H8Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAL | CAK | trip | 1.17Å | 1.18Å | |
CAK | CAJ | sing | 1.43Å | 1.44Å | |
CAP | NAQ | sing | 1.47Å | 1.48Å | |
CAP | CAO | sing | 1.53Å | 1.50Å | |
NAI | CAJ | doub | 1.31Å | 1.32Å | Aromatic |
NAI | NAH | sing | 1.40Å | 1.19Å | Aromatic |
OAT | CAS | doub | 1.22Å | 1.23Å | |
CAJ | C5 | sing | 1.46Å | 1.33Å | Aromatic |
NAQ | CAS | sing | 1.35Å | 1.34Å | |
NAQ | CAR | sing | 1.47Å | 1.47Å | |
CAS | CAU | sing | 1.47Å | 1.53Å | |
CAR | CAM | sing | 1.53Å | 1.56Å | |
CAN | CAO | sing | 1.53Å | 1.53Å | |
CAN | CAM | sing | 1.53Å | 1.54Å | |
CAV | CAU | doub | 1.33Å | 1.53Å | |
CAM | NAH | sing | 1.47Å | 1.49Å | |
NAH | C4 | sing | 1.36Å | 1.34Å | Aromatic |
NAG | C6 | sing | 1.38Å | 1.33Å | |
C5 | C4 | doub | 1.41Å | 1.33Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.34Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
N3 | C2 | doub | 1.31Å | 1.40Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
C2 | H1 | sing | 1.08Å | 1.08Å | |
CAL | H2 | sing | 1.05Å | 1.06Å | |
CAM | H3 | sing | 1.09Å | 1.10Å | |
CAN | H4 | sing | 1.09Å | 1.10Å | |
CAN | H5 | sing | 1.09Å | 1.10Å | |
CAO | H6 | sing | 1.09Å | 1.10Å | |
CAO | H7 | sing | 1.09Å | 1.10Å | |
CAP | H8 | sing | 1.09Å | 1.10Å | |
CAP | H9 | sing | 1.09Å | 1.10Å | |
CAR | H10 | sing | 1.09Å | 1.10Å | |
CAR | H11 | sing | 1.09Å | 1.10Å | |
CAU | H12 | sing | 1.08Å | 1.08Å | |
CAV | H14 | sing | 1.08Å | 1.08Å | |
CAV | H15 | sing | 1.08Å | 1.08Å | |
NAG | H17 | sing | 0.97Å | 1.00Å | |
NAG | H18 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAL | CAK | CAJ | 179.8° | 179.9° |
CAK | CAL | H2 | 180.0° | 179.9° |
CAK | CAJ | NAI | 124.0° | 126.4° |
CAK | CAJ | C5 | 126.9° | 126.3° |
NAQ | CAP | CAO | 111.2° | 108.8° |
CAP | NAQ | CAS | 119.5° | 120.6° |
CAP | NAQ | CAR | 115.1° | 118.8° |
NAQ | CAP | H8 | 109.1° | 109.6° |
NAQ | CAP | H9 | 109.0° | 109.6° |
CAP | CAO | CAN | 112.2° | 109.3° |
CAP | CAO | H6 | 108.8° | 109.5° |
CAP | CAO | H7 | 108.8° | 109.5° |
CAO | CAP | H8 | 109.0° | 109.6° |
CAO | CAP | H9 | 109.1° | 109.6° |
CAJ | NAI | NAH | 109.3° | 109.9° |
NAI | CAJ | C5 | 109.0° | 107.3° |
NAI | NAH | CAM | 114.3° | 125.3° |
NAI | NAH | C4 | 110.2° | 109.4° |
OAT | CAS | NAQ | 122.4° | 120.0° |
OAT | CAS | CAU | 120.3° | 120.0° |
