38G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAT | CAU | doub | 1.36Å | 1.39Å | Aromatic |
CAT | CAR | sing | 1.41Å | 1.33Å | Aromatic |
NAQ | CAR | doub | 1.33Å | 1.34Å | Aromatic |
NAQ | CAP | sing | 1.33Å | 1.35Å | Aromatic |
CAU | CAV | sing | 1.41Å | 1.39Å | Aromatic |
CAR | NAS | sing | 1.37Å | 1.35Å | Aromatic |
CAP | CAG | doub | 1.38Å | 1.34Å | Aromatic |
CBC | CBB | doub | 1.38Å | 1.39Å | Aromatic |
CBC | CAX | sing | 1.39Å | 1.40Å | Aromatic |
CAV | CAX | sing | 1.48Å | 1.39Å | |
CAV | NAW | doub | 1.32Å | 1.34Å | Aromatic |
NAS | CAG | sing | 1.37Å | 1.34Å | Aromatic |
NAS | NAW | sing | 1.40Å | 1.28Å | Aromatic |
CBB | CBA | sing | 1.39Å | 1.39Å | Aromatic |
CAG | CAB | sing | 1.48Å | 1.35Å | |
CAX | CAY | doub | 1.39Å | 1.39Å | Aromatic |
CAB | CAC | doub | 1.40Å | 1.39Å | Aromatic |
CAB | CAA | sing | 1.40Å | 1.40Å | Aromatic |
CBA | OBD | sing | 1.36Å | 1.36Å | |
CBA | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
CAC | CAD | sing | 1.38Å | 1.40Å | Aromatic |
CAY | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
CAZ | OBE | sing | 1.36Å | 1.37Å | |
CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
CAF | CAH | sing | 1.51Å | 1.40Å | |
OBE | CBF | sing | 1.43Å | 1.43Å | |
CAH | OAI | sing | 1.43Å | 1.43Å | |
CAH | NAJ | sing | 1.47Å | 1.47Å | |
CAL | NAM | sing | 1.47Å | 1.47Å | |
CAL | CAK | sing | 1.53Å | 1.54Å | |
NAJ | CAK | sing | 1.47Å | 1.47Å | |
NAM | CAN | sing | 1.47Å | 1.47Å | |
NAM | CAO | sing | 1.47Å | 1.47Å | |
CBF | H1 | sing | 1.09Å | 1.10Å | |
CBF | H2 | sing | 1.09Å | 1.10Å | |
CBF | H3 | sing | 1.09Å | 1.10Å | |
CAY | H4 | sing | 1.08Å | 1.08Å | |
OBD | H5 | sing | 0.97Å | 0.95Å | |
CBB | H6 | sing | 1.08Å | 1.08Å | |
CBC | H7 | sing | 1.08Å | 1.08Å | |
CAU | H8 | sing | 1.08Å | 1.08Å | |
CAT | H9 | sing | 1.08Å | 1.08Å | |
CAP | H10 | sing | 1.08Å | 1.08Å | |
CAA | H11 | sing | 1.08Å | 1.08Å | |
CAC | H12 | sing | 1.08Å | 1.08Å | |
CAD | H13 | sing | 1.08Å | 1.08Å | |
CAE | H14 | sing | 1.08Å | 1.08Å | |
CAH | H15 | sing | 1.09Å | 1.10Å | |
OAI | H16 | sing | 0.97Å | 0.95Å | |
NAJ | H17 | sing | 1.01Å | 1.00Å | |
CAK | H19 | sing | 1.09Å | 1.10Å | |
CAK | H20 | sing | 1.09Å | 1.10Å | |
CAL | H21 | sing | 1.09Å | 1.10Å | |
CAL | H22 | sing | 1.09Å | 1.10Å | |
CAO | H24 | sing | 1.09Å | 1.10Å | |
