E62
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAM | sing | 1.43Å | 1.46Å | |
| CAS | CAT | sing | 1.53Å | 1.54Å | |
| CAS | CAQ | sing | 1.51Å | 1.46Å | |
| CAO | CAM | sing | 1.53Å | 1.55Å | |
| CAO | OAP | sing | 1.43Å | 1.43Å | |
| CAO | CAQ | sing | 1.51Å | 1.45Å | |
| CAM | CAL | sing | 1.53Å | 1.52Å | |
| CAT | CAU | sing | 1.53Å | 1.64Å | |
| CAQ | OAR | doub | 1.21Å | 1.25Å | |
| CAK | CAL | sing | 1.51Å | 1.44Å | |
| CAK | CAJ | doub | 1.32Å | 1.42Å | |
| NAB | CAC | sing | 1.39Å | 1.35Å | |
| NAB | CAA | sing | 1.46Å | 1.48Å | |
| CAD | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | OAF | sing | 1.36Å | 1.36Å | |
| CAE | CAG | doub | 1.40Å | 1.38Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAG | sing | 1.42Å | 1.42Å | Aromatic |
| CAH | CAJ | sing | 1.47Å | 1.40Å | |
| CAG | CAZ | sing | 1.47Å | 1.41Å | |
| OBA | CAZ | doub | 1.22Å | 1.23Å | |
| CAZ | OAY | sing | 1.34Å | 1.35Å | |
| CAU | CAW | sing | 1.53Å | 1.54Å | |
| CAU | CAV | sing | 1.53Å | 1.56Å | |
| OAY | CAW | sing | 1.46Å | 1.44Å | |
| CAW | CAX | sing | 1.53Å | 1.53Å | |
| CAV | H1 | sing | 1.09Å | 1.10Å | |
| CAV | H2 | sing | 1.09Å | 1.10Å | |
| CAV | H3 | sing | 1.09Å | 1.10Å | |
| CAU | H4 | sing | 1.09Å | 1.10Å | |
| CAT | H5 | sing | 1.09Å | 1.10Å | |
| CAT | H6 | sing | 1.09Å | 1.10Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| OAP | H10 | sing | 0.97Å | 0.95Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| OAN | H12 | sing | 0.97Å | 0.95Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAJ | H16 | sing | 1.09Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| NAB | H18 | sing | 0.97Å | 1.00Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAD | H22 | sing | 1.08Å | 1.08Å | |
| OAF | H23 | sing | 0.97Å | 0.95Å | |
| CAW | H24 | sing | 1.09Å | 1.10Å | |
| CAX | H25 | sing | 1.09Å | 1.10Å | |
| CAX | H26 | sing | 1.09Å | 1.10Å | |
| CAX | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAM | CAO | 110.2° | 109.2° |
| OAN | CAM | CAL | 104.4° | 109.1° |
| OAN | CAM | H11 | 109.7° | 108.8° |
| CAM | OAN | H12 | 109.5° | 114.0° |
| CAT | CAS | CAQ | 113.6° | 109.7° |
| CAS | CAT | CAU | 122.2° | 110.0° |
| CAS | CAT | H5 | 106.2° | 109.5° |
| CAS | CAT | H6 | 106.2° | 109.3° |
| CAT | CAS | H7 | 108.4° | 109.1° |
