H8G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAC | NAX | sing | 1.47Å | 1.39Å | |
CAI | CAR | doub | 1.33Å | 1.32Å | Aromatic |
CAI | NAO | sing | 1.39Å | 1.31Å | Aromatic |
CAL | CAR | sing | 1.51Å | 1.39Å | |
CAL | CAW | sing | 1.54Å | 1.53Å | |
CAR | CAU | sing | 1.46Å | 1.34Å | Aromatic |
NAO | CAT | sing | 1.36Å | 1.33Å | Aromatic |
NAX | CAW | sing | 1.46Å | 1.47Å | |
NAX | CAM | sing | 1.47Å | 1.47Å | |
CAW | CAQ | sing | 1.51Å | 1.39Å | |
CAU | CAT | sing | 1.40Å | 1.34Å | Aromatic |
CAU | CAS | doub | 1.41Å | 1.33Å | Aromatic |
CAT | CAH | doub | 1.39Å | 1.34Å | Aromatic |
CAM | CAV | sing | 1.53Å | 1.52Å | |
CAQ | CAS | sing | 1.48Å | 1.39Å | |
CAQ | CAE | doub | 1.32Å | 1.40Å | |
CAS | CAG | sing | 1.38Å | 1.39Å | Aromatic |
CAH | CAF | sing | 1.39Å | 1.39Å | Aromatic |
CAV | CAE | sing | 1.51Å | 1.39Å | |
CAV | NAN | sing | 1.46Å | 1.44Å | |
CAA | CAJ | sing | 1.53Å | 1.50Å | |
NAN | CAP | sing | 1.35Å | 1.46Å | |
CAG | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAJ | NAY | sing | 1.46Å | 1.43Å | |
CAP | NAY | sing | 1.35Å | 1.46Å | |
CAP | OAD | doub | 1.22Å | 1.23Å | |
NAY | CAK | sing | 1.47Å | 1.42Å | |
CAK | CAB | sing | 1.53Å | 1.53Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAB | H4 | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.09Å | 1.10Å | |
CAB | H6 | sing | 1.09Å | 1.10Å | |
CAC | H7 | sing | 1.09Å | 1.10Å | |
CAC | H8 | sing | 1.09Å | 1.10Å | |
CAC | H9 | sing | 1.09Å | 1.10Å | |
CAE | H10 | sing | 1.08Å | 1.08Å | |
CAF | H12 | sing | 1.08Å | 1.08Å | |
CAG | H13 | sing | 1.08Å | 1.08Å | |
CAH | H14 | sing | 1.08Å | 1.08Å | |
CAI | H15 | sing | 1.08Å | 1.08Å | |
CAJ | H16 | sing | 1.09Å | 1.10Å | |
CAJ | H17 | sing | 1.09Å | 1.10Å | |
CAK | H18 | sing | 1.09Å | 1.10Å | |
CAK | H19 | sing | 1.09Å | 1.10Å | |
CAL | H20 | sing | 1.09Å | 1.10Å | |
CAL | H21 | sing | 1.09Å | 1.10Å | |
CAM | H22 | sing | 1.09Å | 1.10Å | |
CAM | H23 | sing | 1.09Å | 1.10Å | |
CAV | H25 | sing | 1.09Å | 1.10Å | |
CAW | H26 | sing | 1.09Å | 1.10Å | |
NAN | H27 | sing | 0.97Å | 1.00Å | |
NAO | H28 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | NAX | CAW | 109.9° | 111.0° |
CAC | NAX | CAM | 109.2° | 111.1° |
NAX | CAC | H7 | 109.5° | 109.5° |
NAX | CAC | H8 | 109.5° | 109.5° |
NAX | CAC | H9 | 109.5° | 109.5° |
