EB3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAW | sing | 1.53Å | 1.56Å | |
| CAV | CAU | sing | 1.53Å | 1.50Å | |
| CAW | CAX | sing | 1.53Å | 1.53Å | |
| CAU | CAT | sing | 1.53Å | 1.51Å | |
| CAX | CAY | sing | 1.53Å | 1.50Å | |
| CAT | CAY | sing | 1.53Å | 1.53Å | |
| CAT | NAS | sing | 1.47Å | 1.49Å | |
| NAS | SAP | sing | 1.66Å | 1.73Å | |
| OAQ | SAP | doub | 1.42Å | 1.51Å | |
| SAP | OAR | doub | 1.42Å | 1.51Å | |
| SAP | CAH | sing | 1.76Å | 1.76Å | |
| CAH | CAG | doub | 1.37Å | 1.41Å | Aromatic |
| CAH | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAI | doub | 1.40Å | 1.42Å | Aromatic |
| CAJ | CAK | sing | 1.37Å | 1.41Å | Aromatic |
| CAG | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAA | sing | 1.39Å | 1.35Å | Aromatic |
| CAK | CAL | doub | 1.39Å | 1.42Å | Aromatic |
| CAA | CAE | sing | 1.39Å | 1.36Å | Aromatic |
| CAA | CAB | doub | 1.40Å | 1.34Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.34Å | Aromatic |
| CAL | CAB | sing | 1.38Å | 1.35Å | Aromatic |
| CAE | NAD | sing | 1.39Å | 1.34Å | |
| CAB | CAC | sing | 1.47Å | 1.37Å | |
| NAD | CAC | sing | 1.36Å | 1.33Å | |
| NAD | CAM | sing | 1.47Å | 1.44Å | |
| CAC | OAN | doub | 1.22Å | 1.24Å | |
| CAO | CAM | sing | 1.53Å | 1.55Å | |
| 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 | |
| CAT | H11 | sing | 1.09Å | 1.10Å | |
| NAS | H12 | sing | 0.97Å | 1.00Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| CAK | H16 | sing | 1.08Å | 1.08Å | |
| CAL | H17 | sing | 1.08Å | 1.08Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAM | H19 | sing | 1.09Å | 1.10Å | |
| CAO | H20 | sing | 1.09Å | 1.10Å | |
| CAO | H21 | sing | 1.09Å | 1.10Å | |
| CAO | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAW | CAV | CAU | 109.8° | 109.5° |
| CAV | CAW | CAX | 112.7° | 109.5° |
| CAW | CAV | H3 | 109.4° | 109.5° |
| CAW | CAV | H4 | 109.4° | 109.5° |
| CAV | CAW | H5 | 108.7° | 109.5° |
| CAV | CAW | H6 | 108.6° | 109.5° |
| CAV | CAU | CAT | 117.0° | 109.5° |
| CAV | CAU | H1 | 107.6° | 109.4° |
| CAV | CAU | H2 | 107.5° | 109.5° |
| CAU | CAV | H3 | 109.4° | 109.5° |
| CAU | CAV | H4 | 109.4° | 109.5° |
| CAW | CAX | CAY | 115.1° | 109.5° |
| CAX | CAW | H5 | 108.7° | 109.5° |
| CAX | CAW | H6 | 108.7° | 109.4° |
| CAW | CAX | H7 | 108.0° | 109.5° |
| CAW | CAX | H8 | 108.0° | 109.5° |
| CAU | CAT | CAY | 120.1° | 109.5° |
| CAU | CAT | NAS | 117.5° | 109.5° |
| CAT | CAU | H1 | 107.5° | 109.5° |
| CAT | CAU | H2 | 107.5° | 109.5° |
| CAU | CAT | H11 | 101.3° | 109.5° |
| CAX | CAY | CAT | 113.6° | 109.5° |
| CAY | CAX | H7 | 108.0° | 109.4° |
| CAY | CAX | H8 | 108.0° | 109.5° |
| CAX | CAY | H9 | 108.4° | 109.5° |
| CAX | CAY | H10 | 108.4° | 109.5° |
