4J6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAF | SBA | doub | 1.42Å | 1.50Å | |
NAP | SBA | sing | 1.66Å | 1.69Å | |
NAP | CAL | sing | 1.47Å | 1.48Å | |
SBA | NAC | sing | 1.66Å | 1.63Å | |
SBA | OAG | doub | 1.42Å | 1.50Å | |
CAV | NAO | sing | 1.49Å | 1.50Å | |
CAV | CAL | sing | 1.53Å | 1.56Å | |
CAV | CAM | sing | 1.55Å | 1.53Å | |
NAO | CAK | sing | 1.48Å | 1.48Å | |
CAK | CAW | sing | 1.54Å | 1.52Å | |
CAM | CAW | sing | 1.55Å | 1.53Å | |
OAH | CAR | doub | 1.22Å | 1.24Å | |
CAW | SAQ | sing | 1.81Å | 1.82Å | |
CAR | OAE | sing | 1.35Å | 1.25Å | |
CAR | CAS | sing | 1.41Å | 1.52Å | |
SAQ | CAZ | sing | 1.76Å | 1.83Å | |
CAS | CAZ | doub | 1.35Å | 1.35Å | |
CAS | NAN | sing | 1.40Å | 1.44Å | |
CAZ | CAU | sing | 1.51Å | 1.53Å | |
NAN | CAY | sing | 1.47Å | 1.47Å | |
CAU | CAY | sing | 1.54Å | 1.57Å | |
CAU | CAB | sing | 1.53Å | 1.53Å | |
CAY | CAX | sing | 1.53Å | 1.53Å | |
CAJ | CAX | sing | 1.51Å | 1.52Å | |
CAJ | OAD | doub | 1.21Å | 1.31Å | |
CAX | CAT | sing | 1.53Å | 1.53Å | |
OAI | CAT | sing | 1.43Å | 1.41Å | |
CAT | CAA | sing | 1.53Å | 1.54Å | |
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 | |
NAC | H7 | sing | 0.97Å | 1.00Å | |
NAC | H8 | sing | 0.97Å | 1.00Å | |
OAE | H10 | sing | 0.97Å | 0.95Å | |
OAI | H11 | sing | 0.97Å | 0.95Å | |
CAJ | H12 | sing | 1.08Å | 1.08Å | |
CAK | H14 | sing | 1.09Å | 1.10Å | |
CAK | H15 | sing | 1.09Å | 1.10Å | |
CAL | H16 | sing | 1.09Å | 1.10Å | |
CAL | H17 | sing | 1.09Å | 1.10Å | |
CAM | H18 | sing | 1.09Å | 1.10Å | |
CAM | H19 | sing | 1.09Å | 1.10Å | |
NAN | H20 | sing | 0.97Å | 1.00Å | |
NAO | H21 | sing | 1.01Å | 1.00Å | |
NAP | H23 | sing | 0.97Å | 1.00Å | |
CAT | H24 | sing | 1.09Å | 1.10Å | |
CAU | H25 | sing | 1.09Å | 1.10Å | |
CAV | H26 | sing | 1.09Å | 1.10Å | |
CAW | H27 | sing | 1.09Å | 1.10Å | |
CAX | H28 | sing | 1.09Å | 1.10Å | |
CAY | H29 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAF | SBA | NAP | 108.2° | 106.4° |
OAF | SBA | NAC | 109.1° | 106.4° |
OAF | SBA | OAG | 111.9° | 123.1° |
SBA | NAP | CAL | 112.6° | 120.0° |
NAP | SBA | NAC | 109.7° | 107.3° |
NAP | SBA | OAG | 109.4° | 106.4° |
SBA | NAP | H23 | 108.7° | 120.1° |
NAP | CAL | CAV | 111.0° | 109.5° |
NAP | CAL | H16 | 109.1° | 109.4° |
NAP | CAL | H17 | 109.1° | 109.5° |
CAL | NAP | H23 | 108.7° | 120.0° |
NAC | SBA | OAG | 108.5° | 106.4° |