CAO | H25 | sing | 1.09Å | 1.10Å | |
CAO | H26 | sing | 1.09Å | 1.10Å | |
CAN | H27 | sing | 1.09Å | 1.10Å | |
CAN | H28 | sing | 1.09Å | 1.10Å | |
CAN | H29 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAU | CAT | CAR | 118.3° | 119.3° |
CAT | CAU | CAV | 119.8° | 120.1° |
CAT | CAU | H8 | 120.1° | 119.9° |
CAU | CAT | H9 | 120.8° | 120.4° |
CAT | CAR | NAQ | 131.6° | 132.3° |
CAT | CAR | NAS | 118.9° | 119.2° |
CAR | CAT | H9 | 120.8° | 120.3° |
CAR | NAQ | CAP | 106.9° | 109.5° |
NAQ | CAR | NAS | 109.4° | 108.5° |
NAQ | CAP | CAG | 108.3° | 108.3° |
NAQ | CAP | H10 | 125.8° | 125.8° |
CAU | CAV | CAX | 118.4° | 119.6° |
CAU | CAV | NAW | 118.1° | 120.7° |
CAV | CAU | H8 | 120.1° | 120.0° |
CAR | NAS | CAG | 106.9° | 107.1° |
CAR | NAS | NAW | 124.5° | 120.2° |
CAP | CAG | NAS | 108.5° | 106.7° |
CAP | CAG | CAB | 124.3° | 126.6° |
CAG | CAP | H10 | 125.8° | 125.9° |
CBB | CBC | CAX | 122.0° | 120.1° |
CBC | CBB | CBA | 116.7° | 120.1° |
CBC | CBB | H6 | 121.6° | 119.9° |
CBB | CBC | H7 | 119.0° | 119.9° |
CBC | CAX | CAV | 119.8° | 120.1° |
CBC | CAX | CAY | 120.7° | 119.9° |
CAX | CBC | H7 | 119.0° | 120.0° |
CAX | CAV | NAW | 122.5° | 119.7° |
CAV | CAX | CAY | 119.5° | 120.1° |
CAV | NAW | NAS | 120.0° | 120.5° |
CAG | NAS | NAW | 128.6° | 132.7° |
NAS | CAG | CAB | 127.2° | 126.7° |
CBB | CBA | OBD | 121.5° | 119.9° |
CBB | CBA | CAZ | 121.9° | 120.1° |
CBA | CBB | H6 | 121.7° | 120.0° |
CAG | CAB | CAC | 119.8° | 120.1° |
CAG | CAB | CAA | 122.6° | 120.2° |
CAX | CAY | CAZ | 117.9° | 119.9° |
CAX | CAY | H4 | 121.0° | 120.0° |
CAC | CAB | CAA | 117.6° | 119.7° |
CAB | CAC | CAD | 120.6° | 119.8° |
CAB | CAC | H12 | 119.7° | 120.1° |
CAB | CAA | CAF | 122.3° | 119.8° |
CAB | CAA | H11 | 118.9° | 120.1° |
OBD | CBA | CAZ | 116.5° | 120.0° |
CBA | OBD | H5 | 109.5° | 114.0° |
CBA | CAZ | CAY | 120.7° | 120.0° |
CBA | CAZ | OBE | 116.5° | 120.0° |
CAC | CAD | CAE | 120.9° | 120.2° |
CAD | CAC | H12 | 119.7° | 120.1° |
CAC | CAD | H13 | 119.6° | 119.9° |
CAY | CAZ | OBE | 122.8° | 120.0° |
CAZ | CAY | H4 | 121.1° | 120.1° |
CAZ | OBE | CBF | 114.5° | 117.0° |
CAA | CAF | CAE | 119.5° | 120.2° |
CAA | CAF | CAH | 119.7° | 119.9° |
CAF | CAA | H11 | 118.9° | 120.1° |
CAD | CAE | CAF | 119.2° | 120.3° |
CAE | CAD | H13 | 119.6° | 120.0° |
CAD | CAE | H14 | 120.4° | 119.8° |