| CAY | CAT | NAS | 111.1° | 109.5° |
| CAT | CAY | H9 | 108.4° | 109.4° |
| CAT | CAY | H10 | 108.4° | 109.4° |
| CAY | CAT | H11 | 101.2° | 109.5° |
| CAT | NAS | SAP | 134.2° | 120.0° |
| NAS | CAT | H11 | 101.5° | 109.5° |
| CAT | NAS | H12 | 103.0° | 120.0° |
| NAS | SAP | OAQ | 111.4° | 106.4° |
| NAS | SAP | OAR | 101.8° | 106.4° |
| NAS | SAP | CAH | 110.0° | 107.2° |
| SAP | NAS | H12 | 103.0° | 120.0° |
| OAQ | SAP | OAR | 117.0° | 123.1° |
| OAQ | SAP | CAH | 111.9° | 106.4° |
| OAR | SAP | CAH | 104.1° | 106.4° |
| SAP | CAH | CAG | 117.7° | 120.7° |
| SAP | CAH | CAI | 124.4° | 120.8° |
| CAG | CAH | CAI | 117.9° | 118.5° |
| CAH | CAG | CAF | 120.1° | 123.3° |
| CAH | CAG | H13 | 120.0° | 118.4° |
| CAH | CAI | CAJ | 125.1° | 125.8° |
| CAH | CAI | CAA | 118.2° | 117.0° |
| CAI | CAJ | CAK | 118.7° | 118.9° |
| CAJ | CAI | CAA | 116.7° | 117.2° |
| CAI | CAJ | H15 | 120.7° | 120.6° |
| CAJ | CAK | CAL | 119.2° | 123.2° |
| CAK | CAJ | H15 | 120.6° | 120.5° |
| CAJ | CAK | H16 | 120.4° | 118.4° |
| CAG | CAF | CAE | 120.4° | 120.0° |
| CAF | CAG | H13 | 120.0° | 118.4° |
| CAG | CAF | H14 | 119.8° | 120.0° |
| CAI | CAA | CAE | 124.6° | 125.2° |
| CAI | CAA | CAB | 126.8° | 124.3° |
| CAK | CAL | CAB | 120.8° | 119.7° |
| CAL | CAK | H16 | 120.4° | 118.5° |
| CAK | CAL | H17 | 119.6° | 120.2° |
| CAE | CAA | CAB | 108.7° | 110.5° |
| CAA | CAE | CAF | 118.9° | 116.1° |
| CAA | CAE | NAD | 108.5° | 106.9° |
| CAA | CAB | CAL | 117.9° | 116.7° |
| CAA | CAB | CAC | 105.6° | 104.2° |
| CAF | CAE | NAD | 132.5° | 137.0° |
| CAE | CAF | H14 | 119.8° | 120.0° |
| CAL | CAB | CAC | 136.5° | 139.1° |
| CAB | CAL | H17 | 119.6° | 120.1° |
| CAE | NAD | CAC | 107.0° | 110.3° |
| CAE | NAD | CAM | 125.7° | 124.8° |
| CAB | CAC | NAD | 110.1° | 108.0° |
| CAB | CAC | OAN | 129.2° | 125.9° |
| CAC | NAD | CAM | 127.2° | 124.8° |
| NAD | CAC | OAN | 120.0° | 126.1° |
| NAD | CAM | CAO | 108.2° | 109.5° |
| NAD | CAM | H18 | 109.8° | 109.5° |
| NAD | CAM | H19 | 109.8° | 109.5° |
| CAO | CAM | H18 | 109.8° | 109.4° |
| CAO | CAM | H19 | 109.8° | 109.4° |
| CAM | CAO | H20 | 109.5° | 109.5° |
| CAM | CAO | H21 | 109.5° | 109.4° |
| CAM | CAO | H22 | 109.5° | 109.5° |
| H1 | CAU | H2 | 109.5° | 109.5° |
| H3 | CAV | H4 | 109.5° | 109.4° |
| H5 | CAW | H6 | 109.5° | 109.4° |
| H7 | CAX | H8 | 109.5° | 109.5° |
| H9 | CAY | H10 | 109.5° | 109.5° |
| H18 | CAM | H19 | 109.5° | 109.5° |
| H20 | CAO | H21 | 109.5° | 109.4° |
| H20 | CAO | H22 | 109.5° | 109.5° |
| H21 | CAO | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAW | CAV | CAU | H3 | 120.0° | 120.0° |
| CAW | CAV | CAU | H4 | 120.0° | 120.0° |
