EB2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAX | CAY | sing | 1.51Å | 1.53Å | |
CAX | CAW | sing | 1.54Å | 1.54Å | |
CAY | CAZ | sing | 1.54Å | 1.48Å | |
CAW | CAV | sing | 1.45Å | 1.53Å | |
CAZ | CAT | sing | 1.54Å | 1.56Å | |
CAV | CAU | sing | 1.54Å | 1.49Å | |
CAT | CAU | sing | 1.50Å | 1.55Å | |
CAT | NAS | sing | 1.47Å | 1.49Å | |
NAS | SAP | sing | 1.66Å | 1.55Å | |
OAR | SAP | doub | 1.42Å | 1.42Å | |
SAP | OAQ | doub | 1.42Å | 1.52Å | |
SAP | CAC | sing | 1.76Å | 1.82Å | |
CAC | CAD | doub | 1.41Å | 1.41Å | Aromatic |
CAC | CAB | sing | 1.37Å | 1.41Å | Aromatic |
CAG | CAD | sing | 1.41Å | 1.42Å | Aromatic |
CAG | CAH | doub | 1.37Å | 1.40Å | Aromatic |
CAD | CAE | sing | 1.40Å | 1.37Å | Aromatic |
CAB | CAA | doub | 1.39Å | 1.40Å | Aromatic |
CAH | CAI | sing | 1.39Å | 1.42Å | Aromatic |
CAE | CAF | doub | 1.39Å | 1.36Å | Aromatic |
CAE | CAJ | sing | 1.40Å | 1.33Å | Aromatic |
CAA | CAF | sing | 1.38Å | 1.34Å | Aromatic |
CAI | CAJ | doub | 1.38Å | 1.37Å | Aromatic |
CAF | NAK | sing | 1.39Å | 1.33Å | |
CAJ | CAL | sing | 1.47Å | 1.38Å | |
NAK | CAL | sing | 1.36Å | 1.34Å | |
NAK | CAM | sing | 1.47Å | 1.47Å | |
CAL | OAO | doub | 1.22Å | 1.24Å | |
CAN | CAM | sing | 1.53Å | 1.54Å | |
CAU | H1 | sing | 1.09Å | 1.10Å | |
CAU | H2 | sing | 1.09Å | 1.10Å | |
CAV | H3 | sing | 1.09Å | 1.10Å | |
CAV | H4 | sing | 1.09Å | 1.10Å | |
CAW | H5 | sing | 1.09Å | 1.10Å | |
CAW | H6 | sing | 1.09Å | 1.10Å | |
CAX | H7 | sing | 1.09Å | 1.10Å | |
CAX | H8 | sing | 1.09Å | 1.10Å | |
CAY | H9 | sing | 1.09Å | 1.10Å | |
CAY | H10 | sing | 1.09Å | 1.10Å | |
CAZ | H11 | sing | 1.09Å | 1.10Å | |
CAZ | H12 | sing | 1.09Å | 1.10Å | |
CAT | H13 | sing | 1.09Å | 1.10Å | |
NAS | H14 | sing | 0.97Å | 1.00Å | |
CAB | H15 | sing | 1.08Å | 1.08Å | |
CAA | H16 | sing | 1.08Å | 1.08Å | |
CAG | H17 | sing | 1.08Å | 1.08Å | |
CAH | H18 | sing | 1.08Å | 1.08Å | |
CAI | H19 | sing | 1.08Å | 1.08Å | |
CAM | H20 | sing | 1.09Å | 1.10Å | |
CAM | H21 | sing | 1.09Å | 1.10Å | |
CAN | H22 | sing | 1.09Å | 1.10Å | |
CAN | H23 | sing | 1.09Å | 1.10Å | |
CAN | H24 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAY | CAX | CAW | 116.4° | 108.5° |
CAX | CAY | CAZ | 114.8° | 112.5° |
CAY | CAX | H7 | 107.7° | 109.6° |
CAY | CAX | H8 | 107.7° | 109.6° |
CAX | CAY | H9 | 108.1° | 108.9° |
CAX | CAY | H10 | 108.1° | 108.9° |