SBA | NAC | H7 | 109.5° | 120.0° |
SBA | NAC | H8 | 109.5° | 120.0° |
NAO | CAV | CAL | 111.4° | 110.7° |
NAO | CAV | CAM | 106.5° | 103.2° |
CAV | NAO | CAK | 106.6° | 105.8° |
CAV | NAO | H21 | 110.2° | 111.0° |
NAO | CAV | H26 | 110.0° | 110.6° |
CAL | CAV | CAM | 110.1° | 110.7° |
CAV | CAL | H16 | 109.1° | 109.5° |
CAV | CAL | H17 | 109.1° | 109.5° |
CAL | CAV | H26 | 109.2° | 110.6° |
CAV | CAM | CAW | 104.1° | 102.9° |
CAV | CAM | H18 | 110.8° | 110.7° |
CAV | CAM | H19 | 110.8° | 110.9° |
CAM | CAV | H26 | 109.5° | 110.8° |
NAO | CAK | CAW | 104.0° | 107.1° |
NAO | CAK | H14 | 110.8° | 110.0° |
NAO | CAK | H15 | 110.8° | 110.1° |
CAK | NAO | H21 | 110.2° | 111.0° |
CAK | CAW | CAM | 102.6° | 105.2° |
CAK | CAW | SAQ | 111.3° | 110.3° |
CAW | CAK | H14 | 110.8° | 109.9° |
CAW | CAK | H15 | 110.9° | 109.9° |
CAK | CAW | H27 | 112.5° | 110.3° |
CAM | CAW | SAQ | 109.4° | 110.3° |
CAW | CAM | H18 | 110.8° | 110.7° |
CAW | CAM | H19 | 110.8° | 110.8° |
CAM | CAW | H27 | 112.3° | 110.3° |
OAH | CAR | OAE | 119.9° | 120.0° |
OAH | CAR | CAS | 121.6° | 120.0° |
CAW | SAQ | CAZ | 102.7° | 100.0° |
SAQ | CAW | H27 | 108.6° | 110.4° |
OAE | CAR | CAS | 118.4° | 120.0° |
CAR | OAE | H10 | 109.5° | 114.0° |
CAR | CAS | CAZ | 129.2° | 123.6° |
CAR | CAS | NAN | 119.5° | 123.7° |
SAQ | CAZ | CAS | 128.0° | 125.6° |
SAQ | CAZ | CAU | 121.9° | 125.6° |
CAZ | CAS | NAN | 111.3° | 112.7° |
CAS | CAZ | CAU | 108.1° | 108.8° |
CAS | NAN | CAY | 108.7° | 109.2° |
CAS | NAN | H20 | 109.7° | 125.3° |
CAZ | CAU | CAY | 102.8° | 104.6° |
CAZ | CAU | CAB | 110.6° | 110.7° |
CAZ | CAU | H25 | 109.8° | 110.1° |
NAN | CAY | CAU | 102.0° | 104.6° |
NAN | CAY | CAX | 107.8° | 110.4° |
CAY | NAN | H20 | 109.6° | 125.4° |
NAN | CAY | H29 | 110.6° | 110.3° |
CAY | CAU | CAB | 114.2° | 110.4° |
CAU | CAY | CAX | 117.0° | 110.4° |
CAY | CAU | H25 | 109.3° | 110.4° |
CAU | CAY | H29 | 109.3° | 110.4° |
CAU | CAB | H4 | 109.5° | 109.5° |
CAU | CAB | H5 | 109.4° | 109.5° |
CAU | CAB | H6 | 109.4° | 109.4° |
CAB | CAU | H25 | 109.9° | 110.4° |
CAY | CAX | CAJ | 108.4° | 109.5° |
CAY | CAX | CAT | 110.2° | 109.5° |
CAY | CAX | H28 | 109.1° | 109.4° |
CAX | CAY | H29 | 109.7° | 110.5° |
CAX | CAJ | OAD | 120.2° | 120.0° |
CAJ | CAX | CAT | 110.8° | 109.5° |
CAX | CAJ | H12 | 119.9° | 120.0° |
