HM9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | SAE | sing | 1.76Å | 1.70Å | |
C | CAC | sing | 1.48Å | 1.45Å | |
C | OXT | doub | 1.22Å | 1.33Å | |
CAC | NAB | doub | 1.33Å | 1.38Å | Aromatic |
CAC | CAF | sing | 1.40Å | 1.39Å | Aromatic |
NAB | CAA | sing | 1.32Å | 1.35Å | Aromatic |
CAF | OAG | sing | 1.35Å | 1.27Å | |
CAF | NAH | doub | 1.33Å | 1.39Å | Aromatic |
NAH | CAI | sing | 1.33Å | 1.35Å | Aromatic |
CAI | OAJ | sing | 1.36Å | 1.29Å | |
CAI | CAA | doub | 1.40Å | 1.42Å | Aromatic |
CAA | CBW | sing | 1.51Å | 1.47Å | |
CBW | CBX | sing | 1.53Å | 1.55Å | |
CBX | CBY | sing | 1.53Å | 1.51Å | |
CBY | NBZ | sing | 1.47Å | 1.47Å | |
NBZ | CCA | sing | 1.37Å | 1.34Å | |
CCA | NCC | doub | 1.30Å | 1.33Å | |
CCA | NCB | sing | 1.38Å | 1.33Å | |
SAE | HAE | sing | 1.41Å | 1.30Å | |
OAG | HAG | sing | 0.97Å | 0.95Å | |
OAJ | HAJ | sing | 0.97Å | 0.95Å | |
CBW | HBW1 | sing | 1.09Å | 1.10Å | |
CBW | HBW2 | sing | 1.09Å | 1.10Å | |
CBX | HBX1 | sing | 1.09Å | 1.10Å | |
CBX | HBX2 | sing | 1.09Å | 1.10Å | |
CBY | HBY1 | sing | 1.09Å | 1.10Å | |
CBY | HBY2 | sing | 1.09Å | 1.10Å | |
NBZ | HBZ | sing | 0.97Å | 1.00Å | |
NCC | HCC | sing | 0.97Å | 1.00Å | |
NCB | HCB1 | sing | 0.97Å | 1.00Å | |
NCB | HCB2 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
SAE | C | CAC | 122.2° | 120.0° |
SAE | C | OXT | 119.1° | 120.1° |
C | SAE | HAE | 102.0° | 100.0° |
CAC | C | OXT | 118.5° | 119.9° |
C | CAC | NAB | 116.4° | 120.1° |
C | CAC | CAF | 122.6° | 120.1° |
NAB | CAC | CAF | 120.8° | 119.8° |
CAC | NAB | CAA | 121.7° | 120.0° |
CAC | CAF | OAG | 126.9° | 120.1° |
CAC | CAF | NAH | 116.6° | 119.8° |
NAB | CAA | CAI | 118.4° | 120.2° |
NAB | CAA | CBW | 120.1° | 119.8° |
OAG | CAF | NAH | 116.4° | 120.1° |
CAF | OAG | HAG | 109.5° | 113.9° |
CAF | NAH | CAI | 122.9° | 119.9° |
NAH | CAI | OAJ | 117.7° | 119.9° |
NAH | CAI | CAA | 119.4° | 120.2° |
OAJ | CAI | CAA | 122.8° | 119.9° |
CAI | OAJ | HAJ | 109.5° | 114.0° |
CAI | CAA | CBW | 121.4° | 119.9° |
CAA | CBW | CBX | 114.8° | 109.4° |
CAA | CBW | HBW1 | 107.8° | 109.4° |
CAA | CBW | HBW2 | 107.7° | 109.5° |
CBW | CBX | CBY | 110.2° | 109.4° |
CBX | CBW | HBW1 | 107.7° | 109.5° |
CBX | CBW | HBW2 | 107.7° | 109.5° |
