | HAMA | 87.6° | 60.0° |
NAL | CAM | CAN | HAM | 120.0° | 120.0° |
NAL | CAM | CAN | HAMA | 120.2° | 119.9° |
NAL | CAM | CAN | CAO | 107.9° | 180.0° |
CAM | NAL | CAK | HAK | 86.4° | 60.0° |
CAM | NAL | CAK | HAKA | 34.0° | 60.0° |
NAL | CAM | HAM | HAMA | 120.2° | 119.9° |
NAL | CAM | CAN | HAN | 132.1° | 60.0° |
NAL | CAM | CAN | HANA | 11.3° | 60.0° |
CAM | CAN | CAO | HAN | 120.0° | 120.0° |
CAM | CAN | CAO | HANA | 119.2° | 120.0° |
CAM | CAN | CAO | CAP | 88.6° | 180.0° |
CAN | CAM | NAL | HNAL | 87.8° | 56.1° |
CAN | CAM | HAM | HAMA | 120.2° | 120.1° |
CAM | CAN | HAN | HANA | 119.2° | 120.0° |
CAM | CAN | CAO | HAO | 151.4° | 60.0° |
CAM | CAN | CAO | HAOA | 30.6° | 60.0° |
CAN | CAO | CAP | HAO | 120.0° | 120.0° |
CAN | CAO | CAP | HAOA | 119.3° | 120.1° |
CAN | CAO | CAP | NAQ | 125.0° | 180.0° |
CAO | CAN | CAM | HAM | 12.1° | 60.0° |
CAO | CAN | CAM | HAMA | 131.9° | 60.0° |
CAO | CAN | HAN | HANA | 119.2° | 120.0° |
CAN | CAO | HAO | HAOA | 119.3° | 120.0° |
CAN | CAO | CAP | HAP | 115.0° | 60.0° |
CAN | CAO | CAP | HAPA | 5.2° | 60.0° |
CAO | CAP | NAQ | HAP | 120.0° | 120.0° |
CAO | CAP | NAQ | HAPA | 119.8° | 119.9° |
CAP | CAO | CAN | HAN | 31.4° | 60.0° |
CAP | CAO | CAN | HANA | 152.2° | 60.0° |
CAP | CAO | HAO | HAOA | 119.3° | 119.9° |
CAO | CAP | HAP | HAPA | 119.9° | 119.9° |
CAO | CAP | NAQ | HNAQ | 120.7° | 180.0° |
CAO | CAP | NAQ | HNAA | 0.6° | 56.0° |
NAQ | CAP | CAO | HAO | 5.0° | 60.0° |
NAQ | CAP | CAO | HAOA | 115.7° | 60.0° |
NAQ | CAP | HAP | HAPA | 119.9° | 120.0° |
CAP | NAQ | HNAQ | HNAA | 120.0° | 124.0° |
HAE | CAE | CAD | HAD | 0.0° | 0.4° |
HAD | CAD | CAC | HAC | 0.1° | 0.1° |
HAC | CAC | CAR | HAR | 0.1° | 0.0° |
HAR | CAR | CAS | HAS | 0.0° | 0.1° |
HNAH | NAH | CAI | HAI | 99.9° | 145.0° |
HAI | CAI | CAB | HAB | 58.5° | 60.0° |
HAI | CAI | CAB | HABA | 61.4° | 60.0° |
HAI | CAI | CAB | HABB | 178.5° | 180.0° |
HAI | CAI | CAJ | HAJ | 98.2° | 175.1° |
HAI | CAI | CAJ | HAJA | 140.9° | 65.0° |
HAB | CAB | HABA | HABB | 120.0° | 120.0° |
HAJ | CAJ | CAK | HAK | 82.8° | 180.0° |
HAJ | CAJ | CAK | HAKA | 37.6° | 60.0° |
HAJA | CAJ | CAK | HAK | 156.3° | 60.0° |
HAJA | CAJ | CAK | HAKA | 83.3° | 180.0° |
HAK | CAK | NAL | HNAL | 153.6° | 176.1° |
HAKA | CAK | NAL | HNAL | 86.0° | 63.9° |
HNAL | NAL | CAM | HAM | 152.2° | 176.1° |
HNAL | NAL | CAM | HAMA | 32.4° | 63.9° |
HAM | CAM | CAN | HAN | 107.9° | 180.0° |
HAM | CAM | CAN | HANA | 131.3° | 60.0° |
HAMA | CAM | CAN | HAN | 11.9° | 59.9° |
HAMA | CAM | CAN | HANA | 108.9° | 179.9° |
HAN | CAN | CAO | HAO | 88.6° | 180.0° |
HAN | CAN | CAO | HAOA | 150.6° | 60.0° |
HANA | CAN | CAO | HAO | 32.2° | 60.0° |
HANA | CAN | CAO | HAOA | 88.5° | 180.0° |
HAO | CAO | CAP | HAP | 125.0° | 180.0° |
HAO | CAO | CAP | HAPA | 114.8° | 60.0° |
HAOA | CAO | CAP | HAP | 4.3° | 60.1° |
HAOA | CAO | CAP | HAPA | 124.5° | 180.0° |
HAP | CAP | NAQ | HNAQ | 119.4° | 60.0° |
HAP | CAP | NAQ | HNAA | 120.6° | 176.0° |
HAPA | CAP | NAQ | HNAQ | 0.8° | 60.0° |
HAPA | CAP | NAQ | HNAA | 119.2° | 63.9° |