CAX | CAW | CAV | 112.9° | 112.4° |
CAX | CAW | H5 | 108.6° | 108.9° |
CAX | CAW | H6 | 108.6° | 108.8° |
CAW | CAX | H7 | 107.7° | 109.6° |
CAW | CAX | H8 | 107.7° | 109.7° |
CAY | CAZ | CAT | 111.8° | 113.0° |
CAZ | CAY | H9 | 108.1° | 108.9° |
CAZ | CAY | H10 | 108.1° | 108.9° |
CAY | CAZ | H11 | 108.9° | 108.8° |
CAY | CAZ | H12 | 108.9° | 108.8° |
CAW | CAV | CAU | 107.0° | 112.4° |
CAW | CAV | H3 | 110.1° | 108.9° |
CAW | CAV | H4 | 110.1° | 108.9° |
CAV | CAW | H5 | 108.6° | 108.9° |
CAV | CAW | H6 | 108.6° | 108.8° |
CAZ | CAT | CAU | 110.6° | 112.4° |
CAZ | CAT | NAS | 110.4° | 108.8° |
CAT | CAZ | H11 | 108.9° | 108.9° |
CAT | CAZ | H12 | 108.9° | 108.7° |
CAZ | CAT | H13 | 110.2° | 108.9° |
CAV | CAU | CAT | 113.4° | 108.7° |
CAV | CAU | H1 | 108.4° | 109.6° |
CAV | CAU | H2 | 108.5° | 109.7° |
CAU | CAV | H3 | 110.1° | 108.9° |
CAU | CAV | H4 | 110.1° | 108.9° |
CAU | CAT | NAS | 103.9° | 109.2° |
CAT | CAU | H1 | 108.5° | 109.7° |
CAT | CAU | H2 | 108.5° | 109.6° |
CAU | CAT | H13 | 110.4° | 108.7° |
CAT | NAS | SAP | 124.4° | 120.0° |
NAS | CAT | H13 | 111.2° | 108.8° |
CAT | NAS | H14 | 105.7° | 120.0° |
NAS | SAP | OAR | 116.0° | 106.4° |
NAS | SAP | OAQ | 113.7° | 106.4° |
NAS | SAP | CAC | 101.7° | 107.2° |
SAP | NAS | H14 | 105.6° | 120.0° |
OAR | SAP | OAQ | 119.3° | 123.1° |
OAR | SAP | CAC | 102.4° | 106.4° |
OAQ | SAP | CAC | 99.3° | 106.5° |
SAP | CAC | CAD | 124.6° | 120.7° |
SAP | CAC | CAB | 119.3° | 120.7° |
CAD | CAC | CAB | 116.2° | 118.5° |
CAC | CAD | CAG | 124.8° | 125.8° |
CAC | CAD | CAE | 119.9° | 117.0° |
CAC | CAB | CAA | 120.7° | 123.2° |
CAC | CAB | H15 | 119.6° | 118.4° |
CAD | CAG | CAH | 119.2° | 118.9° |
CAG | CAD | CAE | 115.1° | 117.2° |
CAD | CAG | H17 | 120.4° | 120.5° |
CAG | CAH | CAI | 120.8° | 123.1° |
CAH | CAG | H17 | 120.4° | 120.5° |
CAG | CAH | H18 | 119.6° | 118.4° |
CAD | CAE | CAF | 123.1° | 125.2° |
CAD | CAE | CAJ | 127.6° | 124.2° |
CAB | CAA | CAF | 121.6° | 120.0° |
CAA | CAB | H15 | 119.6° | 118.4° |
CAB | CAA | H16 | 119.2° | 120.0° |
CAH | CAI | CAJ | 118.6° | 119.7° |
CAI | CAH | H18 | 119.6° | 118.5° |
CAH | CAI | H19 | 120.7° | 120.1° |
CAF | CAE | CAJ | 109.2° | 110.6° |
CAE | CAF | CAA | 118.4° | 116.1° |
CAE | CAF | NAK | 108.7° | 106.9° |
CAE | CAJ | CAI | 118.5° | 116.7° |
CAE | CAJ | CAL | 105.5° | 104.2° |