CAR | CAI | NAO | 113.4° | 110.3° |
CAI | CAR | CAL | 136.5° | 135.1° |
CAI | CAR | CAU | 102.0° | 105.1° |
CAR | CAI | H15 | 123.3° | 124.8° |
CAI | NAO | CAT | 107.1° | 110.4° |
NAO | CAI | H15 | 123.3° | 124.8° |
CAI | NAO | H28 | 126.5° | 124.8° |
CAR | CAL | CAW | 111.6° | 109.4° |
CAL | CAR | CAU | 121.6° | 119.8° |
CAR | CAL | H20 | 108.9° | 109.5° |
CAR | CAL | H21 | 108.9° | 109.5° |
CAL | CAW | NAX | 110.5° | 109.5° |
CAL | CAW | CAQ | 110.2° | 113.5° |
CAW | CAL | H20 | 108.9° | 109.5° |
CAW | CAL | H21 | 108.9° | 109.5° |
CAL | CAW | H26 | 107.9° | 106.9° |
CAR | CAU | CAT | 112.5° | 108.8° |
CAR | CAU | CAS | 123.0° | 125.6° |
NAO | CAT | CAU | 105.1° | 105.3° |
NAO | CAT | CAH | 136.2° | 137.4° |
CAT | NAO | H28 | 126.5° | 124.8° |
CAW | NAX | CAM | 108.2° | 113.1° |
NAX | CAW | CAQ | 109.8° | 112.9° |
NAX | CAW | H26 | 108.7° | 106.5° |
NAX | CAM | CAV | 113.8° | 108.4° |
NAX | CAM | H22 | 108.4° | 109.6° |
NAX | CAM | H23 | 108.4° | 109.9° |
CAW | CAQ | CAS | 117.8° | 117.8° |
CAW | CAQ | CAE | 120.0° | 123.1° |
CAQ | CAW | H26 | 109.7° | 107.1° |
CAT | CAU | CAS | 124.5° | 125.6° |
CAU | CAT | CAH | 118.7° | 117.3° |
CAU | CAS | CAQ | 118.0° | 114.2° |
CAU | CAS | CAG | 118.3° | 115.6° |
CAT | CAH | CAF | 120.4° | 117.6° |
CAT | CAH | H14 | 119.8° | 121.2° |
CAM | CAV | CAE | 109.1° | 108.3° |
CAM | CAV | NAN | 108.1° | 109.7° |
CAV | CAM | H22 | 108.4° | 109.6° |
CAV | CAM | H23 | 108.4° | 109.6° |
CAM | CAV | H25 | 108.8° | 109.7° |
CAS | CAQ | CAE | 120.2° | 119.1° |
CAQ | CAS | CAG | 123.7° | 130.2° |
CAQ | CAE | CAV | 126.7° | 121.7° |
CAQ | CAE | H10 | 116.7° | 119.2° |
CAS | CAG | CAF | 118.7° | 119.8° |
CAS | CAG | H13 | 120.6° | 120.1° |
CAH | CAF | CAG | 119.3° | 124.3° |
CAH | CAF | H12 | 120.3° | 117.9° |
CAF | CAH | H14 | 119.8° | 121.2° |
CAE | CAV | NAN | 110.4° | 109.7° |
CAV | CAE | H10 | 116.7° | 119.1° |
CAE | CAV | H25 | 110.6° | 109.7° |
CAV | NAN | CAP | 120.4° | 120.0° |
NAN | CAV | H25 | 109.8° | 109.7° |
CAV | NAN | H27 | 119.8° | 120.0° |
CAA | CAJ | NAY | 109.5° | 109.5° |
CAJ | CAA | H1 | 109.5° | 109.5° |
CAJ | CAA | H2 | 109.4° | 109.5° |
CAJ | CAA | H3 | 109.5° | 109.5° |
CAA | CAJ | H16 | 109.5° | 109.5° |
CAA | CAJ | H17 | 109.4° | 109.5° |
NAN | CAP | NAY | 119.1° | 120.0° |
