GI5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | CAU | sing | 1.51Å | 1.53Å | |
OAW | CAU | doub | 1.21Å | 1.23Å | |
CAU | NAT | sing | 1.35Å | 1.37Å | |
NAT | CAS | sing | 1.36Å | 1.33Å | Aromatic |
NAT | CAX | sing | 1.39Å | 1.36Å | Aromatic |
CAS | CAR | doub | 1.36Å | 1.34Å | Aromatic |
CAX | CBC | doub | 1.39Å | 1.36Å | Aromatic |
CAX | CAY | sing | 1.40Å | 1.35Å | Aromatic |
CBC | CBB | sing | 1.38Å | 1.40Å | Aromatic |
CAR | CAY | sing | 1.48Å | 1.36Å | Aromatic |
CAR | CAQ | sing | 1.47Å | 1.37Å | |
NAP | CAQ | sing | 1.35Å | 1.36Å | |
NAP | CAO | sing | 1.40Å | 1.37Å | |
CAY | CAZ | doub | 1.39Å | 1.35Å | Aromatic |
CBB | CBA | doub | 1.39Å | 1.39Å | Aromatic |
CAQ | OBD | doub | 1.22Å | 1.22Å | |
CAO | CBE | doub | 1.39Å | 1.39Å | Aromatic |
CAO | CAN | sing | 1.39Å | 1.41Å | Aromatic |
CBE | CAC | sing | 1.40Å | 1.41Å | Aromatic |
CAM | CAL | sing | 1.53Å | 1.53Å | |
CAM | CAH | sing | 1.53Å | 1.52Å | |
CAN | CAE | doub | 1.38Å | 1.42Å | Aromatic |
CAC | CAB | sing | 1.48Å | 1.41Å | |
CAC | CAD | doub | 1.40Å | 1.40Å | Aromatic |
CAZ | CBA | sing | 1.38Å | 1.41Å | Aromatic |
OAG | CAF | sing | 1.43Å | 1.39Å | |
OAG | CAH | sing | 1.43Å | 1.41Å | |
OAA | CAB | doub | 1.21Å | 1.27Å | |
CAB | OBF | sing | 1.35Å | 1.25Å | |
CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAE | CAF | sing | 1.51Å | 1.41Å | |
CAL | CAK | sing | 1.53Å | 1.46Å | |
CAH | OAI | sing | 1.43Å | 1.43Å | |
CAK | CAJ | sing | 1.53Å | 1.50Å | |
OAI | CAJ | sing | 1.43Å | 1.49Å | |
CAM | H1 | sing | 1.09Å | 1.10Å | |
CAM | H2 | sing | 1.09Å | 1.10Å | |
CAL | H3 | sing | 1.09Å | 1.10Å | |
CAL | H4 | sing | 1.09Å | 1.10Å | |
CAK | H5 | sing | 1.09Å | 1.10Å | |
CAK | H6 | sing | 1.09Å | 1.10Å | |
CAJ | H7 | sing | 1.09Å | 1.10Å | |
CAJ | H8 | sing | 1.09Å | 1.10Å | |
CAH | H9 | sing | 1.09Å | 1.10Å | |
CAF | H10 | sing | 1.09Å | 1.10Å | |
CAF | H11 | sing | 1.09Å | 1.10Å | |
CAN | H12 | sing | 1.08Å | 1.08Å | |
CAD | H13 | sing | 1.08Å | 1.08Å | |
OBF | H14 | sing | 0.97Å | 0.95Å | |
CBE | H15 | sing | 1.08Å | 1.08Å | |
NAP | H16 | sing | 0.97Å | 1.00Å | |
CAS | H17 | sing | 1.08Å | 1.08Å | |
CAZ | H18 | sing | 1.08Å | 1.08Å | |
CBA | H19 | sing | 1.08Å | 1.08Å | |
CBB | H20 | sing | 1.08Å | 1.08Å | |
CBC | H21 | sing | 1.08Å | 1.08Å | |
CAV | H22 | sing | 1.09Å | 1.10Å | |