CAA | CAF | NAK | 132.9° | 137.0° |
CAF | CAA | H16 | 119.2° | 120.0° |
CAI | CAJ | CAL | 135.9° | 139.1° |
CAJ | CAI | H19 | 120.7° | 120.1° |
CAF | NAK | CAL | 106.7° | 110.3° |
CAF | NAK | CAM | 127.3° | 124.8° |
CAJ | CAL | NAK | 109.8° | 108.0° |
CAJ | CAL | OAO | 129.4° | 126.0° |
CAL | NAK | CAM | 125.9° | 124.8° |
NAK | CAL | OAO | 120.4° | 126.1° |
NAK | CAM | CAN | 110.8° | 109.5° |
NAK | CAM | H20 | 109.1° | 109.4° |
NAK | CAM | H21 | 109.1° | 109.5° |
CAN | CAM | H20 | 109.2° | 109.5° |
CAN | CAM | H21 | 109.1° | 109.5° |
CAM | CAN | H22 | 109.5° | 109.5° |
CAM | CAN | H23 | 109.5° | 109.5° |
CAM | CAN | H24 | 109.5° | 109.5° |
H1 | CAU | H2 | 109.5° | 109.6° |
H3 | CAV | H4 | 109.5° | 108.8° |
H5 | CAW | H6 | 109.5° | 108.9° |
H7 | CAX | H8 | 109.5° | 109.8° |
H9 | CAY | H10 | 109.5° | 108.8° |
H11 | CAZ | H12 | 109.4° | 108.7° |
H20 | CAM | H21 | 109.5° | 109.4° |
H22 | CAN | H23 | 109.4° | 109.5° |
H22 | CAN | H24 | 109.4° | 109.4° |
H23 | CAN | H24 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAY | CAX | CAW | H7 | 121.0° | 119.7° |
CAY | CAX | CAW | H8 | 121.0° | 119.7° |
CAX | CAY | CAZ | H9 | 120.8° | 120.8° |
CAX | CAY | CAZ | H10 | 120.8° | 120.7° |
CAY | CAX | CAW | CAV | 35.5° | 80.0° |
CAX | CAY | CAZ | CAT | 88.8° | 41.8° |
CAY | CAX | CAW | H5 | 85.0° | 159.2° |
CAY | CAX | CAW | H6 | 156.0° | 40.7° |
CAY | CAX | H7 | H8 | 116.8° | 120.4° |
CAX | CAY | H9 | H10 | 117.6° | 118.5° |
CAX | CAY | CAZ | H11 | 150.8° | 79.2° |
CAX | CAY | CAZ | H12 | 31.5° | 162.6° |
CAW | CAX | CAY | CAZ | 44.0° | 94.1° |
CAX | CAW | CAV | H5 | 120.5° | 120.8° |
CAX | CAW | CAV | H6 | 120.5° | 120.6° |
CAX | CAW | CAV | CAU | 90.8° | 61.9° |
CAX | CAW | CAV | H3 | 149.6° | 58.8° |
CAX | CAW | CAV | H4 | 28.8° | 177.4° |
CAX | CAW | H5 | H6 | 118.4° | 118.5° |
CAW | CAX | H7 | H8 | 116.9° | 120.5° |
CAW | CAX | CAY | H9 | 76.7° | 145.1° |
CAW | CAX | CAY | H10 | 164.8° | 26.6° |
CAY | CAZ | CAT | H11 | 120.4° | 120.9° |
CAY | CAZ | CAT | H12 | 120.4° | 120.8° |
CAY | CAZ | CAT | CAU | 73.5° | 41.4° |
CAY | CAZ | CAT | NAS | 172.1° | 162.5° |
CAZ | CAY | CAX | H7 | 76.9° | 25.6° |
CAZ | CAY | CAX | H8 | 165.1° | 146.2° |
CAZ | CAY | H9 | H10 | 117.6° | 118.5° |
CAY | CAZ | H11 | H12 | 118.9° | 118.3° |
CAY | CAZ | CAT | H13 | 48.9° | 79.1° |
CAW | CAV | CAU | H3 | 119.6° | 120.7° |