NAN | CAP | OAD | 120.1° | 120.0° |
CAP | NAN | H27 | 119.8° | 120.0° |
CAG | CAF | H12 | 120.3° | 117.8° |
CAF | CAG | H13 | 120.6° | 120.1° |
CAJ | NAY | CAP | 119.4° | 120.0° |
CAJ | NAY | CAK | 120.2° | 120.0° |
NAY | CAJ | H16 | 109.4° | 109.5° |
NAY | CAJ | H17 | 109.5° | 109.5° |
NAY | CAP | OAD | 120.7° | 120.0° |
CAP | NAY | CAK | 120.5° | 120.0° |
NAY | CAK | CAB | 109.1° | 109.5° |
NAY | CAK | H18 | 109.6° | 109.4° |
NAY | CAK | H19 | 109.6° | 109.5° |
CAK | CAB | H4 | 109.5° | 109.5° |
CAK | CAB | H5 | 109.5° | 109.5° |
CAK | CAB | H6 | 109.5° | 109.4° |
CAB | CAK | H18 | 109.6° | 109.4° |
CAB | CAK | H19 | 109.5° | 109.5° |
H1 | CAA | H2 | 109.5° | 109.4° |
H1 | CAA | H3 | 109.4° | 109.5° |
H2 | CAA | H3 | 109.5° | 109.5° |
H4 | CAB | H5 | 109.5° | 109.5° |
H4 | CAB | H6 | 109.5° | 109.5° |
H5 | CAB | H6 | 109.5° | 109.4° |
H7 | CAC | H8 | 109.5° | 109.5° |
H7 | CAC | H9 | 109.5° | 109.5° |
H8 | CAC | H9 | 109.4° | 109.4° |
H16 | CAJ | H17 | 109.5° | 109.4° |
H18 | CAK | H19 | 109.4° | 109.5° |
H20 | CAL | H21 | 109.5° | 109.5° |
H22 | CAM | H23 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | NAX | CAW | CAL | 60.5° | 69.3° |
CAC | NAX | CAW | CAM | 119.1° | 125.6° |
CAC | NAX | CAW | CAQ | 177.7° | 163.2° |
CAC | NAX | CAM | CAV | 177.3° | 169.8° |
NAX | CAC | H7 | H8 | 120.0° | 120.0° |
NAX | CAC | H7 | H9 | 120.0° | 120.1° |
NAX | CAC | H8 | H9 | 120.0° | 120.0° |
CAC | NAX | CAM | H22 | 62.1° | 50.2° |
CAC | NAX | CAM | H23 | 56.6° | 70.4° |
CAC | NAX | CAW | H26 | 57.7° | 45.9° |
CAR | CAI | NAO | H15 | 180.0° | 179.9° |
CAI | CAR | CAL | CAU | 179.7° | 179.7° |
CAI | CAR | CAL | CAW | 157.9° | 155.1° |
CAR | CAI | NAO | CAT | 0.1° | 0.2° |
CAI | CAR | CAU | CAT | 0.2° | 0.5° |
CAI | CAR | CAU | CAS | 179.9° | 179.1° |
CAI | CAR | CAL | H20 | 37.6° | 35.1° |
CAI | CAR | CAL | H21 | 81.8° | 84.9° |
CAR | CAI | NAO | H28 | 179.9° | 179.9° |
NAO | CAI | CAR | CAL | 179.9° | 179.5° |
NAO | CAI | CAR | CAU | 0.2° | 0.2° |
CAI | NAO | CAT | H28 | 180.0° | 179.9° |
CAI | NAO | CAT | CAU | 0.0° | 0.5° |
CAI | NAO | CAT | CAH | 179.9° | 179.8° |
CAR | CAL | CAW | H20 | 120.3° | 120.0° |
CAR | CAL | CAW | H21 | 120.3° | 119.9° |
CAR | CAL | CAW | NAX | 165.6° | 174.9° |
CAR | CAL | CAW | CAQ | 44.0° | 47.7° |
CAL | CAR | CAU | CAT | 180.0° | 179.2° |