CAV | H23 | sing | 1.09Å | 1.10Å | |
CAV | H24 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAV | CAU | OAW | 116.3° | 120.0° |
CAV | CAU | NAT | 118.6° | 120.0° |
CAU | CAV | H22 | 109.5° | 109.5° |
CAU | CAV | H23 | 109.5° | 109.5° |
CAU | CAV | H24 | 109.5° | 109.5° |
OAW | CAU | NAT | 124.8° | 120.0° |
CAU | NAT | CAS | 125.7° | 124.9° |
CAU | NAT | CAX | 127.4° | 124.9° |
CAS | NAT | CAX | 106.8° | 110.1° |
NAT | CAS | CAR | 110.1° | 109.7° |
NAT | CAS | H17 | 124.9° | 125.1° |
NAT | CAX | CBC | 131.3° | 133.2° |
NAT | CAX | CAY | 108.5° | 107.4° |
CAS | CAR | CAY | 107.4° | 106.7° |
CAS | CAR | CAQ | 124.5° | 126.6° |
CAR | CAS | H17 | 125.0° | 125.2° |
CBC | CAX | CAY | 120.1° | 119.4° |
CAX | CBC | CBB | 122.2° | 119.9° |
CAX | CBC | H21 | 118.9° | 120.0° |
CAX | CAY | CAR | 107.1° | 106.0° |
CAX | CAY | CAZ | 120.0° | 120.1° |
CBC | CBB | CBA | 117.3° | 120.6° |
CBC | CBB | H20 | 121.3° | 119.7° |
CBB | CBC | H21 | 118.9° | 120.0° |
CAY | CAR | CAQ | 127.9° | 126.7° |
CAR | CAY | CAZ | 132.9° | 133.9° |
CAR | CAQ | NAP | 118.1° | 120.0° |
CAR | CAQ | OBD | 120.2° | 120.0° |
CAQ | NAP | CAO | 123.9° | 120.0° |
NAP | CAQ | OBD | 121.2° | 120.0° |
CAQ | NAP | H16 | 118.1° | 120.0° |
NAP | CAO | CBE | 117.4° | 120.0° |
NAP | CAO | CAN | 124.6° | 120.0° |
CAO | NAP | H16 | 118.0° | 120.0° |
CAY | CAZ | CBA | 121.6° | 119.7° |
CAY | CAZ | H18 | 119.2° | 120.1° |
CBB | CBA | CAZ | 118.7° | 120.3° |
CBB | CBA | H19 | 120.7° | 119.9° |
CBA | CBB | H20 | 121.3° | 119.7° |
CBE | CAO | CAN | 117.6° | 120.0° |
CAO | CBE | CAC | 121.9° | 119.8° |
CAO | CBE | H15 | 119.1° | 120.1° |
CAO | CAN | CAE | 120.9° | 120.2° |
CAO | CAN | H12 | 119.5° | 119.9° |
CBE | CAC | CAB | 119.6° | 120.1° |
CBE | CAC | CAD | 120.2° | 119.8° |
CAC | CBE | H15 | 119.1° | 120.1° |
CAL | CAM | CAH | 106.9° | 109.2° |
CAM | CAL | CAK | 107.7° | 109.0° |
CAL | CAM | H1 | 110.1° | 109.5° |
CAL | CAM | H2 | 110.1° | 109.5° |
CAM | CAL | H3 | 109.9° | 109.5° |
CAM | CAL | H4 | 109.9° | 109.6° |
CAM | CAH | OAG | 106.6° | 109.5° |
CAM | CAH | OAI | 113.2° | 109.4° |
CAH | CAM | H1 | 110.1° | 109.6° |
CAH | CAM | H2 | 110.1° | 109.6° |
CAM | CAH | H9 | 109.3° | 109.5° |
CAN | CAE | CAD | 120.0° | 120.2° |
CAN | CAE | CAF | 123.5° | 119.9° |
CAE | CAN | H12 | 119.5° | 119.9° |
CAB | CAC | CAD | 120.1° | 120.1° |