| CAT | CAS | H8 | 108.4° | 110.0° |
| CAS | CAQ | CAO | 120.8° | 120.4° |
| CAS | CAQ | OAR | 119.0° | 119.8° |
| CAQ | CAS | H7 | 108.4° | 109.0° |
| CAQ | CAS | H8 | 108.5° | 110.0° |
| CAM | CAO | OAP | 106.3° | 110.3° |
| CAM | CAO | CAQ | 118.9° | 109.0° |
| CAO | CAM | CAL | 114.9° | 110.8° |
| CAM | CAO | H9 | 105.9° | 109.3° |
| CAO | CAM | H11 | 108.7° | 109.4° |
| OAP | CAO | CAQ | 110.7° | 109.7° |
| OAP | CAO | H9 | 107.3° | 109.4° |
| CAO | OAP | H10 | 109.5° | 114.0° |
| CAO | CAQ | OAR | 119.3° | 119.9° |
| CAQ | CAO | H9 | 107.0° | 109.1° |
| CAM | CAL | CAK | 98.9° | 109.7° |
| CAL | CAM | H11 | 108.9° | 109.4° |
| CAM | CAL | H13 | 112.0° | 109.2° |
| CAM | CAL | H14 | 112.0° | 110.5° |
| CAT | CAU | CAW | 109.9° | 109.8° |
| CAT | CAU | CAV | 112.9° | 109.4° |
| CAT | CAU | H4 | 106.0° | 109.6° |
| CAU | CAT | H5 | 106.2° | 109.6° |
| CAU | CAT | H6 | 106.2° | 109.3° |
| CAL | CAK | CAJ | 118.5° | 119.4° |
| CAK | CAL | H13 | 112.1° | 108.9° |
| CAK | CAL | H14 | 112.1° | 109.7° |
| CAL | CAK | H15 | 120.8° | 119.7° |
| CAK | CAJ | CAH | 124.8° | 123.1° |
| CAJ | CAK | H15 | 120.7° | 120.8° |
| CAK | CAJ | H16 | 117.6° | 118.1° |
| CAC | NAB | CAA | 123.8° | 120.0° |
| NAB | CAC | CAD | 124.2° | 119.8° |
| NAB | CAC | CAI | 117.6° | 119.8° |
| CAC | NAB | H18 | 105.8° | 119.9° |
| CAA | NAB | H18 | 105.8° | 120.1° |
| NAB | CAA | H19 | 109.5° | 109.4° |
| NAB | CAA | H20 | 109.5° | 109.5° |
| NAB | CAA | H21 | 109.5° | 109.5° |
| CAC | CAD | CAE | 119.7° | 120.4° |
| CAD | CAC | CAI | 118.1° | 120.4° |
| CAC | CAD | H22 | 120.2° | 119.8° |
| CAD | CAE | OAF | 120.4° | 119.9° |
| CAD | CAE | CAG | 123.5° | 119.8° |
| CAE | CAD | H22 | 120.1° | 119.8° |
| CAC | CAI | CAH | 121.9° | 120.0° |
| CAC | CAI | H17 | 119.1° | 119.7° |
| OAF | CAE | CAG | 116.0° | 120.3° |
| CAE | OAF | H23 | 109.5° | 114.0° |
| CAE | CAG | CAH | 117.7° | 119.5° |
| CAE | CAG | CAZ | 116.6° | 121.0° |
| CAI | CAH | CAG | 119.1° | 119.7° |
| CAI | CAH | CAJ | 119.7° | 121.4° |
| CAH | CAI | H17 | 119.1° | 120.3° |
| CAG | CAH | CAJ | 121.2° | 118.9° |
| CAH | CAG | CAZ | 125.7° | 119.5° |
| CAH | CAJ | H16 | 117.6° | 118.7° |
| CAG | CAZ | OBA | 122.4° | 118.7° |
| CAG | CAZ | OAY | 115.8° | 123.1° |
| OBA | CAZ | OAY | 121.7° | 118.2° |
| CAZ | OAY | CAW | 118.1° | 116.3° |