CAL | CAR | CAU | CAS | 0.1° | 1.2° |
CAL | CAR | CAI | H15 | 0.1° | 0.6° |
CAR | CAL | H20 | H21 | 119.0° | 120.0° |
CAR | CAL | CAW | H26 | 75.7° | 70.1° |
CAW | CAL | CAR | CAU | 22.4° | 25.2° |
CAL | CAW | NAX | CAQ | 121.8° | 127.5° |
CAL | CAW | NAX | H26 | 118.2° | 115.2° |
CAL | CAW | NAX | CAM | 179.6° | 165.1° |
CAL | CAW | CAQ | H26 | 118.6° | 117.7° |
CAL | CAW | CAQ | CAS | 47.0° | 49.9° |
CAL | CAW | CAQ | CAE | 149.2° | 130.1° |
CAW | CAL | H20 | H21 | 119.0° | 120.0° |
CAR | CAU | CAT | NAO | 0.1° | 0.6° |
CAR | CAU | CAT | CAS | 179.9° | 179.6° |
CAR | CAU | CAT | CAH | 179.9° | 179.6° |
CAR | CAU | CAS | CAQ | 0.1° | 0.7° |
CAR | CAU | CAS | CAG | 180.0° | 179.6° |
CAU | CAR | CAI | H15 | 179.8° | 179.7° |
CAU | CAR | CAL | H20 | 142.7° | 145.2° |
CAU | CAR | CAL | H21 | 97.9° | 94.8° |
NAO | CAT | CAU | CAH | 179.9° | 179.8° |
NAO | CAT | CAU | CAS | 180.0° | 179.0° |
NAO | CAT | CAH | CAF | 180.0° | 179.5° |
NAO | CAT | CAH | H14 | 0.0° | 0.6° |
CAT | NAO | CAI | H15 | 179.9° | 179.9° |
NAX | CAW | CAQ | H26 | 119.4° | 116.9° |
CAW | NAX | CAM | CAV | 63.1° | 64.6° |
NAX | CAW | CAQ | CAS | 168.9° | 175.4° |
NAX | CAW | CAQ | CAE | 27.2° | 4.7° |
CAW | NAX | CAC | H7 | 180.0° | 60.0° |
CAW | NAX | CAC | H8 | 60.0° | 180.0° |
CAW | NAX | CAC | H9 | 60.0° | 60.0° |
NAX | CAW | CAL | H20 | 74.1° | 65.0° |
NAX | CAW | CAL | H21 | 45.3° | 55.0° |
CAW | NAX | CAM | H22 | 57.5° | 175.7° |
CAW | NAX | CAM | H23 | 176.2° | 55.1° |
CAM | NAX | CAW | CAQ | 58.6° | 37.5° |
NAX | CAM | CAV | H22 | 120.6° | 119.6° |
NAX | CAM | CAV | H23 | 120.7° | 119.9° |
NAX | CAM | CAV | CAE | 31.6° | 56.2° |
NAX | CAM | CAV | NAN | 88.6° | 63.5° |
CAM | NAX | CAC | H7 | 61.4° | 173.2° |
CAM | NAX | CAC | H8 | 58.6° | 53.2° |
CAM | NAX | CAC | H9 | 178.5° | 66.7° |
NAX | CAM | H22 | H23 | 118.0° | 120.7° |
NAX | CAM | CAV | H25 | 152.2° | 176.0° |
CAM | NAX | CAW | H26 | 61.4° | 79.7° |
CAW | CAQ | CAS | CAU | 26.0° | 23.9° |
CAW | CAQ | CAS | CAE | 163.8° | 179.9° |
CAW | CAQ | CAS | CAG | 154.1° | 155.8° |
CAW | CAQ | CAE | CAV | 4.1° | 0.1° |
CAW | CAQ | CAE | H10 | 175.8° | 180.0° |
CAQ | CAW | CAL | H20 | 164.3° | 167.8° |
CAQ | CAW | CAL | H21 | 76.3° | 72.2° |
CAT | CAU | CAS | CAQ | 180.0° | 178.9° |
CAT | CAU | CAS | CAG | 0.1° | 0.9° |