CAJ | CAX | H28 | 109.3° | 109.5° |
OAD | CAJ | H12 | 119.9° | 120.0° |
CAX | CAT | OAI | 106.6° | 109.5° |
CAX | CAT | CAA | 113.8° | 109.5° |
CAX | CAT | H24 | 108.3° | 109.5° |
CAT | CAX | H28 | 109.1° | 109.5° |
OAI | CAT | CAA | 109.9° | 109.5° |
CAT | OAI | H11 | 109.5° | 114.0° |
OAI | CAT | H24 | 110.0° | 109.5° |
CAT | CAA | H1 | 109.5° | 109.5° |
CAT | CAA | H2 | 109.5° | 109.5° |
CAT | CAA | H3 | 109.5° | 109.5° |
CAA | CAT | H24 | 108.2° | 109.4° |
H1 | CAA | H2 | 109.5° | 109.5° |
H1 | CAA | H3 | 109.5° | 109.5° |
H2 | CAA | H3 | 109.5° | 109.4° |
H4 | CAB | H5 | 109.5° | 109.5° |
H4 | CAB | H6 | 109.5° | 109.4° |
H5 | CAB | H6 | 109.5° | 109.5° |
H7 | NAC | H8 | 109.5° | 120.0° |
H14 | CAK | H15 | 109.5° | 109.9° |
H16 | CAL | H17 | 109.5° | 109.5° |
H18 | CAM | H19 | 109.5° | 110.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAF | SBA | NAP | NAC | 118.9° | 113.6° |
OAF | SBA | NAP | OAG | 122.1° | 132.9° |
OAF | SBA | NAP | CAL | 157.2° | 48.5° |
OAF | SBA | NAC | OAG | 122.1° | 132.9° |
OAF | SBA | NAC | H7 | 180.0° | 6.4° |
OAF | SBA | NAC | H8 | 60.0° | 173.5° |
OAF | SBA | NAP | H23 | 82.3° | 131.5° |
SBA | NAP | CAL | H23 | 120.5° | 180.0° |
NAP | SBA | NAC | OAG | 119.5° | 113.5° |
SBA | NAP | CAL | CAV | 158.6° | 165.0° |
NAP | SBA | NAC | H7 | 61.6° | 120.0° |
NAP | SBA | NAC | H8 | 178.4° | 59.9° |
SBA | NAP | CAL | H16 | 38.4° | 75.0° |
SBA | NAP | CAL | H17 | 81.2° | 45.0° |
CAL | NAP | SBA | NAC | 83.8° | 65.0° |
CAL | NAP | SBA | OAG | 35.2° | 178.5° |
NAP | CAL | CAV | NAO | 72.9° | 56.4° |
NAP | CAL | CAV | H16 | 120.3° | 119.9° |
NAP | CAL | CAV | H17 | 120.2° | 120.0° |
NAP | CAL | CAV | CAM | 169.2° | 170.3° |
NAP | CAL | H16 | H17 | 119.3° | 120.0° |
NAP | CAL | CAV | H26 | 48.8° | 66.6° |
SBA | NAC | H7 | H8 | 120.0° | 179.9° |
NAC | SBA | NAP | H23 | 36.6° | 115.0° |
OAG | SBA | NAC | H7 | 57.9° | 126.4° |
OAG | SBA | NAC | H8 | 62.1° | 53.6° |
OAG | SBA | NAP | H23 | 155.6° | 1.4° |
NAO | CAV | CAL | CAM | 118.0° | 113.8° |
NAO | CAV | CAL | H26 | 121.7° | 123.0° |
NAO | CAV | CAM | H26 | 118.9° | 118.4° |
CAV | NAO | CAK | H21 | 119.5° | 120.5° |
CAV | NAO | CAK | CAW | 32.7° | 25.3° |
NAO | CAV | CAM | CAW | 13.7° | 37.4° |
CAV | NAO | CAK | H14 | 86.4° | 94.0° |
CAV | NAO | CAK | H15 | 151.8° | 144.7° |
NAO | CAV | CAL | H16 | 47.4° | 63.5° |
