UT6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAY | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
CAY | CAX | sing | 1.38Å | 1.38Å | Aromatic |
CAZ | CBA | sing | 1.39Å | 1.38Å | Aromatic |
CLAA | CAB | sing | 1.74Å | 1.73Å | |
CAX | NAW | doub | 1.32Å | 1.35Å | Aromatic |
CBA | CAV | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAB | doub | 1.38Å | 1.36Å | Aromatic |
CAH | CAF | sing | 1.38Å | 1.37Å | Aromatic |
CAB | CAC | sing | 1.38Å | 1.38Å | Aromatic |
NAW | CAV | sing | 1.32Å | 1.34Å | Aromatic |
CAV | CAU | sing | 1.51Å | 1.49Å | |
CLAG | CAF | sing | 1.74Å | 1.71Å | |
CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAC | CAD | doub | 1.38Å | 1.38Å | Aromatic |
CBE | CBD | doub | 1.31Å | 1.34Å | |
CAU | NAT | sing | 1.48Å | 1.47Å | |
CAE | CAD | sing | 1.38Å | 1.40Å | Aromatic |
CBB | NAT | sing | 1.46Å | 1.50Å | |
CBB | CBC | sing | 1.52Å | 1.51Å | |
CAD | SAI | sing | 1.76Å | 1.79Å | |
NAT | C | sing | 1.34Å | 1.36Å | |
CBD | CBC | sing | 1.51Å | 1.54Å | |
CBC | CAM | sing | 1.52Å | 1.60Å | |
C | O | doub | 1.22Å | 1.25Å | |
C | CA | sing | 1.51Å | 1.48Å | |
SAI | N | sing | 1.66Å | 1.65Å | |
SAI | OAJ | doub | 1.42Å | 1.47Å | |
N | CAM | sing | 1.46Å | 1.48Å | |
N | CA | sing | 1.46Å | 1.48Å | |
CAM | CAN | sing | 1.52Å | 1.50Å | |
CA | CB | sing | 1.52Å | 1.55Å | |
CAN | CAO | sing | 1.52Å | 1.51Å | |
CB | CAO | sing | 1.51Å | 1.53Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CA | HA | sing | 1.10Å | 1.10Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.11Å | 1.10Å | |
CAO | HAQ | sing | 1.10Å | 1.10Å | |
CAO | HAP | sing | 1.10Å | 1.10Å | |
CAN | HAO | sing | 1.10Å | 1.10Å | |
CAN | HAN | sing | 1.10Å | 1.10Å | |
CAM | HAM | sing | 1.11Å | 1.10Å | |
CBC | HBC | sing | 1.10Å | 1.10Å | |
CBD | HBD | sing | 1.08Å | 1.08Å | |
CBE | HBE | sing | 1.08Å | 1.08Å | |
CBE | HB5 | sing | 1.08Å | 1.08Å | |
CBB | HB4 | sing | 1.09Å | 1.10Å | |
CBB | HBB | sing | 1.10Å | 1.10Å | |
CAU | HB3 | sing | 1.09Å | 1.10Å | |
CAU | HAU | sing | 1.09Å | 1.10Å | |
CAX | HAX | sing | 1.08Å | 1.08Å | |
CAY | HAY | sing | 1.08Å | 1.08Å | |
CAZ | HAZ | sing | 1.08Å | 1.08Å | |
CBA | HBA | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAZ | CAY | CAX | 119.7° | 119.2° |
CAY | CAZ | CBA | 118.0° | 118.4° |
CAZ | CAY | HAY | 120.2° | 120.4° |