CAJ | C5 | C4 | 104.0° | 106.4° |
CAJ | C5 | C6 | 134.3° | 135.0° |
CAS | NAQ | CAR | 123.5° | 120.6° |
NAQ | CAS | CAU | 115.6° | 120.0° |
NAQ | CAR | CAM | 113.1° | 108.8° |
NAQ | CAR | H10 | 108.5° | 109.6° |
NAQ | CAR | H11 | 108.6° | 109.6° |
CAS | CAU | CAV | 108.8° | 120.0° |
CAS | CAU | H12 | 125.6° | 120.0° |
CAR | CAM | CAN | 113.2° | 109.3° |
CAR | CAM | NAH | 108.4° | 109.5° |
CAR | CAM | H3 | 105.4° | 109.5° |
CAM | CAR | H10 | 108.6° | 109.6° |
CAM | CAR | H11 | 108.6° | 109.6° |
CAO | CAN | CAM | 106.6° | 109.5° |
CAO | CAN | H4 | 110.2° | 109.5° |
CAO | CAN | H5 | 110.2° | 109.4° |
CAN | CAO | H6 | 108.8° | 109.5° |
CAN | CAO | H7 | 108.8° | 109.5° |
CAN | CAM | NAH | 117.0° | 109.5° |
CAN | CAM | H3 | 105.7° | 109.5° |
CAM | CAN | H4 | 110.2° | 109.5° |
CAM | CAN | H5 | 110.2° | 109.4° |
CAV | CAU | H12 | 125.6° | 120.0° |
CAU | CAV | H14 | 120.0° | 120.0° |
CAU | CAV | H15 | 120.0° | 120.0° |
CAM | NAH | C4 | 135.1° | 125.3° |
NAH | CAM | H3 | 106.2° | 109.5° |
NAH | C4 | C5 | 107.3° | 106.9° |
NAH | C4 | N3 | 132.5° | 134.5° |
NAG | C6 | C5 | 116.8° | 120.8° |
NAG | C6 | N1 | 121.6° | 120.8° |
C6 | NAG | H17 | 109.5° | 120.0° |
C6 | NAG | H18 | 109.5° | 120.0° |
C4 | C5 | C6 | 121.8° | 118.6° |
C5 | C4 | N3 | 119.9° | 118.6° |
C5 | C6 | N1 | 121.5° | 118.3° |
C4 | N3 | C2 | 119.6° | 120.7° |
C6 | N1 | C2 | 118.2° | 121.1° |
N3 | C2 | N1 | 119.0° | 122.7° |
N3 | C2 | H1 | 120.5° | 118.7° |
N1 | C2 | H1 | 120.5° | 118.7° |
H4 | CAN | H5 | 109.5° | 109.5° |
H6 | CAO | H7 | 109.5° | 109.6° |
H8 | CAP | H9 | 109.5° | 109.7° |
H10 | CAR | H11 | 109.5° | 109.6° |
H14 | CAV | H15 | 120.0° | 120.0° |
H17 | NAG | H18 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAL | CAK | CAJ | NAI | 8.7° | 45.0° |
CAL | CAK | CAJ | C5 | 171.4° | 135.1° |
CAK | CAJ | NAI | C5 | 180.0° | 180.0° |
CAK | CAJ | NAI | NAH | 178.1° | 180.0° |
CAK | CAJ | C5 | C4 | 178.6° | 180.0° |
CAK | CAJ | C5 | C6 | 0.0° | 0.0° |
CAJ | CAK | CAL | H2 | 100.9° | 169.4° |
NAQ | CAP | CAO | H8 | 120.3° | 119.8° |
NAQ | CAP | CAO | H9 | 120.2° | 119.8° |
CAP | NAQ | CAS | OAT | 14.8° | 5.2° |
CAP | NAQ | CAS | CAR | 163.0° | 179.9° |
CAP | NAQ | CAS | CAU | 179.8° | 174.8° |
CAP | NAQ | CAR | CAM | 45.7° | 53.5° |
NAQ | CAP | CAO | CAN | 59.7° | 54.6° |
NAQ | CAP | CAO | H6 | 60.7° | 174.6° |