NAO | CAV | CAL | H17 | 166.9° | 176.4° |
NAO | CAV | CAM | H18 | 132.9° | 80.9° |
NAO | CAV | CAM | H19 | 105.4° | 155.8° |
CAL | CAV | CAM | H26 | 120.1° | 123.1° |
CAL | CAV | NAO | CAK | 131.6° | 157.7° |
CAL | CAV | CAM | CAW | 107.2° | 155.9° |
CAV | CAL | H16 | H17 | 119.3° | 120.1° |
CAL | CAV | CAM | H18 | 11.9° | 37.6° |
CAL | CAV | CAM | H19 | 133.7° | 85.7° |
CAL | CAV | NAO | H21 | 108.9° | 81.8° |
CAV | CAL | NAP | H23 | 81.0° | 15.0° |
CAM | CAV | NAO | CAK | 11.5° | 39.2° |
CAV | CAM | CAW | CAK | 33.1° | 21.9° |
CAV | CAM | CAW | H18 | 119.2° | 118.3° |
CAV | CAM | CAW | H19 | 119.1° | 118.6° |
CAV | CAM | CAW | SAQ | 85.2° | 140.9° |
CAM | CAV | CAL | H16 | 70.6° | 50.4° |
CAM | CAV | CAL | H17 | 48.9° | 69.7° |
CAV | CAM | H18 | H19 | 122.5° | 123.4° |
CAM | CAV | NAO | H21 | 131.1° | 159.7° |
CAV | CAM | CAW | H27 | 154.2° | 97.0° |
NAO | CAK | CAW | H14 | 119.1° | 119.4° |
NAO | CAK | CAW | H15 | 119.1° | 119.5° |
NAO | CAK | CAW | CAM | 40.8° | 1.3° |
NAO | CAK | CAW | SAQ | 76.1° | 117.7° |
NAO | CAK | H14 | H15 | 122.5° | 121.4° |
CAK | NAO | CAV | H26 | 107.1° | 79.4° |
NAO | CAK | CAW | H27 | 161.7° | 120.1° |
CAK | CAW | CAM | SAQ | 118.3° | 118.9° |
CAK | CAW | CAM | H27 | 121.1° | 118.9° |
CAK | CAW | SAQ | H27 | 124.4° | 122.1° |
CAK | CAW | SAQ | CAZ | 51.1° | 69.8° |
CAW | CAK | H14 | H15 | 122.6° | 121.1° |
CAK | CAW | CAM | H18 | 152.3° | 96.4° |
CAK | CAW | CAM | H19 | 86.0° | 140.5° |
CAW | CAK | NAO | H21 | 152.2° | 145.8° |
CAM | CAW | SAQ | H27 | 122.9° | 122.1° |
CAM | CAW | SAQ | CAZ | 163.8° | 174.5° |
CAM | CAW | CAK | H14 | 78.3° | 118.1° |
CAM | CAW | CAK | H15 | 159.9° | 120.8° |
CAW | CAM | H18 | H19 | 122.5° | 123.2° |
CAW | CAM | CAV | H26 | 132.6° | 81.1° |
OAH | CAR | OAE | CAS | 178.9° | 179.9° |
OAH | CAR | CAS | CAZ | 8.7° | 5.2° |
OAH | CAR | CAS | NAN | 170.7° | 174.8° |
OAH | CAR | OAE | H10 | 0.0° | 0.1° |
CAW | SAQ | CAZ | CAS | 116.2° | 118.1° |
CAW | SAQ | CAZ | CAU | 81.7° | 62.3° |
SAQ | CAW | CAK | H14 | 164.8° | 122.9° |
SAQ | CAW | CAK | H15 | 43.0° | 1.8° |
SAQ | CAW | CAM | H18 | 34.0° | 22.6° |
SAQ | CAW | CAM | H19 | 155.7° | 100.5° |
OAE | CAR | CAS | CAZ | 172.5° | 174.7° |
OAE | CAR | CAS | NAN | 8.1° | 5.3° |
CAR | CAS | CAZ | SAQ | 10.3° | 0.0° |
CAR | CAS | CAZ | NAN | 179.5° | 180.0° |
CAR | CAS | CAZ | CAU | 174.3° | 179.7° |