CAY | CAZ | HAZ | 121.0° | 120.8° |
CAY | CAX | NAW | 122.1° | 120.8° |
CAY | CAX | HAX | 118.9° | 119.6° |
CAX | CAY | HAY | 120.1° | 120.4° |
CAZ | CBA | CAV | 120.3° | 119.1° |
CBA | CAZ | HAZ | 121.0° | 120.8° |
CAZ | CBA | HBA | 119.9° | 120.4° |
CLAA | CAB | CAH | 118.7° | 120.0° |
CLAA | CAB | CAC | 118.9° | 120.0° |
CAX | NAW | CAV | 118.7° | 121.7° |
NAW | CAX | HAX | 118.9° | 119.6° |
CBA | CAV | NAW | 121.2° | 120.8° |
CBA | CAV | CAU | 121.1° | 119.6° |
CAV | CBA | HBA | 119.9° | 120.5° |
CAB | CAH | CAF | 119.6° | 120.0° |
CAH | CAB | CAC | 122.4° | 119.9° |
CAB | CAH | HAH | 120.2° | 120.0° |
CAH | CAF | CLAG | 120.3° | 120.0° |
CAH | CAF | CAE | 120.6° | 120.0° |
CAF | CAH | HAH | 120.2° | 120.0° |
CAB | CAC | CAD | 118.4° | 120.0° |
CAB | CAC | HAC | 120.8° | 119.9° |
NAW | CAV | CAU | 117.7° | 119.6° |
CAV | CAU | NAT | 111.6° | 109.5° |
CAV | CAU | HB3 | 108.9° | 109.5° |
CAV | CAU | HAU | 108.9° | 109.4° |
CLAG | CAF | CAE | 119.1° | 120.0° |
CAF | CAE | CAD | 118.1° | 120.0° |
CAF | CAE | HAE | 120.9° | 120.0° |
CAC | CAD | CAE | 120.9° | 120.0° |
CAC | CAD | SAI | 118.2° | 120.0° |
CAD | CAC | HAC | 120.8° | 120.0° |
CBE | CBD | CBC | 123.9° | 120.0° |
CBE | CBD | HBD | 118.1° | 120.0° |
CBD | CBE | HBE | 120.0° | 120.0° |
CBD | CBE | HB5 | 120.0° | 120.0° |
CAU | NAT | CBB | 114.9° | 118.4° |
CAU | NAT | C | 118.9° | 117.5° |
NAT | CAU | HB3 | 108.9° | 109.5° |
NAT | CAU | HAU | 108.9° | 109.5° |
CAE | CAD | SAI | 120.9° | 120.0° |
CAD | CAE | HAE | 120.9° | 120.0° |
NAT | CBB | CBC | 113.4° | 112.4° |
CBB | NAT | C | 126.1° | 124.1° |
NAT | CBB | HB4 | 108.5° | 111.3° |
NAT | CBB | HBB | 108.5° | 108.0° |
CBB | CBC | CBD | 111.4° | 110.4° |
CBB | CBC | CAM | 112.3° | 112.6° |
CBB | CBC | HBC | 108.9° | 108.2° |
CBC | CBB | HB4 | 108.5° | 110.1° |
CBC | CBB | HBB | 108.5° | 108.2° |
CAD | SAI | N | 99.0° | 103.0° |
CAD | SAI | OAJ | 105.1° | 103.0° |
NAT | C | O | 119.1° | 119.5° |
NAT | C | CA | 123.9° | 121.1° |
CBD | CBC | CAM | 107.7° | 109.8° |
CBD | CBC | HBC | 108.6° | 107.6° |
CBC | CBD | HBD | 118.1° | 120.0° |
CBC | CAM | N | 107.9° | 113.3° |
CBC | CAM | CAN | 113.1° | 114.0° |
CBC | CAM | HAM | 107.0° | 106.4° |
CAM | CBC | HBC | 107.8° | 108.2° |
O | C | CA | 117.0° | 119.4° |
C | CA | N | 114.6° | 108.1° |
C | CA | CB | 110.5° | 107.9° |
C | CA | HA | 107.4° | 109.4° |