| CAW | CAU | CAV | 113.6° | 109.1° |
| CAU | CAW | OAY | 107.3° | 109.6° |
| CAU | CAW | CAX | 112.1° | 109.4° |
| CAW | CAU | H4 | 107.0° | 109.6° |
| CAU | CAW | H24 | 110.4° | 109.5° |
| CAU | CAV | H1 | 109.5° | 109.5° |
| CAU | CAV | H2 | 109.4° | 109.5° |
| CAU | CAV | H3 | 109.5° | 109.5° |
| CAV | CAU | H4 | 106.8° | 109.3° |
| OAY | CAW | CAX | 104.4° | 109.4° |
| OAY | CAW | H24 | 111.9° | 109.5° |
| CAX | CAW | H24 | 110.6° | 109.4° |
| CAW | CAX | H25 | 109.5° | 109.5° |
| CAW | CAX | H26 | 109.5° | 109.5° |
| CAW | CAX | H27 | 109.5° | 109.5° |
| H1 | CAV | H2 | 109.5° | 109.5° |
| H1 | CAV | H3 | 109.5° | 109.5° |
| H2 | CAV | H3 | 109.5° | 109.5° |
| H5 | CAT | H6 | 109.5° | 109.1° |
| H7 | CAS | H8 | 109.5° | 109.1° |
| H13 | CAL | H14 | 109.5° | 108.8° |
| H19 | CAA | H20 | 109.5° | 109.4° |
| H19 | CAA | H21 | 109.5° | 109.5° |
| H20 | CAA | H21 | 109.5° | 109.5° |
| H25 | CAX | H26 | 109.4° | 109.5° |
| H25 | CAX | H27 | 109.4° | 109.5° |
| H26 | CAX | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAM | CAO | CAL | 117.5° | 120.2° |
| OAN | CAM | CAO | H11 | 120.2° | 119.0° |
| OAN | CAM | CAO | OAP | 63.0° | 153.8° |
| OAN | CAM | CAO | CAQ | 171.3° | 85.7° |
| OAN | CAM | CAL | H11 | 117.1° | 119.0° |
| OAN | CAM | CAL | CAK | 84.2° | 130.2° |
| OAN | CAM | CAO | H9 | 50.9° | 33.5° |
| OAN | CAM | CAL | H13 | 34.1° | 10.9° |
| OAN | CAM | CAL | H14 | 157.5° | 108.8° |
| CAT | CAS | CAQ | H7 | 120.6° | 119.4° |
| CAT | CAS | CAQ | H8 | 120.6° | 121.1° |
| CAT | CAS | CAQ | CAO | 104.9° | 124.3° |
| CAS | CAT | CAU | H5 | 121.8° | 120.4° |
| CAS | CAT | CAU | H6 | 121.8° | 120.1° |
| CAT | CAS | CAQ | OAR | 86.1° | 55.8° |
| CAS | CAT | CAU | CAW | 166.9° | 161.8° |
| CAS | CAT | CAU | CAV | 65.1° | 78.6° |
| CAS | CAT | CAU | H4 | 51.5° | 41.3° |
| CAS | CAT | H5 | H6 | 114.2° | 119.6° |
| CAT | CAS | H7 | H8 | 118.1° | 120.2° |
| CAS | CAQ | CAO | CAM | 76.6° | 146.4° |
| CAS | CAQ | CAO | OAP | 159.9° | 25.5° |
| CAS | CAQ | CAO | OAR | 169.0° | 179.9° |
| CAQ | CAS | CAT | CAU | 53.8° | 117.4° |
| CAQ | CAS | CAT | H5 | 175.6° | 3.2° |
| CAQ | CAS | CAT | H6 | 68.0° | 122.6° |
| CAQ | CAS | H7 | H8 | 118.2° | 120.1° |
| CAS | CAQ | CAO | H9 | 43.3° | 94.3° |
| CAM | CAO | OAP | CAQ | 130.5° | 120.1° |