CBW | CBX | HBX1 | 109.2° | 109.5° |
CBW | CBX | HBX2 | 109.2° | 109.5° |
CBX | CBY | NBZ | 114.3° | 109.4° |
CBY | CBX | HBX1 | 109.3° | 109.4° |
CBY | CBX | HBX2 | 109.2° | 109.5° |
CBX | CBY | HBY1 | 107.9° | 109.5° |
CBX | CBY | HBY2 | 107.9° | 109.5° |
CBY | NBZ | CCA | 123.2° | 120.0° |
NBZ | CBY | HBY1 | 107.9° | 109.4° |
NBZ | CBY | HBY2 | 107.9° | 109.5° |
CBY | NBZ | HBZ | 118.4° | 120.0° |
NBZ | CCA | NCC | 122.1° | 120.0° |
NBZ | CCA | NCB | 119.8° | 120.0° |
CCA | NBZ | HBZ | 118.4° | 120.0° |
NCC | CCA | NCB | 118.1° | 120.0° |
CCA | NCC | HCC | 112.0° | 120.1° |
CCA | NCB | HCB1 | 120.0° | 120.0° |
CCA | NCB | HCB2 | 120.0° | 120.0° |
HBW1 | CBW | HBW2 | 111.2° | 109.5° |
HBX1 | CBX | HBX2 | 109.7° | 109.5° |
HBY1 | CBY | HBY2 | 111.0° | 109.5° |
HCB1 | NCB | HCB2 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
SAE | C | CAC | OXT | 175.5° | 179.7° |
SAE | C | CAC | NAB | 1.3° | 0.0° |
SAE | C | CAC | CAF | 176.4° | 179.7° |
C | CAC | NAB | CAF | 175.2° | 179.7° |
C | CAC | NAB | CAA | 176.6° | 180.0° |
C | CAC | CAF | OAG | 4.2° | 0.0° |
C | CAC | CAF | NAH | 178.4° | 180.0° |
CAC | C | SAE | HAE | 175.4° | 180.0° |
OXT | C | CAC | NAB | 174.1° | 179.7° |
OXT | C | CAC | CAF | 0.9° | 0.0° |
OXT | C | SAE | HAE | 0.0° | 0.3° |
NAB | CAC | CAF | OAG | 179.1° | 179.7° |
NAB | CAC | CAF | NAH | 3.5° | 0.2° |
CAC | NAB | CAA | CAI | 1.2° | 0.0° |
CAC | NAB | CAA | CBW | 180.0° | 180.0° |
CAF | CAC | NAB | CAA | 1.5° | 0.3° |
CAC | CAF | OAG | NAH | 177.4° | 179.9° |
CAC | CAF | NAH | CAI | 3.0° | 0.1° |
CAC | CAF | OAG | HAG | 4.2° | 90.1° |
NAB | CAA | CAI | NAH | 1.8° | 0.3° |
NAB | CAA | CAI | OAJ | 179.0° | 180.0° |
NAB | CAA | CAI | CBW | 178.7° | 180.0° |
NAB | CAA | CBW | CBX | 90.5° | 90.0° |
NAB | CAA | CBW | HBW1 | 29.5° | 150.0° |
NAB | CAA | CBW | HBW2 | 149.5° | 30.0° |
OAG | CAF | NAH | CAI | 179.3° | 180.0° |
CAF | NAH | CAI | OAJ | 177.0° | 180.0° |
CAF | NAH | CAI | CAA | 0.4° | 0.3° |
NAH | CAF | OAG | HAG | 178.4° | 90.0° |
NAH | CAI | OAJ | CAA | 177.3° | 179.7° |
NAH | CAI | CAA | CBW | 179.5° | 179.7° |
NAH | CAI | OAJ | HAJ | 0.0° | 90.0° |
OAJ | CAI | CAA | CBW | 2.3° | 0.0° |
CAI | CAA | CBW | CBX | 88.2° | 90.0° |