CAW | CAV | CAU | H4 | 119.6° | 120.7° |
CAW | CAV | CAU | CAT | 85.9° | 80.1° |
CAW | CAV | CAU | H1 | 34.7° | 39.8° |
CAW | CAV | CAU | H2 | 153.6° | 160.1° |
CAW | CAV | H3 | H4 | 121.2° | 118.6° |
CAV | CAW | H5 | H6 | 118.4° | 118.6° |
CAV | CAW | CAX | H7 | 156.5° | 39.7° |
CAV | CAW | CAX | H8 | 85.5° | 160.4° |
CAZ | CAT | CAU | CAV | 64.7° | 93.9° |
CAZ | CAT | CAU | NAS | 118.5° | 120.9° |
CAZ | CAT | CAU | H13 | 122.2° | 120.6° |
CAZ | CAT | NAS | H13 | 122.7° | 118.5° |
CAZ | CAT | NAS | SAP | 102.6° | 144.1° |
CAZ | CAT | CAU | H1 | 55.9° | 25.9° |
CAZ | CAT | CAU | H2 | 174.7° | 146.2° |
CAT | CAZ | CAY | H9 | 31.9° | 162.6° |
CAT | CAZ | CAY | H10 | 150.4° | 78.9° |
CAT | CAZ | H11 | H12 | 118.9° | 118.2° |
CAZ | CAT | NAS | H14 | 19.5° | 35.9° |
CAV | CAU | CAT | H1 | 120.6° | 119.8° |
CAV | CAU | CAT | H2 | 120.6° | 119.8° |
CAV | CAU | CAT | NAS | 176.9° | 145.2° |
CAV | CAU | H1 | H2 | 118.2° | 120.4° |
CAU | CAV | H3 | H4 | 121.1° | 118.5° |
CAU | CAV | CAW | H5 | 29.7° | 177.3° |
CAU | CAV | CAW | H6 | 148.7° | 58.7° |
CAV | CAU | CAT | H13 | 57.5° | 26.7° |
CAU | CAT | NAS | H13 | 118.7° | 118.5° |
CAU | CAT | NAS | SAP | 138.9° | 92.9° |
CAT | CAU | H1 | H2 | 118.2° | 120.4° |
CAT | CAU | CAV | H3 | 154.5° | 40.7° |
CAT | CAU | CAV | H4 | 33.8° | 159.2° |
CAU | CAT | CAZ | H11 | 166.2° | 162.4° |
CAU | CAT | CAZ | H12 | 46.9° | 79.4° |
CAU | CAT | NAS | H14 | 99.1° | 87.1° |
CAT | NAS | SAP | H14 | 122.1° | 179.9° |
CAT | NAS | SAP | OAR | 34.9° | 49.0° |
CAT | NAS | SAP | OAQ | 178.9° | 178.1° |
CAT | NAS | SAP | CAC | 75.3° | 64.6° |
NAS | CAT | CAU | H1 | 62.6° | 95.0° |
NAS | CAT | CAU | H2 | 56.3° | 25.4° |
NAS | CAT | CAZ | H11 | 51.7° | 76.6° |
NAS | CAT | CAZ | H12 | 67.5° | 41.7° |
NAS | SAP | OAR | OAQ | 141.9° | 122.9° |
NAS | SAP | OAR | CAC | 109.9° | 114.1° |
NAS | SAP | OAQ | CAC | 107.3° | 114.1° |
NAS | SAP | CAC | CAD | 58.9° | 64.2° |
NAS | SAP | CAC | CAB | 121.3° | 115.6° |
SAP | NAS | CAT | H13 | 20.1° | 25.6° |
OAR | SAP | OAQ | CAC | 110.0° | 123.0° |
OAR | SAP | CAC | CAD | 179.2° | 177.7° |
OAR | SAP | CAC | CAB | 1.0° | 2.1° |
OAR | SAP | NAS | H14 | 87.1° | 130.9° |
OAQ | SAP | CAC | CAD | 57.9° | 49.3° |
OAQ | SAP | CAC | CAB | 121.9° | 130.9° |
OAQ | SAP | NAS | H14 | 56.9° | 1.9° |
SAP | CAC | CAD | CAB | 179.8° | 179.8° |