| CAM | CAO | OAP | H9 | 113.0° | 120.3° |
| CAM | CAO | CAQ | H9 | 119.8° | 119.3° |
| CAO | CAM | CAL | H11 | 122.1° | 120.7° |
| CAM | CAO | CAQ | OAR | 114.5° | 33.7° |
| CAO | CAM | CAL | CAK | 155.0° | 109.5° |
| CAM | CAO | OAP | H10 | 126.3° | 180.0° |
| CAO | CAM | OAN | H12 | 180.0° | 180.0° |
| CAO | CAM | CAL | H13 | 86.7° | 131.2° |
| CAO | CAM | CAL | H14 | 36.8° | 11.5° |
| OAP | CAO | CAQ | H9 | 116.6° | 119.8° |
| OAP | CAO | CAM | CAL | 54.5° | 33.6° |
| OAP | CAO | CAQ | OAR | 9.1° | 154.6° |
| OAP | CAO | CAM | H11 | 176.8° | 87.2° |
| CAQ | CAO | CAM | CAL | 71.1° | 154.1° |
| CAO | CAQ | CAS | H7 | 15.7° | 116.3° |
| CAO | CAQ | CAS | H8 | 134.5° | 3.3° |
| CAQ | CAO | OAP | H10 | 4.3° | 59.9° |
| CAQ | CAO | CAM | H11 | 51.1° | 33.3° |
| CAM | CAL | CAK | H13 | 118.3° | 119.5° |
| CAM | CAL | CAK | H14 | 118.2° | 121.5° |
| CAM | CAL | CAK | CAJ | 105.5° | 41.3° |
| CAL | CAM | CAO | H9 | 168.5° | 86.7° |
| CAL | CAM | OAN | H12 | 56.2° | 58.7° |
| CAM | CAL | H13 | H14 | 124.9° | 120.7° |
| CAM | CAL | CAK | H15 | 74.5° | 138.6° |
| CAT | CAU | CAW | CAV | 127.7° | 119.9° |
| CAT | CAU | CAW | H4 | 114.7° | 120.5° |
| CAT | CAU | CAV | H4 | 116.1° | 120.0° |
| CAT | CAU | CAW | OAY | 57.6° | 118.8° |
| CAT | CAU | CAW | CAX | 171.7° | 121.3° |
| CAT | CAU | CAV | H1 | 180.0° | 179.8° |
| CAT | CAU | CAV | H2 | 60.0° | 59.9° |
| CAT | CAU | CAV | H3 | 60.0° | 60.1° |
| CAU | CAT | H5 | H6 | 114.3° | 119.6° |
| CAU | CAT | CAS | H7 | 174.4° | 123.3° |
| CAU | CAT | CAS | H8 | 66.8° | 3.7° |
| CAT | CAU | CAW | H24 | 64.5° | 1.4° |
| OAR | CAQ | CAS | H7 | 153.3° | 63.6° |
| OAR | CAQ | CAS | H8 | 34.4° | 176.9° |
| OAR | CAQ | CAO | H9 | 125.7° | 85.6° |
| CAL | CAK | CAJ | H15 | 180.0° | 179.9° |
| CAL | CAK | CAJ | CAH | 178.6° | 178.2° |
| CAK | CAL | CAM | H11 | 32.9° | 11.2° |
| CAK | CAL | H13 | H14 | 125.0° | 119.6° |
| CAL | CAK | CAJ | H16 | 1.4° | 0.3° |
| CAK | CAJ | CAH | CAI | 32.2° | 5.5° |
| CAK | CAJ | CAH | CAG | 147.5° | 175.7° |
| CAK | CAJ | CAH | H16 | 180.0° | 178.5° |
| CAJ | CAK | CAL | H13 | 136.2° | 160.7° |
| CAJ | CAK | CAL | H14 | 12.7° | 80.2° |
| CAC | NAB | CAA | H18 | 122.0° | 179.9° |
| NAB | CAC | CAD | CAI | 177.8° | 179.6° |
| NAB | CAC | CAD | CAE | 178.6° | 178.1° |
| NAB | CAC | CAI | CAH | 179.4° | 179.5° |