CAE | CAF | CAH | 120.8° | 119.9° |
CAF | CAE | H14 | 120.4° | 119.9° |
CAF | CAH | OAI | 111.5° | 109.5° |
CAF | CAH | NAJ | 110.6° | 109.4° |
CAF | CAH | H15 | 108.5° | 109.5° |
OBE | CBF | H1 | 109.5° | 109.4° |
OBE | CBF | H2 | 109.5° | 109.5° |
OBE | CBF | H3 | 109.5° | 109.5° |
OAI | CAH | NAJ | 110.3° | 109.5° |
OAI | CAH | H15 | 108.1° | 109.5° |
CAH | OAI | H16 | 109.5° | 114.0° |
CAH | NAJ | CAK | 111.8° | 111.0° |
NAJ | CAH | H15 | 107.6° | 109.4° |
CAH | NAJ | H17 | 108.9° | 111.0° |
NAM | CAL | CAK | 111.3° | 109.5° |
CAL | NAM | CAN | 109.1° | 111.0° |
CAL | NAM | CAO | 109.0° | 111.0° |
NAM | CAL | H21 | 109.0° | 109.5° |
NAM | CAL | H22 | 109.0° | 109.5° |
CAL | CAK | NAJ | 109.2° | 109.5° |
CAL | CAK | H19 | 109.5° | 109.5° |
CAL | CAK | H20 | 109.5° | 109.5° |
CAK | CAL | H21 | 109.0° | 109.4° |
CAK | CAL | H22 | 109.0° | 109.5° |
CAK | NAJ | H17 | 108.9° | 110.9° |
NAJ | CAK | H19 | 109.5° | 109.5° |
NAJ | CAK | H20 | 109.5° | 109.5° |
CAN | NAM | CAO | 108.6° | 110.9° |
NAM | CAN | H27 | 109.5° | 109.5° |
NAM | CAN | H28 | 109.5° | 109.5° |
NAM | CAN | H29 | 109.5° | 109.5° |
NAM | CAO | H24 | 109.5° | 109.5° |
NAM | CAO | H25 | 109.5° | 109.5° |
NAM | CAO | H26 | 109.5° | 109.4° |
H1 | CBF | H2 | 109.5° | 109.4° |
H1 | CBF | H3 | 109.5° | 109.5° |
H2 | CBF | H3 | 109.5° | 109.5° |
H19 | CAK | H20 | 109.5° | 109.4° |
H21 | CAL | H22 | 109.5° | 109.5° |
H24 | CAO | H25 | 109.5° | 109.5° |
H24 | CAO | H26 | 109.5° | 109.4° |
H25 | CAO | H26 | 109.5° | 109.5° |
H27 | CAN | H28 | 109.5° | 109.5° |
H27 | CAN | H29 | 109.5° | 109.4° |
H28 | CAN | H29 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAU | CAT | CAR | H9 | 180.0° | 180.0° |
CAU | CAT | CAR | NAQ | 179.2° | 180.0° |
CAT | CAU | CAV | H8 | 180.0° | 180.0° |
CAU | CAT | CAR | NAS | 0.1° | 0.2° |
CAT | CAU | CAV | CAX | 175.5° | 180.0° |
CAT | CAU | CAV | NAW | 7.1° | 0.2° |
CAT | CAR | NAQ | NAS | 179.4° | 179.8° |
CAT | CAR | NAQ | CAP | 179.8° | 180.0° |
CAR | CAT | CAU | CAV | 3.3° | 0.0° |
CAT | CAR | NAS | CAG | 179.6° | 179.7° |
CAT | CAR | NAS | NAW | 0.9° | 0.2° |
CAR | CAT | CAU | H8 | 176.7° | 180.0° |
CAR | NAQ | CAP | CAG | 0.3° | 0.5° |
NAQ | CAR | NAS | CAG | 1.0° | 0.1° |
NAQ | CAR | NAS | NAW | 178.6° | 179.9° |
NAQ | CAR | CAT | H9 | 0.8° | 0.0° |
CAR | NAQ | CAP | H10 | 179.6° | 179.9° |