SAP | CAC | CAD | CAG | 2.1° | 0.1° |
SAP | CAC | CAD | CAE | 177.3° | 179.7° |
SAP | CAC | CAB | CAA | 180.0° | 180.0° |
CAC | SAP | NAS | H14 | 162.6° | 115.5° |
SAP | CAC | CAB | H15 | 0.1° | 0.0° |
CAC | CAD | CAG | CAE | 175.4° | 179.8° |
CAC | CAD | CAG | CAH | 178.5° | 179.9° |
CAD | CAC | CAB | CAA | 0.2° | 0.2° |
CAC | CAD | CAE | CAF | 4.6° | 0.5° |
CAC | CAD | CAE | CAJ | 179.1° | 179.8° |
CAD | CAC | CAB | H15 | 179.8° | 179.8° |
CAC | CAD | CAG | H17 | 1.5° | 0.0° |
CAB | CAC | CAD | CAG | 178.1° | 179.7° |
CAB | CAC | CAD | CAE | 2.9° | 0.5° |
CAC | CAB | CAA | H15 | 180.0° | 180.0° |
CAC | CAB | CAA | CAF | 1.2° | 0.0° |
CAC | CAB | CAA | H16 | 178.8° | 180.0° |
CAD | CAG | CAH | H17 | 180.0° | 179.9° |
CAD | CAG | CAH | CAI | 1.9° | 0.0° |
CAG | CAD | CAE | CAF | 179.8° | 179.7° |
CAG | CAD | CAE | CAJ | 3.5° | 0.0° |
CAD | CAG | CAH | H18 | 178.1° | 180.0° |
CAH | CAG | CAD | CAE | 3.1° | 0.3° |
CAG | CAH | CAI | H18 | 180.0° | 180.0° |
CAG | CAH | CAI | CAJ | 0.5° | 0.5° |
CAG | CAH | CAI | H19 | 179.5° | 180.0° |
CAD | CAE | CAF | CAJ | 176.9° | 179.7° |
CAD | CAE | CAF | CAA | 3.2° | 0.2° |
CAD | CAE | CAJ | CAI | 2.2° | 0.5° |
CAD | CAE | CAF | NAK | 178.5° | 179.7° |
CAD | CAE | CAJ | CAL | 177.6° | 179.7° |
CAE | CAD | CAG | H17 | 176.9° | 179.8° |
CAB | CAA | CAF | CAE | 0.3° | 0.0° |
CAB | CAA | CAF | H16 | 180.0° | 180.0° |
CAB | CAA | CAF | NAK | 178.1° | 180.0° |
CAH | CAI | CAJ | CAE | 0.5° | 0.7° |
CAH | CAI | CAJ | H19 | 180.0° | 179.5° |
CAH | CAI | CAJ | CAL | 179.2° | 179.6° |
CAI | CAH | CAG | H17 | 178.1° | 180.0° |
CAE | CAF | CAA | NAK | 177.9° | 179.9° |
CAF | CAE | CAJ | CAI | 179.0° | 179.2° |
CAF | CAE | CAJ | CAL | 0.9° | 0.0° |
CAE | CAF | NAK | CAL | 1.5° | 0.0° |
CAE | CAF | NAK | CAM | 179.4° | 180.0° |
CAE | CAF | CAA | H16 | 179.7° | 180.0° |
CAJ | CAE | CAF | CAA | 179.9° | 180.0° |
CAE | CAJ | CAI | CAL | 179.8° | 178.9° |
CAJ | CAE | CAF | NAK | 1.5° | 0.0° |
CAE | CAJ | CAL | NAK | 0.1° | 0.0° |
CAE | CAJ | CAL | OAO | 172.4° | 179.9° |
CAE | CAJ | CAI | H19 | 179.4° | 179.8° |
CAA | CAF | NAK | CAL | 179.6° | 179.9° |
CAA | CAF | NAK | CAM | 1.4° | 0.0° |
CAF | CAA | CAB | H15 | 178.9° | 180.0° |
CAI | CAJ | CAL | NAK | 179.9° | 179.0° |
CAI | CAJ | CAL | OAO | 7.8° | 1.1° |
CAJ | CAI | CAH | H18 | 179.5° | 179.5° |
CAF | NAK | CAL | CAJ | 1.0° | 0.0° |