N | SAI | OAJ | 110.2° | 103.0° |
SAI | N | CAM | 118.5° | 120.3° |
SAI | N | CA | 117.2° | 120.5° |
CAM | N | CA | 117.6° | 119.2° |
N | CAM | CAN | 112.1° | 110.2° |
N | CAM | HAM | 108.4° | 106.0° |
N | CA | CB | 109.9° | 111.3° |
N | CA | HA | 107.3° | 110.0° |
CAM | CAN | CAO | 113.1° | 113.6° |
CAM | CAN | HAO | 108.6° | 108.8° |
CAM | CAN | HAN | 108.5° | 108.8° |
CAN | CAM | HAM | 108.1° | 106.3° |
CA | CB | CAO | 110.1° | 115.2° |
CB | CA | HA | 106.6° | 110.2° |
CA | CB | HB1 | 109.3° | 110.2° |
CA | CB | HB2 | 109.3° | 107.3° |
CAN | CAO | CB | 110.4° | 117.3° |
CAN | CAO | HAQ | 109.2° | 108.0° |
CAN | CAO | HAP | 109.2° | 108.0° |
CAO | CAN | HAO | 108.6° | 108.9° |
CAO | CAN | HAN | 108.6° | 108.9° |
CAO | CB | HB1 | 109.3° | 110.8° |
CAO | CB | HB2 | 109.3° | 107.7° |
CB | CAO | HAQ | 109.2° | 108.6° |
CB | CAO | HAP | 109.2° | 108.5° |
HB1 | CB | HB2 | 109.5° | 105.1° |
HAQ | CAO | HAP | 109.5° | 105.8° |
HAO | CAN | HAN | 109.5° | 107.6° |
HBE | CBE | HB5 | 120.0° | 120.0° |
HB4 | CBB | HBB | 109.4° | 106.6° |
HB3 | CAU | HAU | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAZ | CAY | CAX | HAY | 180.0° | 179.7° |
CAY | CAZ | CBA | HAZ | 180.0° | 179.8° |
CAZ | CAY | CAX | NAW | 2.5° | 0.0° |
CAY | CAZ | CBA | CAV | 1.7° | 0.5° |
CAZ | CAY | CAX | HAX | 177.5° | 180.0° |
CAY | CAZ | CBA | HBA | 178.3° | 180.0° |
CAX | CAY | CAZ | CBA | 2.6° | 0.3° |
CAY | CAX | NAW | HAX | 180.0° | 180.0° |
CAY | CAX | NAW | CAV | 1.4° | 0.0° |
CAX | CAY | CAZ | HAZ | 177.4° | 180.0° |
CAZ | CBA | CAV | HBA | 180.0° | 179.5° |
CAZ | CBA | CAV | NAW | 0.7° | 0.5° |
CAZ | CBA | CAV | CAU | 178.7° | 179.8° |
CBA | CAZ | CAY | HAY | 177.4° | 180.0° |
CLAA | CAB | CAH | CAC | 178.5° | 179.9° |
CLAA | CAB | CAH | CAF | 178.5° | 179.9° |
CLAA | CAB | CAC | CAD | 179.6° | 180.0° |
CLAA | CAB | CAC | HAC | 0.4° | 0.2° |
CLAA | CAB | CAH | HAH | 1.5° | 0.0° |
CAX | NAW | CAV | CBA | 0.5° | 0.2° |
CAX | NAW | CAV | CAU | 178.5° | 180.0° |
NAW | CAX | CAY | HAY | 177.5° | 179.7° |
CBA | CAV | NAW | CAU | 178.1° | 179.7° |
CBA | CAV | CAU | NAT | 132.4° | 94.7° |
CBA | CAV | CAU | HB3 | 12.1° | 25.3° |
CBA | CAV | CAU | HAU | 107.3° | 145.2° |
CAV | CBA | CAZ | HAZ | 178.2° | 179.7° |
CAB | CAH | CAF | HAH | 180.0° | 179.9° |
CAB | CAH | CAF | CLAG | 178.4° | 180.0° |