CAU | CAT | CAH | CAF | 0.1° | 0.2° |
CAU | CAT | CAH | H14 | 180.0° | 179.8° |
CAU | CAT | NAO | H28 | 180.0° | 179.6° |
CAS | CAU | CAT | CAH | 0.0° | 0.8° |
CAU | CAS | CAQ | CAG | 179.9° | 179.7° |
CAU | CAS | CAQ | CAE | 170.2° | 156.2° |
CAU | CAS | CAG | CAF | 0.2° | 0.4° |
CAU | CAS | CAG | H13 | 179.8° | 179.5° |
CAT | CAH | CAF | H14 | 180.0° | 180.0° |
CAT | CAH | CAF | CAG | 0.2° | 0.2° |
CAT | CAH | CAF | H12 | 179.8° | 179.8° |
CAH | CAT | NAO | H28 | 0.1° | 0.1° |
CAM | CAV | CAE | CAQ | 2.2° | 25.9° |
CAM | CAV | CAE | NAN | 118.7° | 119.7° |
CAM | CAV | CAE | H25 | 119.6° | 119.7° |
CAM | CAV | NAN | H25 | 118.6° | 120.6° |
CAM | CAV | NAN | CAP | 132.8° | 155.0° |
CAM | CAV | CAE | H10 | 177.8° | 154.3° |
CAV | CAM | H22 | H23 | 118.0° | 120.4° |
CAM | CAV | NAN | H27 | 47.2° | 25.0° |
CAS | CAQ | CAE | CAV | 159.3° | 179.9° |
CAQ | CAS | CAG | CAF | 179.9° | 179.3° |
CAS | CAQ | CAE | H10 | 20.7° | 0.1° |
CAQ | CAS | CAG | H13 | 0.1° | 0.8° |
CAS | CAQ | CAW | H26 | 71.6° | 67.8° |
CAE | CAQ | CAS | CAG | 9.7° | 24.1° |
CAQ | CAE | CAV | H10 | 180.0° | 179.8° |
CAQ | CAE | CAV | NAN | 120.9° | 93.8° |
CAQ | CAE | CAV | H25 | 117.4° | 145.6° |
CAE | CAQ | CAW | H26 | 92.2° | 112.2° |
CAS | CAG | CAF | CAH | 0.3° | 0.1° |
CAS | CAG | CAF | H13 | 180.0° | 179.9° |
CAS | CAG | CAF | H12 | 179.8° | 179.9° |
CAH | CAF | CAG | H12 | 180.0° | 180.0° |
CAH | CAF | CAG | H13 | 179.7° | 180.0° |
CAE | CAV | NAN | H25 | 122.2° | 120.6° |
CAE | CAV | NAN | CAP | 107.9° | 86.1° |
CAE | CAV | CAM | H22 | 89.1° | 175.8° |
CAE | CAV | CAM | H23 | 152.2° | 63.7° |
CAE | CAV | NAN | H27 | 72.1° | 93.9° |
CAV | NAN | CAP | H27 | 180.0° | 180.0° |
CAV | NAN | CAP | NAY | 179.6° | 180.0° |
CAV | NAN | CAP | OAD | 0.5° | 0.0° |
NAN | CAV | CAE | H10 | 59.1° | 86.1° |
NAN | CAV | CAM | H22 | 150.8° | 56.2° |
NAN | CAV | CAM | H23 | 32.1° | 176.6° |
CAA | CAJ | NAY | H16 | 120.0° | 120.0° |
CAA | CAJ | NAY | H17 | 120.0° | 120.0° |
CAA | CAJ | NAY | CAP | 79.6° | 90.0° |
CAA | CAJ | NAY | CAK | 100.2° | 90.0° |
CAJ | CAA | H1 | H2 | 120.0° | 120.0° |
CAJ | CAA | H1 | H3 | 120.0° | 120.1° |
CAJ | CAA | H2 | H3 | 120.0° | 120.1° |
CAA | CAJ | H16 | H17 | 120.0° | 120.0° |
NAN | CAP | NAY | CAJ | 0.3° | 0.0° |
NAN | CAP | NAY | OAD | 179.9° | 180.0° |