CAF | NAK | CAL | CAM | 179.1° | 180.0° |
CAF | NAK | CAL | OAO | 174.1° | 179.9° |
CAF | NAK | CAM | CAN | 91.1° | 90.0° |
NAK | CAF | CAA | H16 | 1.9° | 0.1° |
CAF | NAK | CAM | H20 | 29.1° | 150.0° |
CAF | NAK | CAM | H21 | 148.7° | 30.0° |
CAJ | CAL | NAK | OAO | 173.1° | 179.9° |
CAJ | CAL | NAK | CAM | 179.9° | 180.0° |
CAL | CAJ | CAI | H19 | 0.8° | 0.9° |
CAL | NAK | CAM | CAN | 89.9° | 90.0° |
CAL | NAK | CAM | H20 | 149.8° | 30.0° |
CAL | NAK | CAM | H21 | 30.2° | 150.0° |
CAM | NAK | CAL | OAO | 6.8° | 0.1° |
NAK | CAM | CAN | H20 | 120.2° | 120.0° |
NAK | CAM | CAN | H21 | 120.2° | 120.0° |
NAK | CAM | H20 | H21 | 119.4° | 120.0° |
NAK | CAM | CAN | H22 | 180.0° | 180.0° |
NAK | CAM | CAN | H23 | 60.0° | 60.0° |
NAK | CAM | CAN | H24 | 60.0° | 59.9° |
CAN | CAM | H20 | H21 | 119.4° | 120.0° |
CAM | CAN | H22 | H23 | 120.0° | 120.1° |
CAM | CAN | H22 | H24 | 120.0° | 120.0° |
CAM | CAN | H23 | H24 | 120.0° | 120.0° |
H1 | CAU | CAV | H3 | 84.9° | 160.5° |
H1 | CAU | CAV | H4 | 154.3° | 81.0° |
H1 | CAU | CAT | H13 | 178.1° | 146.5° |
H2 | CAU | CAV | H3 | 33.9° | 79.1° |
H2 | CAU | CAV | H4 | 86.8° | 39.4° |
H2 | CAU | CAT | H13 | 63.0° | 93.2° |
H3 | CAV | CAW | H5 | 89.9° | 62.0° |
H3 | CAV | CAW | H6 | 29.1° | 179.4° |
H4 | CAV | CAW | H5 | 149.3° | 56.5° |
H4 | CAV | CAW | H6 | 91.7° | 62.0° |
H5 | CAW | CAX | H7 | 36.0° | 81.1° |
H5 | CAW | CAX | H8 | 153.9° | 39.5° |
H6 | CAW | CAX | H7 | 83.0° | 160.4° |
H6 | CAW | CAX | H8 | 35.0° | 79.0° |
H7 | CAX | CAY | H9 | 162.3° | 95.2° |
H7 | CAX | CAY | H10 | 43.8° | 146.3° |
H8 | CAX | CAY | H9 | 44.3° | 25.3° |
H8 | CAX | CAY | H10 | 74.1° | 93.1° |
H9 | CAY | CAZ | H11 | 88.4° | 41.6° |
H9 | CAY | CAZ | H12 | 152.3° | 76.6° |
H10 | CAY | CAZ | H11 | 30.0° | 160.1° |
H10 | CAY | CAZ | H12 | 89.3° | 41.8° |
H11 | CAZ | CAT | H13 | 71.5° | 41.9° |
H12 | CAZ | CAT | H13 | 169.2° | 160.1° |
H13 | CAT | NAS | H14 | 142.2° | 154.4° |
H15 | CAB | CAA | H16 | 1.1° | 0.0° |
H17 | CAG | CAH | H18 | 1.9° | 0.0° |
H18 | CAH | CAI | H19 | 0.5° | 0.0° |
H20 | CAM | CAN | H22 | 59.8° | 60.0° |
H20 | CAM | CAN | H23 | 179.8° | 179.9° |
H20 | CAM | CAN | H24 | 60.2° | 60.0° |
H21 | CAM | CAN | H22 | 59.8° | 60.0° |
H21 | CAM | CAN | H23 | 60.2° | 60.1° |
H21 | CAM | CAN | H24 | 179.8° | 180.0° |
H22 | CAN | H23 | H24 | 119.9° | 119.9° |