CAR | CAS | NAN | CAY | 167.8° | 180.0° |
CAS | CAR | OAE | H10 | 178.8° | 180.0° |
CAR | CAS | NAN | H20 | 48.0° | 0.3° |
SAQ | CAZ | CAS | CAU | 164.0° | 179.7° |
SAQ | CAZ | CAS | NAN | 170.3° | 180.0° |
SAQ | CAZ | CAU | CAY | 174.6° | 179.9° |
SAQ | CAZ | CAU | CAB | 63.1° | 61.1° |
SAQ | CAZ | CAU | H25 | 58.3° | 61.2° |
CAZ | SAQ | CAW | H27 | 73.3° | 52.4° |
CAZ | CAS | NAN | CAY | 11.7° | 0.0° |
CAS | CAZ | CAU | CAY | 20.2° | 0.4° |
CAS | CAZ | CAU | CAB | 102.1° | 118.6° |
CAZ | CAS | NAN | H20 | 131.6° | 179.7° |
CAS | CAZ | CAU | H25 | 136.5° | 119.1° |
NAN | CAS | CAZ | CAU | 6.2° | 0.3° |
CAS | NAN | CAY | H20 | 119.9° | 179.7° |
CAS | NAN | CAY | CAU | 23.4° | 0.3° |
CAS | NAN | CAY | CAX | 147.2° | 119.1° |
CAS | NAN | CAY | H29 | 92.8° | 118.5° |
CAZ | CAU | CAY | NAN | 25.7° | 0.4° |
CAZ | CAU | CAY | CAB | 119.9° | 119.2° |
CAZ | CAU | CAY | H25 | 116.6° | 118.5° |
CAZ | CAU | CAB | H25 | 121.4° | 122.2° |
CAZ | CAU | CAY | CAX | 143.1° | 119.2° |
CAZ | CAU | CAB | H4 | 180.0° | 46.1° |
CAZ | CAU | CAB | H5 | 60.0° | 74.0° |
CAZ | CAU | CAB | H6 | 60.0° | 166.0° |
CAZ | CAU | CAY | H29 | 91.5° | 118.3° |
NAN | CAY | CAU | CAX | 117.4° | 118.8° |
NAN | CAY | CAU | H29 | 117.2° | 118.7° |
NAN | CAY | CAU | CAB | 94.2° | 118.8° |
NAN | CAY | CAX | H29 | 120.6° | 122.3° |
NAN | CAY | CAX | CAJ | 34.4° | 53.0° |
NAN | CAY | CAX | CAT | 155.8° | 67.0° |
NAN | CAY | CAU | H25 | 142.3° | 118.9° |
NAN | CAY | CAX | H28 | 84.5° | 173.0° |
CAY | CAU | CAB | H25 | 123.3° | 122.4° |
CAU | CAY | CAX | H29 | 125.2° | 122.4° |
CAU | CAY | CAX | CAJ | 148.6° | 62.2° |
CAU | CAY | CAX | CAT | 90.0° | 177.8° |
CAY | CAU | CAB | H4 | 64.6° | 69.3° |
CAY | CAU | CAB | H5 | 55.4° | 170.6° |
CAY | CAU | CAB | H6 | 175.4° | 50.6° |
CAU | CAY | NAN | H20 | 143.3° | 180.0° |
CAU | CAY | CAX | H28 | 29.7° | 57.8° |
CAB | CAU | CAY | CAX | 23.2° | 0.0° |
CAU | CAB | H4 | H5 | 120.0° | 120.1° |
CAU | CAB | H4 | H6 | 120.0° | 119.9° |
CAU | CAB | H5 | H6 | 120.0° | 120.0° |
CAB | CAU | CAY | H29 | 148.6° | 122.5° |
CAY | CAX | CAJ | CAT | 121.0° | 120.0° |
CAY | CAX | CAJ | H28 | 118.8° | 120.0° |
CAY | CAX | CAJ | OAD | 98.6° | 126.9° |
CAY | CAX | CAT | H28 | 119.7° | 120.0° |
CAY | CAX | CAT | OAI | 55.9° | 60.0° |
CAY | CAX | CAT | CAA | 177.2° | 180.0° |
CAY | CAX | CAJ | H12 | 81.4° | 53.2° |