CAC | CAB | OAA | 121.8° | 120.0° |
CAC | CAB | OBF | 119.3° | 120.0° |
CAC | CAD | CAE | 119.2° | 120.0° |
CAC | CAD | H13 | 120.4° | 120.0° |
CBA | CAZ | H18 | 119.2° | 120.1° |
CAZ | CBA | H19 | 120.6° | 119.9° |
CAF | OAG | CAH | 115.5° | 114.0° |
OAG | CAF | CAE | 110.1° | 109.4° |
OAG | CAF | H10 | 109.3° | 109.5° |
OAG | CAF | H11 | 109.3° | 109.5° |
OAG | CAH | OAI | 106.3° | 109.5° |
OAG | CAH | H9 | 110.8° | 109.5° |
OAA | CAB | OBF | 118.9° | 120.0° |
CAB | OBF | H14 | 109.5° | 117.0° |
CAD | CAE | CAF | 116.5° | 119.9° |
CAE | CAD | H13 | 120.4° | 120.0° |
CAE | CAF | H10 | 109.3° | 109.4° |
CAE | CAF | H11 | 109.3° | 109.5° |
CAL | CAK | CAJ | 105.4° | 109.2° |
CAK | CAL | H3 | 109.9° | 109.5° |
CAK | CAL | H4 | 109.9° | 109.6° |
CAL | CAK | H5 | 110.5° | 109.5° |
CAL | CAK | H6 | 110.5° | 109.5° |
CAH | OAI | CAJ | 111.5° | 114.1° |
OAI | CAH | H9 | 110.6° | 109.5° |
CAK | CAJ | OAI | 106.8° | 109.5° |
CAJ | CAK | H5 | 110.5° | 109.5° |
CAJ | CAK | H6 | 110.5° | 109.5° |
CAK | CAJ | H7 | 110.1° | 109.5° |
CAK | CAJ | H8 | 110.2° | 109.5° |
OAI | CAJ | H7 | 110.2° | 109.5° |
OAI | CAJ | H8 | 110.1° | 109.4° |
H1 | CAM | H2 | 109.5° | 109.6° |
H3 | CAL | H4 | 109.5° | 109.6° |
H5 | CAK | H6 | 109.5° | 109.6° |
H7 | CAJ | H8 | 109.5° | 109.5° |
H10 | CAF | H11 | 109.5° | 109.5° |
H22 | CAV | H23 | 109.4° | 109.5° |
H22 | CAV | H24 | 109.5° | 109.4° |
H23 | CAV | H24 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAV | CAU | OAW | NAT | 173.0° | 180.0° |
CAV | CAU | NAT | CAS | 1.8° | 0.0° |
CAV | CAU | NAT | CAX | 177.6° | 179.7° |
CAU | CAV | H22 | H23 | 120.0° | 120.0° |
CAU | CAV | H22 | H24 | 120.0° | 120.0° |
CAU | CAV | H23 | H24 | 120.0° | 120.0° |
OAW | CAU | NAT | CAS | 171.1° | 180.0° |
OAW | CAU | NAT | CAX | 4.8° | 0.3° |
OAW | CAU | CAV | H22 | 0.0° | 180.0° |
OAW | CAU | CAV | H23 | 120.0° | 60.0° |
OAW | CAU | CAV | H24 | 120.0° | 60.0° |
CAU | NAT | CAS | CAX | 176.5° | 179.7° |
CAU | NAT | CAS | CAR | 179.0° | 180.0° |
CAU | NAT | CAX | CBC | 4.1° | 0.4° |
CAU | NAT | CAX | CAY | 177.6° | 179.8° |
CAU | NAT | CAS | H17 | 1.1° | 0.0° |
NAT | CAU | CAV | H22 | 173.5° | 0.0° |
NAT | CAU | CAV | H23 | 53.5° | 120.0° |
NAT | CAU | CAV | H24 | 66.5° | 120.0° |
NAT | CAS | CAR | H17 | 180.0° | 179.9° |
CAS | NAT | CAX | CBC | 179.5° | 179.9° |