CAP | NAQ | CAR | NAS | 0.8° | 0.2° |
NAQ | CAP | CAG | H10 | 180.0° | 179.6° |
NAQ | CAP | CAG | NAS | 0.3° | 0.5° |
NAQ | CAP | CAG | CAB | 179.2° | 179.8° |
CAU | CAV | CAX | CBC | 18.2° | 0.2° |
CAU | CAV | CAX | NAW | 167.8° | 179.8° |
CAU | CAV | NAW | NAS | 7.9° | 0.2° |
CAU | CAV | CAX | CAY | 162.0° | 179.5° |
CAV | CAU | CAT | H9 | 176.7° | 180.0° |
CAR | NAS | CAG | CAP | 0.8° | 0.3° |
CAR | NAS | NAW | CAV | 5.0° | 0.0° |
CAR | NAS | CAG | NAW | 179.5° | 180.0° |
CAR | NAS | CAG | CAB | 179.6° | 180.0° |
NAS | CAR | CAT | H9 | 179.9° | 179.8° |
CAP | CAG | NAS | CAB | 178.8° | 179.7° |
CAP | CAG | NAS | NAW | 178.7° | 179.7° |
CAP | CAG | CAB | CAC | 3.1° | 179.6° |
CAP | CAG | CAB | CAA | 176.1° | 0.7° |
CBB | CBC | CAX | H7 | 180.0° | 179.7° |
CBB | CBC | CAX | CAV | 178.3° | 180.0° |
CBC | CBB | CBA | H6 | 180.0° | 179.9° |
CBB | CBC | CAX | CAY | 1.9° | 0.2° |
CBC | CBB | CBA | OBD | 178.9° | 180.0° |
CBC | CBB | CBA | CAZ | 0.7° | 0.1° |
CBC | CAX | CAV | CAY | 179.7° | 179.8° |
CBC | CAX | CAV | NAW | 173.9° | 180.0° |
CAX | CBC | CBB | CBA | 0.6° | 0.2° |
CBC | CAX | CAY | CAZ | 1.8° | 0.0° |
CBC | CAX | CAY | H4 | 178.2° | 180.0° |
CAX | CBC | CBB | H6 | 179.4° | 179.8° |
CAX | CAV | NAW | NAS | 175.7° | 180.0° |
CAV | CAX | CAY | CAZ | 178.4° | 179.8° |
CAV | CAX | CAY | H4 | 1.5° | 0.2° |
CAV | CAX | CBC | H7 | 1.7° | 0.3° |
CAX | CAV | CAU | H8 | 4.5° | 0.0° |
CAV | NAW | NAS | CAG | 175.6° | 180.0° |
NAW | CAV | CAX | CAY | 5.8° | 0.2° |
NAW | CAV | CAU | H8 | 172.9° | 179.7° |
NAS | CAG | CAB | CAC | 178.3° | 0.0° |
NAS | CAG | CAB | CAA | 2.5° | 179.7° |
NAS | CAG | CAP | H10 | 179.8° | 179.9° |
NAW | NAS | CAG | CAB | 0.1° | 0.0° |
CBB | CBA | OBD | CAZ | 178.3° | 179.9° |
CBB | CBA | CAZ | CAY | 0.8° | 0.3° |
CBB | CBA | CAZ | OBE | 179.2° | 179.9° |
CBB | CBA | OBD | H5 | 180.0° | 89.9° |
CBA | CBB | CBC | H7 | 179.4° | 179.9° |
CAG | CAB | CAC | CAA | 179.2° | 179.7° |
CAG | CAB | CAC | CAD | 180.0° | 180.0° |
CAG | CAB | CAA | CAF | 179.4° | 180.0° |
CAB | CAG | CAP | H10 | 0.9° | 0.2° |
CAG | CAB | CAA | H11 | 0.6° | 0.1° |
CAG | CAB | CAC | H12 | 0.1° | 0.1° |
CAX | CAY | CAZ | CBA | 0.5° | 0.3° |
CAX | CAY | CAZ | H4 | 180.0° | 180.0° |
CAX | CAY | CAZ | OBE | 179.6° | 180.0° |
CAY | CAX | CBC | H7 | 178.1° | 180.0° |