CAA | CAI | OAJ | HAJ | 177.2° | 90.3° |
CAI | CAA | CBW | HBW1 | 151.8° | 30.0° |
CAI | CAA | CBW | HBW2 | 31.8° | 150.0° |
CAA | CBW | CBX | HBW1 | 120.0° | 120.0° |
CAA | CBW | CBX | HBW2 | 120.0° | 120.0° |
CAA | CBW | CBX | CBY | 172.3° | 180.0° |
CAA | CBW | HBW1 | HBW2 | 117.8° | 120.0° |
CAA | CBW | CBX | HBX1 | 67.7° | 60.0° |
CAA | CBW | CBX | HBX2 | 52.3° | 60.0° |
CBW | CBX | CBY | HBX1 | 120.0° | 120.0° |
CBW | CBX | CBY | HBX2 | 120.0° | 120.0° |
CBW | CBX | CBY | NBZ | 175.0° | 180.0° |
CBX | CBW | HBW1 | HBW2 | 117.8° | 120.0° |
CBW | CBX | HBX1 | HBX2 | 119.7° | 120.0° |
CBW | CBX | CBY | HBY1 | 65.0° | 60.1° |
CBW | CBX | CBY | HBY2 | 55.0° | 60.0° |
CBX | CBY | NBZ | HBY1 | 120.0° | 120.0° |
CBX | CBY | NBZ | HBY2 | 120.0° | 120.0° |
CBX | CBY | NBZ | CCA | 81.9° | 180.0° |
CBY | CBX | CBW | HBW1 | 52.3° | 60.0° |
CBY | CBX | CBW | HBW2 | 67.7° | 60.0° |
CBY | CBX | HBX1 | HBX2 | 119.7° | 120.0° |
CBX | CBY | HBY1 | HBY2 | 118.0° | 120.1° |
CBX | CBY | NBZ | HBZ | 98.2° | 0.1° |
CBY | NBZ | CCA | HBZ | 180.0° | 179.9° |
CBY | NBZ | CCA | NCC | 3.4° | 179.9° |
CBY | NBZ | CCA | NCB | 174.2° | 0.1° |
NBZ | CBY | CBX | HBX1 | 55.0° | 60.0° |
NBZ | CBY | CBX | HBX2 | 65.0° | 60.0° |
NBZ | CBY | HBY1 | HBY2 | 118.0° | 120.0° |
NBZ | CCA | NCC | NCB | 177.6° | 180.0° |
CCA | NBZ | CBY | HBY1 | 38.1° | 60.1° |
CCA | NBZ | CBY | HBY2 | 158.1° | 60.0° |
NBZ | CCA | NCC | HCC | 177.6° | 180.0° |
NBZ | CCA | NCB | HCB1 | 177.7° | 0.0° |
NBZ | CCA | NCB | HCB2 | 2.3° | 180.0° |
NCC | CCA | NBZ | HBZ | 176.6° | 0.1° |
NCC | CCA | NCB | HCB1 | 0.0° | 180.0° |
NCC | CCA | NCB | HCB2 | 180.0° | 0.0° |
NCB | CCA | NBZ | HBZ | 5.8° | 179.9° |
NCB | CCA | NCC | HCC | 0.0° | 0.0° |
CCA | NCB | HCB1 | HCB2 | 180.0° | 180.0° |
HBW1 | CBW | CBX | HBX1 | 172.3° | 180.0° |
HBW1 | CBW | CBX | HBX2 | 67.7° | 60.0° |
HBW2 | CBW | CBX | HBX1 | 52.3° | 60.0° |
HBW2 | CBW | CBX | HBX2 | 172.3° | 180.0° |
HBX1 | CBX | CBY | HBY1 | 175.0° | 179.9° |
HBX1 | CBX | CBY | HBY2 | 65.0° | 60.0° |
HBX2 | CBX | CBY | HBY1 | 55.0° | 59.9° |
HBX2 | CBX | CBY | HBY2 | 175.0° | 180.0° |
HBY1 | CBY | NBZ | HBZ | 141.9° | 120.1° |
HBY2 | CBY | NBZ | HBZ | 21.8° | 119.9° |