CAB | CAH | CAF | CAE | 0.9° | 0.0° |
CAH | CAB | CAC | CAD | 1.2° | 0.1° |
CAH | CAB | CAC | HAC | 178.9° | 179.7° |
CAF | CAH | CAB | CAC | 0.1° | 0.0° |
CAH | CAF | CLAG | CAE | 177.5° | 180.0° |
CAH | CAF | CAE | CAD | 0.7° | 0.0° |
CAH | CAF | CAE | HAE | 179.3° | 179.9° |
CAB | CAC | CAD | HAC | 180.0° | 179.8° |
CAB | CAC | CAD | CAE | 1.3° | 0.1° |
CAB | CAC | CAD | SAI | 179.4° | 179.8° |
CAC | CAB | CAH | HAH | 179.9° | 179.9° |
NAW | CAV | CAU | NAT | 49.6° | 85.0° |
NAW | CAV | CAU | HB3 | 169.9° | 155.0° |
NAW | CAV | CAU | HAU | 70.7° | 35.0° |
CAV | NAW | CAX | HAX | 178.6° | 180.0° |
NAW | CAV | CBA | HBA | 179.4° | 180.0° |
CAV | CAU | NAT | HB3 | 120.3° | 120.0° |
CAV | CAU | NAT | HAU | 120.3° | 120.0° |
CAV | CAU | NAT | CBB | 52.2° | 90.0° |
CAV | CAU | NAT | C | 126.8° | 90.9° |
CAV | CAU | HB3 | HAU | 119.0° | 119.9° |
CAU | CAV | CBA | HBA | 1.4° | 0.3° |
CLAG | CAF | CAE | CAD | 178.2° | 180.0° |
CLAG | CAF | CAH | HAH | 1.6° | 0.0° |
CLAG | CAF | CAE | HAE | 1.8° | 0.1° |
CAF | CAE | CAD | CAC | 0.4° | 0.1° |
CAF | CAE | CAD | HAE | 180.0° | 179.9° |
CAF | CAE | CAD | SAI | 179.7° | 179.7° |
CAE | CAF | CAH | HAH | 179.1° | 180.0° |
CAC | CAD | CAE | SAI | 179.3° | 179.7° |
CAC | CAD | SAI | N | 82.9° | 90.0° |
CAC | CAD | SAI | OAJ | 163.2° | 16.9° |
CAC | CAD | CAE | HAE | 179.6° | 180.0° |
CBE | CBD | CBC | CBB | 31.0° | 115.3° |
CBE | CBD | CBC | HBD | 180.0° | 179.9° |
CBE | CBD | CBC | CAM | 92.5° | 120.1° |
CBE | CBD | CBC | HBC | 151.0° | 2.5° |
CBD | CBE | HBE | HB5 | 180.0° | 179.8° |
CAU | NAT | CBB | C | 178.9° | 179.0° |
CAU | NAT | CBB | CBC | 123.9° | 117.1° |
CAU | NAT | C | O | 5.7° | 3.5° |
CAU | NAT | C | CA | 175.9° | 176.2° |
CAU | NAT | CBB | HB4 | 115.5° | 118.8° |
CAU | NAT | CBB | HBB | 3.4° | 2.2° |
NAT | CAU | HB3 | HAU | 119.0° | 120.0° |
CAE | CAD | SAI | N | 97.8° | 90.3° |
CAE | CAD | SAI | OAJ | 16.1° | 162.8° |
CAE | CAD | CAC | HAC | 178.7° | 179.7° |
NAT | CBB | CBC | HB4 | 120.6° | 124.8° |
NAT | CBB | CBC | HBB | 120.6° | 119.2° |
NAT | CBB | CBC | CBD | 163.4° | 44.4° |
NAT | CBB | CBC | CAM | 75.8° | 78.6° |
CBB | NAT | C | O | 175.4° | 177.5° |
CBB | NAT | C | CA | 3.0° | 2.8° |
NAT | CBB | CBC | HBC | 43.6° | 161.8° |
NAT | CBB | HB4 | HBB | 118.2° | 117.5° |
CBB | NAT | CAU | HB3 | 68.1° | 150.0° |
CBB | NAT | CAU | HAU | 172.5° | 30.0° |