CAS | NAT | CAX | CAY | 1.2° | 0.4° |
NAT | CAS | CAR | CAY | 2.8° | 0.1° |
NAT | CAS | CAR | CAQ | 177.7° | 179.7° |
CAX | NAT | CAS | CAR | 2.4° | 0.2° |
NAT | CAX | CBC | CAY | 178.1° | 179.4° |
NAT | CAX | CBC | CBB | 178.4° | 179.4° |
NAT | CAX | CAY | CAR | 0.5° | 0.5° |
NAT | CAX | CAY | CAZ | 178.8° | 179.6° |
CAX | NAT | CAS | H17 | 177.6° | 179.7° |
NAT | CAX | CBC | H21 | 1.6° | 0.6° |
CAS | CAR | CAY | CAX | 2.0° | 0.3° |
CAS | CAR | CAY | CAQ | 174.7° | 179.7° |
CAS | CAR | CAQ | NAP | 22.3° | 0.4° |
CAS | CAR | CAY | CAZ | 179.9° | 179.7° |
CAS | CAR | CAQ | OBD | 149.6° | 179.7° |
CAX | CBC | CBB | H21 | 180.0° | 180.0° |
CBC | CAX | CAY | CAR | 178.0° | 180.0° |
CBC | CAX | CAY | CAZ | 0.3° | 0.1° |
CAX | CBC | CBB | CBA | 0.3° | 0.0° |
CAX | CBC | CBB | H20 | 179.7° | 180.0° |
CAY | CAX | CBC | CBB | 0.2° | 0.1° |
CAX | CAY | CAR | CAZ | 178.0° | 180.0° |
CAX | CAY | CAR | CAQ | 176.6° | 180.0° |
CAX | CAY | CAZ | CBA | 0.3° | 0.0° |
CAX | CAY | CAZ | H18 | 179.7° | 180.0° |
CAY | CAX | CBC | H21 | 179.8° | 179.9° |
CBC | CBB | CBA | H20 | 180.0° | 180.0° |
CBC | CBB | CBA | CAZ | 0.8° | 0.0° |
CBC | CBB | CBA | H19 | 179.2° | 180.0° |
CAY | CAR | CAQ | NAP | 163.9° | 180.0° |
CAY | CAR | CAQ | OBD | 24.3° | 0.1° |
CAR | CAY | CAZ | CBA | 178.0° | 180.0° |
CAY | CAR | CAS | H17 | 177.3° | 180.0° |
CAR | CAY | CAZ | H18 | 1.9° | 0.0° |
CAR | CAQ | NAP | OBD | 171.7° | 180.0° |
CAR | CAQ | NAP | CAO | 171.4° | 174.7° |
CAQ | CAR | CAY | CAZ | 5.4° | 0.0° |
CAR | CAQ | NAP | H16 | 8.7° | 5.2° |
CAQ | CAR | CAS | H17 | 2.4° | 0.3° |
CAQ | NAP | CAO | H16 | 180.0° | 179.9° |
CAQ | NAP | CAO | CBE | 139.5° | 146.9° |
CAQ | NAP | CAO | CAN | 47.3° | 33.8° |
CAO | NAP | CAQ | OBD | 0.4° | 5.3° |
NAP | CAO | CBE | CAN | 173.7° | 179.3° |
NAP | CAO | CBE | CAC | 175.1° | 180.0° |
NAP | CAO | CAN | CAE | 175.9° | 179.8° |
NAP | CAO | CAN | H12 | 4.1° | 0.2° |
NAP | CAO | CBE | H15 | 4.9° | 0.5° |
CAY | CAZ | CBA | CBB | 0.8° | 0.0° |
CAY | CAZ | CBA | H18 | 180.0° | 180.0° |
CAY | CAZ | CBA | H19 | 179.2° | 180.0° |
CBB | CBA | CAZ | H19 | 180.0° | 180.0° |
CBB | CBA | CAZ | H18 | 179.2° | 180.0° |
CBA | CBB | CBC | H21 | 179.7° | 180.0° |
OBD | CAQ | NAP | H16 | 179.6° | 174.7° |
CAO | CBE | CAC | H15 | 180.0° | 179.4° |
CBE | CAO | CAN | CAE | 2.7° | 0.4° |