CAX | CAY | NAN | H20 | 92.9° | 61.2° |
CAY | CAX | CAT | H24 | 62.4° | 60.0° |
CAX | CAY | CAU | H25 | 100.3° | 122.4° |
CAX | CAJ | OAD | H12 | 180.0° | 179.9° |
CAJ | CAX | CAT | H28 | 120.3° | 120.0° |
CAJ | CAX | CAT | OAI | 175.9° | 180.0° |
CAJ | CAX | CAT | CAA | 62.9° | 60.0° |
CAJ | CAX | CAT | H24 | 57.5° | 60.0° |
CAJ | CAX | CAY | H29 | 86.2° | 175.3° |
OAD | CAJ | CAX | CAT | 140.4° | 113.1° |
OAD | CAJ | CAX | H28 | 20.2° | 6.9° |
CAX | CAT | OAI | CAA | 123.7° | 120.0° |
CAX | CAT | OAI | H24 | 117.3° | 120.0° |
CAX | CAT | CAA | H24 | 120.5° | 120.0° |
CAX | CAT | CAA | H1 | 180.0° | 180.0° |
CAX | CAT | CAA | H2 | 60.0° | 60.0° |
CAX | CAT | CAA | H3 | 60.0° | 60.0° |
CAX | CAT | OAI | H11 | 180.0° | 60.1° |
CAT | CAX | CAJ | H12 | 39.6° | 66.8° |
CAT | CAX | CAY | H29 | 35.2° | 55.3° |
OAI | CAT | CAA | H24 | 120.1° | 120.0° |
OAI | CAT | CAA | H1 | 60.6° | 60.0° |
OAI | CAT | CAA | H2 | 179.4° | 180.0° |
OAI | CAT | CAA | H3 | 59.5° | 60.0° |
OAI | CAT | CAX | H28 | 63.8° | 60.0° |
CAT | CAA | H1 | H2 | 120.0° | 120.0° |
CAT | CAA | H1 | H3 | 120.0° | 120.0° |
CAT | CAA | H2 | H3 | 120.0° | 119.9° |
CAA | CAT | OAI | H11 | 56.3° | 60.0° |
CAA | CAT | CAX | H28 | 57.5° | 60.0° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H1 | CAA | CAT | H24 | 59.5° | 60.0° |
H2 | CAA | CAT | H24 | 60.5° | 60.0° |
H3 | CAA | CAT | H24 | 179.6° | 179.9° |
H4 | CAB | H5 | H6 | 120.0° | 120.0° |
H4 | CAB | CAU | H25 | 58.7° | 168.3° |
H5 | CAB | CAU | H25 | 178.6° | 48.2° |
H6 | CAB | CAU | H25 | 61.4° | 71.8° |
H11 | OAI | CAT | H24 | 62.7° | 179.9° |
H12 | CAJ | CAX | H28 | 159.8° | 173.2° |
H14 | CAK | NAO | H21 | 33.1° | 26.5° |
H14 | CAK | CAW | H27 | 42.6° | 0.7° |
H15 | CAK | NAO | H21 | 88.7° | 94.8° |
H15 | CAK | CAW | H27 | 79.2° | 120.3° |
H16 | CAL | NAP | H23 | 158.8° | 105.0° |
H16 | CAL | CAV | H26 | 169.1° | 173.5° |
H17 | CAL | NAP | H23 | 39.3° | 135.0° |
H17 | CAL | CAV | H26 | 71.4° | 53.4° |
H18 | CAM | CAV | H26 | 108.2° | 160.6° |
H18 | CAM | CAW | H27 | 86.7° | 144.7° |
H19 | CAM | CAV | H26 | 13.5° | 37.4° |
H19 | CAM | CAW | H27 | 35.1° | 21.6° |
H20 | NAN | CAY | H29 | 27.1° | 61.2° |
H21 | NAO | CAV | H26 | 12.4° | 41.1° |
H24 | CAT | CAX | H28 | 177.9° | 180.0° |
H25 | CAU | CAY | H29 | 25.1° | 0.1° |
H28 | CAX | CAY | H29 | 155.0° | 64.7° |