NAQ | CAP | CAO | H7 | 179.8° | 65.3° |
NAQ | CAP | H8 | H9 | 119.2° | 120.4° |
CAP | NAQ | CAR | H10 | 74.9° | 173.3° |
CAP | NAQ | CAR | H11 | 166.2° | 66.3° |
CAO | CAP | NAQ | CAS | 144.1° | 126.4° |
CAO | CAP | NAQ | CAR | 51.6° | 53.5° |
CAP | CAO | CAN | H6 | 120.4° | 120.0° |
CAP | CAO | CAN | H7 | 120.4° | 119.9° |
CAP | CAO | CAN | CAM | 60.0° | 61.3° |
CAP | CAO | CAN | H4 | 179.5° | 58.7° |
CAP | CAO | CAN | H5 | 59.5° | 178.7° |
CAP | CAO | H6 | H7 | 118.8° | 120.1° |
CAO | CAP | H8 | H9 | 119.2° | 120.3° |
CAJ | NAI | NAH | CAM | 177.4° | 180.0° |
CAJ | NAI | NAH | C4 | 4.4° | 0.1° |
NAI | CAJ | C5 | C4 | 1.3° | 0.0° |
NAI | CAJ | C5 | C6 | 180.0° | 180.0° |
NAH | NAI | CAJ | C5 | 2.0° | 0.1° |
NAI | NAH | CAM | CAR | 92.4° | 59.8° |
NAI | NAH | CAM | CAN | 37.1° | 60.0° |
NAI | NAH | CAM | C4 | 170.6° | 179.9° |
NAI | NAH | C4 | C5 | 5.3° | 0.1° |
NAI | NAH | C4 | N3 | 178.7° | 180.0° |
NAI | NAH | CAM | H3 | 154.7° | 179.9° |
OAT | CAS | NAQ | CAU | 165.4° | 180.0° |
OAT | CAS | NAQ | CAR | 177.8° | 174.7° |
OAT | CAS | CAU | CAV | 14.4° | 4.9° |
OAT | CAS | CAU | H12 | 165.6° | 175.0° |
CAJ | C5 | C4 | NAH | 3.8° | 0.0° |
CAJ | C5 | C6 | NAG | 0.1° | 0.0° |
CAJ | C5 | C4 | C6 | 178.9° | 180.0° |
CAJ | C5 | C4 | N3 | 178.1° | 180.0° |
CAJ | C5 | C6 | N1 | 180.0° | 180.0° |
CAS | NAQ | CAR | CAM | 150.7° | 126.4° |
NAQ | CAS | CAU | CAV | 179.9° | 175.0° |
CAS | NAQ | CAP | H8 | 23.8° | 113.8° |
CAS | NAQ | CAP | H9 | 95.7° | 6.6° |
CAS | NAQ | CAR | H10 | 88.8° | 6.6° |
CAS | NAQ | CAR | H11 | 30.2° | 113.7° |
NAQ | CAS | CAU | H12 | 0.1° | 5.0° |
CAR | NAQ | CAS | CAU | 16.9° | 5.3° |
NAQ | CAR | CAM | H10 | 120.5° | 119.8° |
NAQ | CAR | CAM | H11 | 120.6° | 119.8° |
NAQ | CAR | CAM | CAN | 47.7° | 54.6° |
NAQ | CAR | CAM | NAH | 179.2° | 174.5° |
NAQ | CAR | CAM | H3 | 67.4° | 65.4° |
CAR | NAQ | CAP | H8 | 171.8° | 66.3° |
CAR | NAQ | CAP | H9 | 68.7° | 173.3° |
NAQ | CAR | H10 | H11 | 118.4° | 120.3° |
CAS | CAU | CAV | H12 | 180.0° | 179.9° |
CAS | CAU | CAV | H14 | 180.0° | 0.1° |
CAS | CAU | CAV | H15 | 0.0° | 180.0° |
CAR | CAM | CAN | CAO | 53.3° | 61.4° |
CAR | CAM | CAN | NAH | 127.2° | 119.9° |
CAR | CAM | CAN | H3 | 114.9° | 120.0° |
CAR | CAM | NAH | H3 | 112.9° | 120.1° |
CAR | CAM | NAH | C4 | 78.3° | 120.0° |
CAR | CAM | CAN | H4 | 172.9° | 58.6° |