| CAV | CAW | CAX | H5 | 120.5° | 120.1° |
| CAV | CAW | CAX | H6 | 120.5° | 120.0° |
| CAW | CAV | CAU | CAT | 20.6° | 60.0° |
| CAV | CAW | CAX | CAY | 50.0° | 60.0° |
| CAW | CAV | CAU | H1 | 141.7° | 60.0° |
| CAW | CAV | CAU | H2 | 100.5° | 180.0° |
| CAW | CAV | H3 | H4 | 119.9° | 120.0° |
| CAV | CAW | H5 | H6 | 118.5° | 120.0° |
| CAV | CAW | CAX | H7 | 170.9° | 60.0° |
| CAV | CAW | CAX | H8 | 70.8° | 180.0° |
| CAU | CAV | CAW | CAX | 57.8° | 60.0° |
| CAV | CAU | CAT | H1 | 121.1° | 120.0° |
| CAV | CAU | CAT | H2 | 121.1° | 120.0° |
| CAV | CAU | CAT | CAY | 24.5° | 60.0° |
| CAV | CAU | CAT | NAS | 164.9° | 180.0° |
| CAV | CAU | H1 | H2 | 116.6° | 120.0° |
| CAU | CAV | H3 | H4 | 119.9° | 120.0° |
| CAU | CAV | CAW | H5 | 62.7° | 180.0° |
| CAU | CAV | CAW | H6 | 178.3° | 60.0° |
| CAV | CAU | CAT | H11 | 85.6° | 60.0° |
| CAW | CAX | CAY | H7 | 120.8° | 120.0° |
| CAW | CAX | CAY | H8 | 120.8° | 120.0° |
| CAW | CAX | CAY | CAT | 4.6° | 60.0° |
| CAX | CAW | CAV | H3 | 62.2° | 60.0° |
| CAX | CAW | CAV | H4 | 177.8° | 180.0° |
| CAX | CAW | H5 | H6 | 118.5° | 119.9° |
| CAW | CAX | H7 | H8 | 117.4° | 120.0° |
| CAW | CAX | CAY | H9 | 116.0° | 179.9° |
| CAW | CAX | CAY | H10 | 125.2° | 60.0° |
| CAU | CAT | CAY | CAX | 33.3° | 60.0° |
| CAU | CAT | CAY | NAS | 142.7° | 120.0° |
| CAU | CAT | CAY | H11 | 110.2° | 120.0° |
| CAU | CAT | NAS | H11 | 109.4° | 120.0° |
| CAU | CAT | NAS | SAP | 62.7° | 117.5° |
| CAT | CAU | H1 | H2 | 116.6° | 120.0° |
| CAT | CAU | CAV | H3 | 99.4° | 60.0° |
| CAT | CAU | CAV | H4 | 140.6° | 180.0° |
| CAU | CAT | CAY | H9 | 153.9° | 180.0° |
| CAU | CAT | CAY | H10 | 87.3° | 60.0° |
| CAU | CAT | NAS | H12 | 60.4° | 62.4° |
| CAX | CAY | CAT | H9 | 120.6° | 120.0° |
| CAX | CAY | CAT | H10 | 120.6° | 120.0° |
| CAX | CAY | CAT | NAS | 176.0° | 180.0° |
| CAY | CAX | CAW | H5 | 70.5° | 180.0° |
| CAY | CAX | CAW | H6 | 170.5° | 60.1° |
| CAY | CAX | H7 | H8 | 117.4° | 120.0° |
| CAX | CAY | H9 | H10 | 118.1° | 120.1° |
| CAX | CAY | CAT | H11 | 76.9° | 60.0° |
| CAY | CAT | NAS | H11 | 106.9° | 120.0° |
| CAY | CAT | NAS | SAP | 81.1° | 122.5° |
| CAY | CAT | CAU | H1 | 96.6° | 60.0° |
| CAY | CAT | CAU | H2 | 145.6° | 180.0° |
| CAT | CAY | CAX | H7 | 125.4° | 60.0° |
| CAT | CAY | CAX | H8 | 116.2° | 180.0° |
| CAT | CAY | H9 | H10 | 118.1° | 119.9° |
| CAY | CAT | NAS | H12 | 155.8° | 57.6° |
| CAT | NAS | SAP | H12 | 123.1° | 180.0° |
| CAT | NAS | SAP | OAQ | 52.2° | 177.5° |
| CAT | NAS | SAP | OAR | 177.7° | 49.7° |
| CAT | NAS | SAP | CAH | 72.4° | 63.9° |
| NAS | CAT | CAU | H1 | 43.8° | 60.0° |
| NAS | CAT | CAU | H2 | 74.0° | 60.0° |
| NAS | CAT | CAY | H9 | 63.4° | 60.0° |
| NAS | CAT | CAY | H10 | 55.5° | 60.0° |