| NAB | CAC | CAI | H17 | 0.6° | 0.9° |
| CAC | NAB | CAA | H19 | 180.0° | 180.0° |
| CAC | NAB | CAA | H20 | 60.0° | 60.0° |
| CAC | NAB | CAA | H21 | 60.0° | 60.0° |
| NAB | CAC | CAD | H22 | 1.4° | 1.9° |
| CAA | NAB | CAC | CAD | 19.2° | 0.4° |
| CAA | NAB | CAC | CAI | 163.0° | 180.0° |
| NAB | CAA | H19 | H20 | 120.0° | 120.0° |
| NAB | CAA | H19 | H21 | 120.0° | 120.0° |
| NAB | CAA | H20 | H21 | 120.0° | 120.0° |
| CAC | CAD | CAE | H22 | 180.0° | 180.0° |
| CAC | CAD | CAE | OAF | 177.9° | 179.7° |
| CAC | CAD | CAE | CAG | 2.3° | 0.4° |
| CAD | CAC | CAI | CAH | 2.7° | 0.9° |
| CAD | CAC | CAI | H17 | 177.3° | 179.5° |
| CAD | CAC | NAB | H18 | 102.7° | 179.7° |
| CAE | CAD | CAC | CAI | 0.8° | 1.5° |
| CAD | CAE | OAF | CAG | 175.9° | 179.9° |
| CAD | CAE | CAG | CAH | 3.4° | 3.0° |
| CAD | CAE | CAG | CAZ | 177.8° | 174.4° |
| CAD | CAE | OAF | H23 | 179.2° | 90.0° |
| CAC | CAI | CAH | H17 | 180.0° | 178.6° |
| CAC | CAI | CAH | CAG | 1.6° | 4.2° |
| CAC | CAI | CAH | CAJ | 178.8° | 174.5° |
| CAI | CAC | NAB | H18 | 75.0° | 0.1° |
| CAI | CAC | CAD | H22 | 179.2° | 178.5° |
| OAF | CAE | CAG | CAH | 179.2° | 177.0° |
| OAF | CAE | CAG | CAZ | 2.0° | 5.7° |
| OAF | CAE | CAD | H22 | 2.1° | 0.3° |
| CAE | CAG | CAH | CAI | 1.5° | 5.3° |
| CAE | CAG | CAH | CAZ | 178.6° | 177.4° |
| CAE | CAG | CAH | CAJ | 178.2° | 173.5° |
| CAE | CAG | CAZ | OBA | 2.4° | 147.0° |
| CAE | CAG | CAZ | OAY | 174.9° | 30.5° |
| CAG | CAE | CAD | H22 | 177.7° | 179.6° |
| CAG | CAE | OAF | H23 | 3.2° | 89.9° |
| CAI | CAH | CAG | CAJ | 179.7° | 178.8° |
| CAI | CAH | CAG | CAZ | 179.9° | 172.1° |
| CAI | CAH | CAJ | H16 | 147.8° | 173.0° |
| CAH | CAG | CAZ | OBA | 176.2° | 30.4° |
| CAH | CAG | CAZ | OAY | 6.4° | 152.1° |
| CAG | CAH | CAJ | H16 | 32.5° | 5.8° |
| CAG | CAH | CAI | H17 | 178.4° | 177.1° |
| CAJ | CAH | CAG | CAZ | 0.4° | 9.1° |
| CAH | CAJ | CAK | H15 | 1.4° | 1.9° |
| CAJ | CAH | CAI | H17 | 1.3° | 4.1° |
| CAG | CAZ | OBA | OAY | 177.2° | 177.6° |
| CAG | CAZ | OAY | CAW | 170.9° | 179.6° |
| OBA | CAZ | OAY | CAW | 6.5° | 2.9° |
| CAZ | OAY | CAW | CAU | 155.0° | 62.6° |
| CAZ | OAY | CAW | CAX | 85.9° | 177.4° |
| CAZ | OAY | CAW | H24 | 33.8° | 57.6° |
| CAW | CAU | CAV | H4 | 117.8° | 119.9° |
| CAU | CAW | OAY | CAX | 119.1° | 119.9° |