CAO | CBE | CAC | CAB | 178.4° | 179.5° |
CAO | CBE | CAC | CAD | 0.4° | 0.5° |
CBE | CAO | CAN | H12 | 177.3° | 179.5° |
CBE | CAO | NAP | H16 | 40.5° | 33.2° |
CAN | CAO | CBE | CAC | 1.4° | 0.7° |
CAO | CAN | CAE | H12 | 180.0° | 179.9° |
CAO | CAN | CAE | CAD | 2.2° | 0.1° |
CAO | CAN | CAE | CAF | 177.3° | 179.8° |
CAN | CAO | CBE | H15 | 178.6° | 179.9° |
CAN | CAO | NAP | H16 | 132.8° | 146.1° |
CBE | CAC | CAB | CAD | 178.1° | 180.0° |
CBE | CAC | CAB | OAA | 13.5° | 180.0° |
CBE | CAC | CAB | OBF | 167.0° | 0.0° |
CBE | CAC | CAD | CAE | 1.0° | 0.0° |
CBE | CAC | CAD | H13 | 179.1° | 179.9° |
CAL | CAM | CAH | H1 | 119.6° | 119.9° |
CAL | CAM | CAH | H2 | 119.6° | 119.9° |
CAL | CAM | CAH | OAG | 168.8° | 177.6° |
CAM | CAL | CAK | H3 | 119.7° | 119.8° |
CAM | CAL | CAK | H4 | 119.7° | 119.9° |
CAL | CAM | CAH | OAI | 52.3° | 57.6° |
CAM | CAL | CAK | CAJ | 70.9° | 56.9° |
CAL | CAM | H1 | H2 | 121.2° | 120.1° |
CAM | CAL | H3 | H4 | 120.9° | 120.2° |
CAM | CAL | CAK | H5 | 169.7° | 176.8° |
CAM | CAL | CAK | H6 | 48.4° | 62.9° |
CAL | CAM | CAH | H9 | 71.4° | 62.4° |
CAM | CAH | OAG | CAF | 152.8° | 175.0° |
CAM | CAH | OAG | OAI | 121.0° | 120.0° |
CAM | CAH | OAG | H9 | 118.8° | 120.0° |
CAH | CAM | CAL | CAK | 61.1° | 57.0° |
CAM | CAH | OAI | H9 | 123.0° | 120.0° |
CAM | CAH | OAI | CAJ | 53.7° | 61.1° |
CAH | CAM | H1 | H2 | 121.2° | 120.2° |
CAH | CAM | CAL | H3 | 58.7° | 62.9° |
CAH | CAM | CAL | H4 | 179.2° | 176.9° |
CAN | CAE | CAD | CAC | 0.3° | 0.3° |
CAN | CAE | CAF | OAG | 21.5° | 89.7° |
CAN | CAE | CAD | CAF | 179.5° | 179.7° |
CAN | CAE | CAF | H10 | 141.6° | 150.3° |
CAN | CAE | CAF | H11 | 98.6° | 30.3° |
CAN | CAE | CAD | H13 | 179.7° | 179.7° |
CAC | CAB | OAA | OBF | 179.6° | 179.9° |
CAB | CAC | CAD | CAE | 179.0° | 180.0° |
CAB | CAC | CAD | H13 | 1.0° | 0.1° |
CAC | CAB | OBF | H14 | 179.6° | 179.9° |
CAB | CAC | CBE | H15 | 1.5° | 0.1° |
CAD | CAC | CAB | OAA | 164.6° | 0.1° |
CAD | CAC | CAB | OBF | 15.0° | 180.0° |
CAC | CAD | CAE | H13 | 180.0° | 179.9° |
CAC | CAD | CAE | CAF | 179.2° | 180.0° |
CAD | CAC | CBE | H15 | 179.6° | 179.9° |
CAZ | CBA | CBB | H20 | 179.2° | 179.9° |
OAG | CAF | CAE | CAD | 159.0° | 90.0° |
OAG | CAF | CAE | H10 | 120.1° | 120.0° |
OAG | CAF | CAE | H11 | 120.1° | 120.0° |
CAF | OAG | CAH | OAI | 86.2° | 65.0° |