NAN | CAP | NAY | CAK | 179.9° | 180.0° |
CAP | NAN | CAV | H25 | 14.3° | 34.4° |
CAG | CAF | CAH | H14 | 179.8° | 179.8° |
CAJ | NAY | CAP | CAK | 179.8° | 180.0° |
CAJ | NAY | CAP | OAD | 179.8° | 180.0° |
CAJ | NAY | CAK | CAB | 107.5° | 90.0° |
NAY | CAJ | CAA | H1 | 180.0° | 60.0° |
NAY | CAJ | CAA | H2 | 60.0° | 60.0° |
NAY | CAJ | CAA | H3 | 60.0° | 180.0° |
NAY | CAJ | H16 | H17 | 120.0° | 120.0° |
CAJ | NAY | CAK | H18 | 132.5° | 30.0° |
CAJ | NAY | CAK | H19 | 12.5° | 150.0° |
CAP | NAY | CAK | CAB | 72.7° | 90.0° |
CAP | NAY | CAJ | H16 | 160.4° | 30.0° |
CAP | NAY | CAJ | H17 | 40.4° | 150.0° |
CAP | NAY | CAK | H18 | 47.3° | 150.0° |
CAP | NAY | CAK | H19 | 167.4° | 30.0° |
NAY | CAP | NAN | H27 | 0.4° | 0.0° |
OAD | CAP | NAY | CAK | 0.1° | 0.0° |
OAD | CAP | NAN | H27 | 179.5° | 180.0° |
NAY | CAK | CAB | H18 | 120.0° | 119.9° |
NAY | CAK | CAB | H19 | 120.0° | 120.0° |
NAY | CAK | CAB | H4 | 180.0° | 180.0° |
NAY | CAK | CAB | H5 | 60.0° | 59.9° |
NAY | CAK | CAB | H6 | 60.0° | 60.0° |
CAK | NAY | CAJ | H16 | 19.8° | 150.0° |
CAK | NAY | CAJ | H17 | 139.8° | 30.0° |
NAY | CAK | H18 | H19 | 120.2° | 120.0° |
CAK | CAB | H4 | H5 | 120.0° | 120.1° |
CAK | CAB | H4 | H6 | 120.0° | 119.9° |
CAK | CAB | H5 | H6 | 120.0° | 119.9° |
CAB | CAK | H18 | H19 | 120.1° | 120.0° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H1 | CAA | CAJ | H16 | 60.0° | 60.1° |
H1 | CAA | CAJ | H17 | 60.0° | 180.0° |
H2 | CAA | CAJ | H16 | 60.0° | 180.0° |
H2 | CAA | CAJ | H17 | 180.0° | 60.1° |
H3 | CAA | CAJ | H16 | 180.0° | 60.0° |
H3 | CAA | CAJ | H17 | 60.0° | 60.0° |
H4 | CAB | H5 | H6 | 120.0° | 120.0° |
H4 | CAB | CAK | H18 | 60.0° | 60.1° |
H4 | CAB | CAK | H19 | 60.1° | 60.0° |
H5 | CAB | CAK | H18 | 180.0° | 60.0° |
H5 | CAB | CAK | H19 | 60.0° | 179.9° |
H6 | CAB | CAK | H18 | 60.0° | 179.9° |
H6 | CAB | CAK | H19 | 179.9° | 60.0° |
H7 | CAC | H8 | H9 | 120.0° | 120.0° |
H10 | CAE | CAV | H25 | 62.6° | 34.5° |
H12 | CAF | CAG | H13 | 0.2° | 0.0° |
H12 | CAF | CAH | H14 | 0.1° | 0.2° |
H15 | CAI | NAO | H28 | 0.1° | 0.0° |
H20 | CAL | CAW | H26 | 44.6° | 49.9° |
H21 | CAL | CAW | H26 | 164.0° | 169.9° |
H22 | CAM | CAV | H25 | 31.6° | 64.4° |
H23 | CAM | CAV | H25 | 87.1° | 56.0° |
H25 | CAV | NAN | H27 | 165.7° | 145.5° |