CAB | CAC | CAD | H12 | 180.0° | 180.0° |
CAC | CAB | CAA | CAF | 0.2° | 0.3° |
CAB | CAC | CAD | CAE | 0.2° | 0.1° |
CAC | CAB | CAA | H11 | 179.8° | 179.8° |
CAB | CAC | CAD | H13 | 179.8° | 180.0° |
CAA | CAB | CAC | CAD | 0.8° | 0.3° |
CAB | CAA | CAF | H11 | 180.0° | 179.9° |
CAB | CAA | CAF | CAE | 1.0° | 0.0° |
CAB | CAA | CAF | CAH | 177.3° | 180.0° |
CAA | CAB | CAC | H12 | 179.2° | 179.7° |
OBD | CBA | CAZ | CAY | 179.1° | 179.8° |
OBD | CBA | CAZ | OBE | 0.9° | 0.0° |
OBD | CBA | CBB | H6 | 1.0° | 0.1° |
CBA | CAZ | CAY | OBE | 179.9° | 179.7° |
CBA | CAZ | OBE | CBF | 179.8° | 179.7° |
CBA | CAZ | CAY | H4 | 179.5° | 179.8° |
CAZ | CBA | OBD | H5 | 1.7° | 90.0° |
CAZ | CBA | CBB | H6 | 179.2° | 180.0° |
CAC | CAD | CAE | H13 | 180.0° | 180.0° |
CAC | CAD | CAE | CAF | 1.0° | 0.2° |
CAC | CAD | CAE | H14 | 179.0° | 179.9° |
CAY | CAZ | OBE | CBF | 0.1° | 0.1° |
CAZ | OBE | CBF | H1 | 180.0° | 60.1° |
CAZ | OBE | CBF | H2 | 60.0° | 180.0° |
CAZ | OBE | CBF | H3 | 60.0° | 59.9° |
OBE | CAZ | CAY | H4 | 0.4° | 0.0° |
CAA | CAF | CAE | CAD | 1.6° | 0.2° |
CAA | CAF | CAE | CAH | 176.2° | 180.0° |
CAA | CAF | CAH | OAI | 66.1° | 90.0° |
CAA | CAF | CAH | NAJ | 170.8° | 150.0° |
CAA | CAF | CAE | H14 | 178.4° | 179.9° |
CAA | CAF | CAH | H15 | 52.9° | 30.1° |
CAD | CAE | CAF | H14 | 180.0° | 179.7° |
CAD | CAE | CAF | CAH | 177.8° | 179.8° |
CAE | CAD | CAC | H12 | 179.8° | 180.0° |
CAE | CAF | CAH | OAI | 117.7° | 90.0° |
CAE | CAF | CAH | NAJ | 5.4° | 30.0° |
CAE | CAF | CAA | H11 | 179.0° | 179.9° |
CAF | CAE | CAD | H13 | 179.0° | 179.8° |
CAE | CAF | CAH | H15 | 123.2° | 149.9° |
CAF | CAH | OAI | NAJ | 123.3° | 120.0° |
CAF | CAH | OAI | H15 | 119.2° | 120.0° |
CAF | CAH | NAJ | H15 | 118.4° | 119.9° |
CAF | CAH | NAJ | CAK | 170.5° | 145.0° |
CAH | CAF | CAA | H11 | 2.7° | 0.1° |
CAH | CAF | CAE | H14 | 2.2° | 0.1° |
CAF | CAH | OAI | H16 | 180.0° | 60.0° |
CAF | CAH | NAJ | H17 | 69.2° | 91.1° |
OBE | CBF | H1 | H2 | 120.0° | 119.9° |
OBE | CBF | H1 | H3 | 120.0° | 120.0° |
OBE | CBF | H2 | H3 | 120.0° | 120.1° |
OAI | CAH | NAJ | H15 | 117.7° | 120.0° |
OAI | CAH | NAJ | CAK | 65.6° | 95.0° |
OAI | CAH | NAJ | H17 | 54.7° | 28.9° |
CAH | NAJ | CAK | CAL | 61.0° | 180.0° |
CAH | NAJ | CAK | H17 | 120.3° | 123.9° |
NAJ | CAH | OAI | H16 | 56.7° | 60.0° |