CAR | CAM | CAN | H5 | 66.2° | 178.6° |
CAM | CAR | H10 | H11 | 118.3° | 120.3° |
CAO | CAN | CAM | H4 | 119.5° | 120.0° |
CAO | CAN | CAM | H5 | 119.5° | 120.0° |
CAO | CAN | CAM | NAH | 179.5° | 178.7° |
CAO | CAN | CAM | H3 | 61.6° | 58.6° |
CAO | CAN | H4 | H5 | 121.3° | 120.0° |
CAN | CAO | H6 | H7 | 118.7° | 120.1° |
CAN | CAO | CAP | H8 | 180.0° | 65.2° |
CAN | CAO | CAP | H9 | 60.5° | 174.4° |
CAN | CAM | NAH | H3 | 117.6° | 120.1° |
CAN | CAM | NAH | C4 | 152.2° | 120.1° |
CAM | CAN | H4 | H5 | 121.4° | 120.0° |
CAM | CAN | CAO | H6 | 60.4° | 178.7° |
CAM | CAN | CAO | H7 | 179.5° | 58.5° |
CAN | CAM | CAR | H10 | 72.8° | 174.4° |
CAN | CAM | CAR | H11 | 168.3° | 65.3° |
CAU | CAV | H14 | H15 | 180.0° | 179.9° |
CAM | NAH | C4 | C5 | 176.2° | 179.9° |
CAM | NAH | C4 | N3 | 10.4° | 0.1° |
NAH | CAM | CAN | H4 | 60.0° | 61.3° |
NAH | CAM | CAN | H5 | 61.0° | 58.7° |
NAH | CAM | CAR | H10 | 58.7° | 65.6° |
NAH | CAM | CAR | H11 | 60.2° | 54.7° |
NAH | C4 | C5 | N3 | 174.4° | 179.9° |
NAH | C4 | C5 | C6 | 177.3° | 180.0° |
NAH | C4 | N3 | C2 | 175.6° | 180.0° |
C4 | NAH | CAM | H3 | 34.6° | 0.1° |
NAG | C6 | C5 | C4 | 178.6° | 180.0° |
NAG | C6 | C5 | N1 | 179.9° | 180.0° |
NAG | C6 | N1 | C2 | 180.0° | 180.0° |
C6 | NAG | H17 | H18 | 120.0° | 180.0° |
C4 | C5 | C6 | N1 | 1.5° | 0.0° |
C5 | C4 | N3 | C2 | 2.9° | 0.1° |
C6 | C5 | C4 | N3 | 3.0° | 0.0° |
C5 | C6 | N1 | C2 | 0.1° | 0.0° |
C5 | C6 | NAG | H17 | 179.9° | 0.0° |
C5 | C6 | NAG | H18 | 59.9° | 180.0° |
C4 | N3 | C2 | N1 | 1.5° | 0.1° |
C4 | N3 | C2 | H1 | 178.4° | 180.0° |
C6 | N1 | C2 | N3 | 0.1° | 0.0° |
C6 | N1 | C2 | H1 | 179.9° | 180.0° |
N1 | C6 | NAG | H17 | 0.0° | 180.0° |
N1 | C6 | NAG | H18 | 120.0° | 0.0° |
N3 | C2 | N1 | H1 | 180.0° | 180.0° |
H3 | CAM | CAN | H4 | 57.9° | 178.6° |
H3 | CAM | CAN | H5 | 178.9° | 61.4° |
H3 | CAM | CAR | H10 | 172.1° | 54.4° |
H3 | CAM | CAR | H11 | 53.2° | 174.8° |
H4 | CAN | CAO | H6 | 59.1° | 61.3° |
H4 | CAN | CAO | H7 | 60.0° | 178.6° |
H5 | CAN | CAO | H6 | 179.9° | 58.7° |
H5 | CAN | CAO | H7 | 60.9° | 61.4° |
H6 | CAO | CAP | H8 | 59.6° | 54.8° |
H6 | CAO | CAP | H9 | 179.1° | 65.6° |
H7 | CAO | CAP | H8 | 59.6° | 174.9° |
H7 | CAO | CAP | H9 | 59.9° | 54.5° |
H12 | CAU | CAV | H14 | 0.0° | 180.0° |
H12 | CAU | CAV | H15 | 180.0° | 0.0° |