| NAS | SAP | OAQ | OAR | 116.5° | 123.0° |
| NAS | SAP | OAQ | CAH | 123.5° | 114.1° |
| NAS | SAP | OAR | CAH | 114.3° | 114.1° |
| NAS | SAP | CAH | CAG | 131.7° | 115.7° |
| NAS | SAP | CAH | CAI | 50.5° | 64.0° |
| SAP | NAS | CAT | H11 | 172.0° | 2.4° |
| OAQ | SAP | OAR | CAH | 124.0° | 122.9° |
| OAQ | SAP | CAH | CAG | 7.4° | 130.7° |
| OAQ | SAP | CAH | CAI | 174.9° | 49.6° |
| OAQ | SAP | NAS | H12 | 70.8° | 2.6° |
| OAR | SAP | CAH | CAG | 119.8° | 2.1° |
| OAR | SAP | CAH | CAI | 57.9° | 177.6° |
| OAR | SAP | NAS | H12 | 54.6° | 130.3° |
| SAP | CAH | CAG | CAI | 177.9° | 179.7° |
| SAP | CAH | CAI | CAJ | 2.9° | 0.0° |
| SAP | CAH | CAG | CAF | 179.1° | 180.0° |
| SAP | CAH | CAI | CAA | 179.5° | 179.7° |
| CAH | SAP | NAS | H12 | 164.5° | 116.1° |
| SAP | CAH | CAG | H13 | 0.9° | 0.0° |
| CAG | CAH | CAI | CAJ | 179.3° | 179.7° |
| CAH | CAG | CAF | H13 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAA | 1.8° | 0.6° |
| CAH | CAG | CAF | CAE | 0.8° | 0.0° |
| CAH | CAG | CAF | H14 | 179.2° | 180.0° |
| CAH | CAI | CAJ | CAA | 177.6° | 179.7° |
| CAH | CAI | CAJ | CAK | 178.6° | 180.0° |
| CAI | CAH | CAG | CAF | 1.2° | 0.3° |
| CAH | CAI | CAA | CAE | 2.0° | 0.6° |
| CAH | CAI | CAA | CAB | 178.1° | 179.8° |
| CAI | CAH | CAG | H13 | 178.8° | 179.7° |
| CAH | CAI | CAJ | H15 | 1.4° | 0.1° |
| CAI | CAJ | CAK | H15 | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAL | 0.4° | 0.0° |
| CAJ | CAI | CAA | CAE | 179.8° | 179.6° |
| CAJ | CAI | CAA | CAB | 0.3° | 0.1° |
| CAI | CAJ | CAK | H16 | 179.6° | 180.0° |
| CAK | CAJ | CAI | CAA | 1.0° | 0.3° |
| CAJ | CAK | CAL | H16 | 180.0° | 180.0° |
| CAJ | CAK | CAL | CAB | 0.9° | 0.5° |
| CAJ | CAK | CAL | H17 | 179.1° | 179.9° |
| CAG | CAF | CAE | CAA | 0.9° | 0.1° |
| CAG | CAF | CAE | H14 | 180.0° | 180.0° |
| CAG | CAF | CAE | NAD | 178.2° | 179.9° |
| CAI | CAA | CAE | CAB | 179.9° | 179.6° |
| CAI | CAA | CAE | CAF | 1.6° | 0.4° |
| CAI | CAA | CAB | CAL | 1.0° | 0.5° |
| CAI | CAA | CAE | NAD | 179.5° | 179.7° |
| CAI | CAA | CAB | CAC | 179.5° | 179.7° |
| CAA | CAI | CAJ | H15 | 179.0° | 179.7° |
| CAK | CAL | CAB | CAA | 1.6° | 0.8° |
| CAK | CAL | CAB | H17 | 180.0° | 179.4° |
| CAK | CAL | CAB | CAC | 179.5° | 179.6° |
| CAL | CAK | CAJ | H15 | 179.6° | 180.0° |
| CAA | CAE | CAF | NAD | 177.3° | 179.9° |
| CAE | CAA | CAB | CAL | 178.9° | 179.1° |
| CAE | CAA | CAB | CAC | 0.4° | 0.1° |
| CAA | CAE | NAD | CAC | 1.4° | 0.1° |
| CAA | CAE | NAD | CAM | 179.2° | 180.0° |
| CAA | CAE | CAF | H14 | 179.1° | 179.9° |
| CAB | CAA | CAE | CAF | 178.5° | 180.0° |
| CAA | CAB | CAL | CAC | 177.9° | 178.8° |
| CAB | CAA | CAE | NAD | 0.6° | 0.1° |