| CAU | CAW | OAY | H24 | 121.2° | 120.2° |
| CAU | CAW | CAX | H24 | 123.6° | 120.0° |
| CAW | CAU | CAV | H1 | 53.9° | 60.0° |
| CAW | CAU | CAV | H2 | 173.9° | 180.0° |
| CAW | CAU | CAV | H3 | 66.1° | 60.0° |
| CAW | CAU | CAT | H5 | 71.4° | 41.3° |
| CAW | CAU | CAT | H6 | 45.1° | 78.2° |
| CAU | CAW | CAX | H25 | 180.0° | 60.0° |
| CAU | CAW | CAX | H26 | 60.0° | 180.0° |
| CAU | CAW | CAX | H27 | 60.0° | 60.0° |
| CAV | CAU | CAW | OAY | 174.7° | 121.4° |
| CAV | CAU | CAW | CAX | 60.6° | 1.5° |
| CAU | CAV | H1 | H2 | 120.0° | 120.0° |
| CAU | CAV | H1 | H3 | 120.0° | 120.0° |
| CAU | CAV | H2 | H3 | 120.0° | 120.0° |
| CAV | CAU | CAT | H5 | 56.7° | 161.0° |
| CAV | CAU | CAT | H6 | 173.2° | 41.5° |
| CAV | CAU | CAW | H24 | 63.1° | 118.4° |
| OAY | CAW | CAX | H24 | 120.5° | 120.0° |
| OAY | CAW | CAU | H4 | 57.1° | 1.7° |
| OAY | CAW | CAX | H25 | 64.2° | 179.9° |
| OAY | CAW | CAX | H26 | 55.8° | 59.9° |
| OAY | CAW | CAX | H27 | 175.9° | 60.1° |
| CAX | CAW | CAU | H4 | 57.0° | 118.2° |
| CAW | CAX | H25 | H26 | 120.0° | 120.0° |
| CAW | CAX | H25 | H27 | 120.0° | 120.0° |
| CAW | CAX | H26 | H27 | 120.0° | 120.0° |
| H1 | CAV | H2 | H3 | 120.0° | 120.0° |
| H1 | CAV | CAU | H4 | 63.9° | 59.8° |
| H2 | CAV | CAU | H4 | 56.2° | 60.2° |
| H3 | CAV | CAU | H4 | 176.1° | 179.9° |
| H4 | CAU | CAT | H5 | 173.3° | 79.1° |
| H4 | CAU | CAT | H6 | 70.2° | 161.4° |
| H4 | CAU | CAW | H24 | 179.2° | 121.9° |
| H5 | CAT | CAS | H7 | 63.8° | 116.2° |
| H5 | CAT | CAS | H8 | 55.0° | 124.2° |
| H6 | CAT | CAS | H7 | 52.6° | 3.2° |
| H6 | CAT | CAS | H8 | 171.4° | 116.3° |
| H9 | CAO | OAP | H10 | 120.7° | 59.7° |
| H9 | CAO | CAM | H11 | 69.3° | 152.5° |
| H11 | CAM | OAN | H12 | 60.4° | 60.7° |
| H11 | CAM | CAL | H13 | 151.2° | 108.1° |
| H11 | CAM | CAL | H14 | 85.4° | 132.2° |
| H13 | CAL | CAK | H15 | 43.8° | 19.2° |
| H14 | CAL | CAK | H15 | 167.3° | 99.9° |
| H15 | CAK | CAJ | H16 | 178.6° | 179.6° |
| H18 | NAB | CAA | H19 | 58.0° | 0.0° |
| H18 | NAB | CAA | H20 | 178.0° | 119.9° |
| H18 | NAB | CAA | H21 | 61.9° | 120.1° |
| H19 | CAA | H20 | H21 | 120.0° | 120.0° |
| H24 | CAW | CAX | H25 | 56.4° | 59.9° |
| H24 | CAW | CAX | H26 | 176.4° | 60.1° |
| H24 | CAW | CAX | H27 | 63.6° | 180.0° |
| H25 | CAX | H26 | H27 | 120.0° | 120.0° |