CAH | NAJ | CAK | H19 | 179.0° | 60.0° |
CAH | NAJ | CAK | H20 | 58.9° | 60.0° |
NAM | CAL | CAK | H21 | 120.3° | 120.0° |
NAM | CAL | CAK | H22 | 120.3° | 120.0° |
NAM | CAL | CAK | NAJ | 178.0° | 180.0° |
CAL | NAM | CAN | CAO | 118.7° | 123.9° |
NAM | CAL | CAK | H19 | 58.1° | 59.9° |
NAM | CAL | CAK | H20 | 62.0° | 60.0° |
NAM | CAL | H21 | H22 | 119.2° | 120.0° |
CAL | NAM | CAO | H24 | 180.0° | 60.0° |
CAL | NAM | CAO | H25 | 60.0° | 180.0° |
CAL | NAM | CAO | H26 | 60.0° | 60.0° |
CAL | NAM | CAN | H27 | 180.0° | 60.0° |
CAL | NAM | CAN | H28 | 60.0° | 180.0° |
CAL | NAM | CAN | H29 | 60.0° | 59.9° |
CAL | CAK | NAJ | H19 | 119.9° | 120.0° |
CAL | CAK | NAJ | H20 | 120.0° | 120.0° |
CAK | CAL | NAM | CAN | 57.6° | 170.0° |
CAK | CAL | NAM | CAO | 60.8° | 66.1° |
CAL | CAK | NAJ | H17 | 178.6° | 56.1° |
CAL | CAK | H19 | H20 | 120.1° | 119.9° |
CAK | CAL | H21 | H22 | 119.1° | 120.0° |
CAK | NAJ | CAH | H15 | 52.1° | 25.1° |
NAJ | CAK | H19 | H20 | 120.1° | 120.0° |
NAJ | CAK | CAL | H21 | 61.7° | 60.0° |
NAJ | CAK | CAL | H22 | 57.7° | 60.0° |
CAN | NAM | CAL | H21 | 62.7° | 70.0° |
CAN | NAM | CAL | H22 | 177.9° | 50.1° |
CAN | NAM | CAO | H24 | 61.2° | 63.9° |
CAN | NAM | CAO | H25 | 58.8° | 56.1° |
CAN | NAM | CAO | H26 | 178.8° | 176.1° |
NAM | CAN | H27 | H28 | 120.0° | 120.0° |
NAM | CAN | H27 | H29 | 120.0° | 120.0° |
NAM | CAN | H28 | H29 | 120.0° | 120.1° |
CAO | NAM | CAL | H21 | 178.9° | 53.9° |
CAO | NAM | CAL | H22 | 59.4° | 173.9° |
NAM | CAO | H24 | H25 | 120.0° | 120.1° |
NAM | CAO | H24 | H26 | 120.0° | 120.0° |
NAM | CAO | H25 | H26 | 120.0° | 120.0° |
CAO | NAM | CAN | H27 | 61.3° | 176.1° |
CAO | NAM | CAN | H28 | 178.7° | 56.1° |
CAO | NAM | CAN | H29 | 58.7° | 64.0° |
H1 | CBF | H2 | H3 | 120.0° | 120.0° |
H6 | CBB | CBC | H7 | 0.6° | 0.0° |
H8 | CAU | CAT | H9 | 3.3° | 0.0° |
H12 | CAC | CAD | H13 | 0.2° | 0.0° |
H13 | CAD | CAE | H14 | 1.0° | 0.0° |
H15 | CAH | OAI | H16 | 60.8° | 180.0° |
H15 | CAH | NAJ | H17 | 172.4° | 148.9° |
H17 | NAJ | CAK | H19 | 58.7° | 176.1° |
H17 | NAJ | CAK | H20 | 61.4° | 64.0° |
H19 | CAK | CAL | H21 | 178.4° | 179.9° |
H19 | CAK | CAL | H22 | 62.2° | 60.0° |
H20 | CAK | CAL | H21 | 58.2° | 60.0° |
H20 | CAK | CAL | H22 | 177.7° | 179.9° |
H24 | CAO | H25 | H26 | 120.0° | 120.0° |
H27 | CAN | H28 | H29 | 120.0° | 120.0° |