| CAA | CAB | CAC | NAD | 1.3° | 0.0° |
| CAA | CAB | CAC | OAN | 171.7° | 180.0° |
| CAA | CAB | CAL | H17 | 178.4° | 179.8° |
| CAF | CAE | NAD | CAC | 178.9° | 180.0° |
| CAF | CAE | NAD | CAM | 3.2° | 0.1° |
| CAE | CAF | CAG | H13 | 179.2° | 180.0° |
| CAL | CAB | CAC | NAD | 179.3° | 178.9° |
| CAL | CAB | CAC | OAN | 10.2° | 1.1° |
| CAB | CAL | CAK | H16 | 179.1° | 179.4° |
| CAE | NAD | CAC | CAB | 1.6° | 0.0° |
| CAE | NAD | CAC | CAM | 177.8° | 179.9° |
| CAE | NAD | CAC | OAN | 173.1° | 180.0° |
| CAE | NAD | CAM | CAO | 91.6° | 90.0° |
| NAD | CAE | CAF | H14 | 1.8° | 0.1° |
| CAE | NAD | CAM | H18 | 28.2° | 150.1° |
| CAE | NAD | CAM | H19 | 148.6° | 30.0° |
| CAB | CAC | NAD | OAN | 171.4° | 180.0° |
| CAB | CAC | NAD | CAM | 179.5° | 180.0° |
| CAC | CAB | CAL | H17 | 0.5° | 1.0° |
| CAC | NAD | CAM | CAO | 90.9° | 89.9° |
| CAC | NAD | CAM | H18 | 149.3° | 30.0° |
| CAC | NAD | CAM | H19 | 28.9° | 150.1° |
| CAM | NAD | CAC | OAN | 9.1° | 0.0° |
| NAD | CAM | CAO | H18 | 119.8° | 120.0° |
| NAD | CAM | CAO | H19 | 119.8° | 120.0° |
| NAD | CAM | H18 | H19 | 120.6° | 120.0° |
| NAD | CAM | CAO | H20 | 180.0° | 180.0° |
| NAD | CAM | CAO | H21 | 60.0° | 60.0° |
| NAD | CAM | CAO | H22 | 60.0° | 60.0° |
| CAO | CAM | H18 | H19 | 120.5° | 120.0° |
| CAM | CAO | H20 | H21 | 120.0° | 120.0° |
| CAM | CAO | H20 | H22 | 120.0° | 120.1° |
| CAM | CAO | H21 | H22 | 120.0° | 120.0° |
| H1 | CAU | CAV | H3 | 21.7° | 180.0° |
| H1 | CAU | CAV | H4 | 98.3° | 60.0° |
| H1 | CAU | CAT | H11 | 153.3° | 180.0° |
| H2 | CAU | CAV | H3 | 139.5° | 60.0° |
| H2 | CAU | CAV | H4 | 19.6° | 60.0° |
| H2 | CAU | CAT | H11 | 35.5° | 60.0° |
| H3 | CAV | CAW | H5 | 177.3° | 60.0° |
| H3 | CAV | CAW | H6 | 58.2° | 180.0° |
| H4 | CAV | CAW | H5 | 57.3° | 60.0° |
| H4 | CAV | CAW | H6 | 61.7° | 60.0° |
| H5 | CAW | CAX | H7 | 50.4° | 60.1° |
| H5 | CAW | CAX | H8 | 168.7° | 60.0° |
| H6 | CAW | CAX | H7 | 68.7° | 180.0° |
| H6 | CAW | CAX | H8 | 49.7° | 60.0° |
| H7 | CAX | CAY | H9 | 4.8° | 60.0° |
| H7 | CAX | CAY | H10 | 114.0° | 180.0° |
| H8 | CAX | CAY | H9 | 123.2° | 60.0° |
| H8 | CAX | CAY | H10 | 4.4° | 60.0° |
| H9 | CAY | CAT | H11 | 43.7° | 60.0° |
| H10 | CAY | CAT | H11 | 162.5° | 180.0° |
| H11 | CAT | NAS | H12 | 49.0° | 177.6° |
| H13 | CAG | CAF | H14 | 0.8° | 0.1° |
| H15 | CAJ | CAK | H16 | 0.4° | 0.1° |
| H16 | CAK | CAL | H17 | 0.9° | 0.0° |
| H18 | CAM | CAO | H20 | 60.2° | 60.0° |
| H18 | CAM | CAO | H21 | 179.8° | 180.0° |
| H18 | CAM | CAO | H22 | 59.8° | 60.0° |
| H19 | CAM | CAO | H20 | 60.2° | 60.0° |
| H19 | CAM | CAO | H21 | 59.8° | 60.0° |
| H19 | CAM | CAO | H22 | 179.8° | 180.0° |
| H20 | CAO | H21 | H22 | 120.0° | 120.0° |