CBC | CBB | NAT | C | 57.1° | 63.9° |
CBB | CBC | CBD | CAM | 123.5° | 124.7° |
CBB | CBC | CBD | HBC | 120.0° | 117.8° |
CBB | CBC | CAM | HBC | 120.0° | 119.5° |
CBB | CBC | CAM | N | 8.2° | 61.9° |
CBB | CBC | CAM | CAN | 132.8° | 65.2° |
CBB | CBC | CAM | HAM | 108.2° | 178.0° |
CBB | CBC | CBD | HBD | 149.0° | 64.6° |
CBC | CBB | HB4 | HBB | 118.2° | 117.1° |
CAD | SAI | N | OAJ | 109.8° | 106.9° |
CAD | SAI | N | CAM | 77.2° | 180.0° |
CAD | SAI | N | CA | 132.2° | 0.2° |
SAI | CAD | CAC | HAC | 0.6° | 0.0° |
SAI | CAD | CAE | HAE | 0.3° | 0.3° |
NAT | C | O | CA | 178.5° | 179.7° |
NAT | C | CA | N | 3.7° | 64.9° |
NAT | C | CA | CB | 121.2° | 55.5° |
NAT | C | CA | HA | 122.8° | 175.4° |
C | NAT | CBB | HB4 | 63.5° | 60.2° |
C | NAT | CBB | HBB | 177.7° | 176.8° |
C | NAT | CAU | HB3 | 112.9° | 29.1° |
C | NAT | CAU | HAU | 6.5° | 149.1° |
CBD | CBC | CAM | HBC | 117.0° | 117.1° |
CBD | CBC | CAM | N | 131.2° | 61.5° |
CBD | CBC | CAM | CAN | 104.2° | 171.4° |
CBD | CBC | CAM | HAM | 14.8° | 54.6° |
CBC | CBD | CBE | HBE | 180.0° | 180.0° |
CBC | CBD | CBE | HB5 | 0.0° | 0.1° |
CBD | CBC | CBB | HB4 | 76.1° | 169.2° |
CBD | CBC | CBB | HBB | 42.8° | 74.8° |
CBC | CAM | N | SAI | 131.5° | 112.4° |
CBC | CAM | N | CAN | 125.2° | 129.1° |
CBC | CAM | N | HAM | 115.5° | 116.3° |
CBC | CAM | N | CA | 78.0° | 67.8° |
CBC | CAM | CAN | HAM | 118.3° | 116.9° |
CBC | CAM | CAN | CAO | 73.7° | 98.2° |
CBC | CAM | CAN | HAO | 165.8° | 23.3° |
CBC | CAM | CAN | HAN | 46.9° | 140.3° |
CAM | CBC | CBD | HBD | 87.4° | 60.1° |
CAM | CBC | CBB | HB4 | 44.8° | 46.1° |
CAM | CBC | CBB | HBB | 163.6° | 162.2° |
O | C | CA | N | 177.9° | 115.4° |
O | C | CA | CB | 57.2° | 124.2° |
O | C | CA | HA | 58.7° | 4.3° |
C | CA | N | SAI | 133.8° | 97.5° |
C | CA | N | CAM | 75.3° | 82.7° |
C | CA | N | CB | 125.2° | 118.3° |
C | CA | N | HA | 119.2° | 119.4° |
C | CA | CB | HA | 116.4° | 119.4° |
C | CA | CB | CAO | 73.5° | 135.3° |
C | CA | CB | HB1 | 46.6° | 9.1° |
C | CA | CB | HB2 | 166.4° | 104.7° |
SAI | N | CAM | CA | 150.5° | 179.8° |
SAI | N | CAM | CAN | 103.3° | 118.6° |
SAI | N | CA | CB | 100.9° | 144.3° |
SAI | N | CA | HA | 14.6° | 21.9° |
SAI | N | CAM | HAM | 16.0° | 4.0° |
OAJ | SAI | N | CAM | 32.6° | 73.1° |
OAJ | SAI | N | CA | 118.0° | 107.1° |