CAF | OAG | CAH | H9 | 34.0° | 55.0° |
OAG | CAF | H10 | H11 | 119.7° | 120.1° |
CAH | OAG | CAF | CAE | 157.1° | 180.0° |
OAG | CAH | OAI | H9 | 120.4° | 120.0° |
OAG | CAH | OAI | CAJ | 170.3° | 178.9° |
OAG | CAH | CAM | H1 | 49.2° | 57.7° |
OAG | CAH | CAM | H2 | 71.6° | 62.5° |
CAH | OAG | CAF | H10 | 82.8° | 60.0° |
CAH | OAG | CAF | H11 | 37.1° | 60.0° |
OAA | CAB | OBF | H14 | 0.0° | 0.0° |
CAD | CAE | CAF | H10 | 38.9° | 30.0° |
CAD | CAE | CAF | H11 | 80.9° | 150.0° |
CAD | CAE | CAN | H12 | 177.8° | 180.0° |
CAE | CAF | H10 | H11 | 119.7° | 120.0° |
CAF | CAE | CAN | H12 | 2.7° | 0.3° |
CAF | CAE | CAD | H13 | 0.8° | 0.0° |
CAL | CAK | CAJ | H5 | 119.3° | 119.9° |
CAL | CAK | CAJ | H6 | 119.3° | 119.9° |
CAL | CAK | CAJ | OAI | 69.2° | 57.6° |
CAK | CAL | CAM | H1 | 58.5° | 63.0° |
CAK | CAL | CAM | H2 | 179.3° | 176.9° |
CAK | CAL | H3 | H4 | 120.8° | 120.2° |
CAL | CAK | H5 | H6 | 121.9° | 120.2° |
CAL | CAK | CAJ | H7 | 50.3° | 62.4° |
CAL | CAK | CAJ | H8 | 171.2° | 177.6° |
CAH | OAI | CAJ | CAK | 60.7° | 61.1° |
OAI | CAH | CAM | H1 | 67.3° | 62.3° |
OAI | CAH | CAM | H2 | 171.9° | 177.5° |
CAH | OAI | CAJ | H7 | 58.9° | 58.9° |
CAH | OAI | CAJ | H8 | 179.7° | 178.9° |
CAK | CAJ | OAI | H7 | 119.6° | 120.0° |
CAK | CAJ | OAI | H8 | 119.6° | 120.0° |
CAJ | CAK | CAL | H3 | 48.8° | 62.9° |
CAJ | CAK | CAL | H4 | 169.3° | 176.8° |
CAJ | CAK | H5 | H6 | 121.9° | 120.2° |
CAK | CAJ | H7 | H8 | 121.3° | 120.0° |
OAI | CAJ | CAK | H5 | 171.4° | 177.5° |
OAI | CAJ | CAK | H6 | 50.1° | 62.3° |
OAI | CAJ | H7 | H8 | 121.2° | 120.0° |
CAJ | OAI | CAH | H9 | 69.3° | 58.9° |
H1 | CAM | CAL | H3 | 178.3° | 177.2° |
H1 | CAM | CAL | H4 | 61.2° | 56.9° |
H1 | CAM | CAH | H9 | 169.0° | 177.7° |
H2 | CAM | CAL | H3 | 60.9° | 57.1° |
H2 | CAM | CAL | H4 | 59.6° | 63.2° |
H2 | CAM | CAH | H9 | 48.2° | 57.5° |
H3 | CAL | CAK | H5 | 70.5° | 57.0° |
H3 | CAL | CAK | H6 | 168.2° | 177.2° |
H4 | CAL | CAK | H5 | 50.0° | 63.2° |
H4 | CAL | CAK | H6 | 71.3° | 57.0° |
H5 | CAK | CAJ | H7 | 69.0° | 57.5° |
H5 | CAK | CAJ | H8 | 51.9° | 62.5° |
H6 | CAK | CAJ | H7 | 169.7° | 177.7° |
H6 | CAK | CAJ | H8 | 69.5° | 57.7° |
H18 | CAZ | CBA | H19 | 0.8° | 0.0° |
H19 | CBA | CBB | H20 | 0.8° | 0.1° |
H20 | CBB | CBC | H21 | 0.3° | 0.1° |
H22 | CAV | H23 | H24 | 120.0° | 120.0° |