N | CAM | CAN | HAM | 119.4° | 114.4° |
CAM | N | CA | CB | 50.0° | 35.6° |
N | CAM | CAN | CAO | 48.6° | 30.4° |
CAM | N | CA | HA | 165.5° | 157.9° |
N | CAM | CAN | HAO | 71.9° | 152.0° |
N | CAM | CAN | HAN | 169.2° | 91.0° |
N | CAM | CBC | HBC | 111.8° | 178.6° |
CA | N | CAM | CAN | 47.2° | 61.3° |
N | CA | CB | HA | 116.0° | 122.2° |
N | CA | CB | CAO | 54.0° | 16.9° |
N | CA | CB | HB1 | 174.1° | 109.3° |
N | CA | CB | HB2 | 66.0° | 136.9° |
CA | N | CAM | HAM | 166.5° | 175.9° |
CAM | CAN | CAO | HAO | 120.6° | 121.5° |
CAM | CAN | CAO | HAN | 120.5° | 121.4° |
CAM | CAN | CAO | CB | 55.6° | 17.9° |
CAM | CAN | CAO | HAQ | 175.7° | 140.9° |
CAM | CAN | CAO | HAP | 64.5° | 105.1° |
CAM | CAN | HAO | HAN | 118.3° | 117.8° |
CAN | CAM | CBC | HBC | 12.8° | 54.3° |
CA | CB | CAO | CAN | 57.9° | 43.4° |
CA | CB | CAO | HB1 | 120.1° | 125.9° |
CA | CB | CAO | HB2 | 120.1° | 119.7° |
CA | CB | HB1 | HB2 | 119.7° | 115.3° |
CA | CB | CAO | HAQ | 178.0° | 166.2° |
CA | CB | CAO | HAP | 62.2° | 79.2° |
CAN | CAO | CB | HAQ | 120.1° | 122.7° |
CAN | CAO | CB | HAP | 120.1° | 122.6° |
CAN | CAO | CB | HB1 | 178.0° | 82.5° |
CAN | CAO | CB | HB2 | 62.2° | 163.1° |
CAN | CAO | HAQ | HAP | 119.5° | 115.4° |
CAO | CAN | HAO | HAN | 118.3° | 117.9° |
CAO | CAN | CAM | HAM | 168.1° | 144.9° |
CAO | CB | CA | HA | 170.0° | 105.3° |
CAO | CB | HB1 | HB2 | 119.7° | 116.1° |
CB | CAO | HAQ | HAP | 119.6° | 116.4° |
CB | CAO | CAN | HAO | 64.9° | 103.6° |
CB | CAO | CAN | HAN | 176.2° | 139.3° |
HA | CA | CB | HB1 | 69.9° | 128.5° |
HA | CA | CB | HB2 | 50.0° | 14.6° |
HB1 | CB | CAO | HAQ | 61.9° | 40.3° |
HB1 | CB | CAO | HAP | 57.8° | 154.9° |
HB2 | CB | CAO | HAQ | 57.9° | 74.1° |
HB2 | CB | CAO | HAP | 177.7° | 40.5° |
HAQ | CAO | CAN | HAO | 55.2° | 19.4° |
HAQ | CAO | CAN | HAN | 63.7° | 97.7° |
HAP | CAO | CAN | HAO | 174.9° | 133.4° |
HAP | CAO | CAN | HAN | 56.0° | 16.3° |
HAO | CAN | CAM | HAM | 47.5° | 93.6° |
HAN | CAN | CAM | HAM | 71.4° | 23.4° |
HAM | CAM | CBC | HBC | 131.7° | 62.5° |
HBC | CBC | CBD | HBD | 29.1° | 177.6° |
HBC | CBC | CBB | HB4 | 164.2° | 73.4° |
HBC | CBC | CBB | HBB | 77.0° | 42.7° |
HBD | CBD | CBE | HBE | 0.0° | 0.2° |
HBD | CBD | CBE | HB5 | 180.0° | 180.0° |
HAX | CAX | CAY | HAY | 2.5° | 0.2° |
HAY | CAY | CAZ | HAZ | 2.6° | 0.2° |
HAZ | CAZ | CBA | HBA | 1.7° | 0.2° |