E9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAH | CAC | sing | 1.38Å | 1.34Å | |
| CAC | NAD | doub | 1.31Å | 1.35Å | |
| CAC | NAB | sing | 1.34Å | 1.33Å | |
| NAD | CAE | sing | 1.47Å | 1.46Å | |
| NAB | CAA | doub | 1.32Å | 1.32Å | |
| CAE | CAJ | sing | 1.53Å | 1.52Å | |
| CAE | CAI | sing | 1.53Å | 1.54Å | |
| CAE | NAF | sing | 1.47Å | 1.49Å | |
| CAA | NAF | sing | 1.37Å | 1.34Å | |
| CAA | NAG | sing | 1.37Å | 1.34Å | |
| NAF | OAK | sing | 1.42Å | 1.32Å | |
| OAK | CAL | sing | 1.43Å | 1.45Å | |
| CL | CBB | sing | 1.74Å | 1.68Å | |
| CAR | CAQ | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CBB | sing | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CBB | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.53Å | 1.51Å | |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.37Å | Aromatic |
| CAP | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | NAO | sing | 1.40Å | 1.31Å | |
| CAM | CAN | sing | 1.53Å | 1.52Å | |
| CBA | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.37Å | Aromatic |
| NAO | CAS | sing | 1.46Å | 1.47Å | |
| NAO | CAN | sing | 1.47Å | 1.49Å | |
| CAS | CAT | sing | 1.51Å | 1.40Å | |
| CAT | CAY | doub | 1.38Å | 1.38Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.37Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| NAH | H7 | sing | 0.97Å | 1.00Å | |
| NAH | H8 | sing | 0.97Å | 1.00Å | |
| NAG | H9 | sing | 0.97Å | 1.00Å | |
| NAG | H10 | sing | 0.97Å | 1.00Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAZ | H17 | sing | 1.08Å | 1.08Å | |
| CBA | H18 | sing | 1.08Å | 1.08Å | |
| CAR | H19 | sing | 1.08Å | 1.08Å | |
| CAQ | H20 | sing | 1.08Å | 1.08Å | |
| CAS | H21 | sing | 1.09Å | 1.10Å | |
| CAS | H22 | sing | 1.09Å | 1.10Å | |
| CAU | H23 | sing | 1.08Å | 1.08Å | |
| CAV | H24 | sing | 1.08Å | 1.08Å | |
| CAW | H25 | sing | 1.08Å | 1.08Å | |
| CAX | H26 | sing | 1.08Å | 1.08Å | |
| CAY | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAH | CAC | NAD | 120.4° | 119.0° |
| NAH | CAC | NAB | 120.1° | 119.0° |
| CAC | NAH | H7 | 120.0° | 120.0° |
| CAC | NAH | H8 | 120.0° | 120.0° |
| NAD | CAC | NAB | 119.5° | 122.0° |
| CAC | NAD | CAE | 122.5° | 120.3° |
| CAC | NAB | CAA | 122.4° | 120.9° |
| NAD | CAE | CAJ | 104.9° | 109.7° |
| NAD | CAE | CAI | 112.6° | 109.7° |
| NAD | CAE | NAF | 113.4° | 108.3° |
| NAB | CAA | NAF | 124.2° | 118.6° |
| NAB | CAA | NAG | 115.1° | 120.7° |
| CAJ | CAE | CAI | 103.3° | 109.7° |
| CAJ | CAE | NAF | 108.4° | 109.7° |
| CAE | CAJ | H4 | 109.5° | 109.5° |
| CAE | CAJ | H5 | 109.5° | 109.5° |
| CAE | CAJ | H6 | 109.5° | 109.5° |
| CAI | CAE | NAF | 113.3° | 109.6° |
| CAE | CAI | H1 | 109.5° | 109.4° |
| CAE | CAI | H2 | 109.5° | 109.4° |
| CAE | CAI | H3 | 109.4° | 109.5° |
| CAE | NAF | CAA | 117.8° | 117.6° |
| CAE | NAF | OAK | 110.5° | 121.2° |
| NAF | CAA | NAG | 120.4° | 120.7° |
| CAA | NAF | OAK | 109.4° | 121.3° |
| CAA | NAG | H9 | 120.0° | 120.1° |
| CAA | NAG | H10 | 120.0° | 120.0° |
| NAF | OAK | CAL | 121.6° | 114.0° |
| OAK | CAL | CAM | 108.5° | 109.5° |
| OAK | CAL | H11 | 109.7° | 109.4° |
| OAK | CAL | H12 | 109.7° | 109.4° |
| CL | CBB | CAR | 122.5° | 119.9° |
| CL | CBB | CBA | 115.8° | 119.9° |
| CAQ | CAR | CBB | 119.0° | 120.0° |
| CAR | CAQ | CAP | 119.8° | 119.9° |
| CAQ | CAR | H19 | 120.5° | 120.0° |
| CAR | CAQ | H20 | 120.1° | 120.0° |
| CAR | CBB | CBA | 121.7° | 120.1° |
| CBB | CAR | H19 | 120.5° | 120.0° |
| CAQ | CAP | CAZ | 120.6° | 119.9° |
| CAQ | CAP | NAO | 120.2° | 120.1° |
| CAP | CAQ | H20 | 120.1° | 120.1° |
| CBB | CBA | CAZ | 118.5° | 120.1° |
| CBB | CBA | H18 | 120.7° | 120.0° |
| CAL | CAM | CAN | 114.6° | 109.4° |
| CAM | CAL | H11 | 109.7° | 109.5° |
| CAM | CAL | H12 | 109.7° | 109.5° |
| CAL | CAM | H13 | 108.2° | 109.5° |
| CAL | CAM | H14 | 108.2° | 109.4° |
| CAV | CAU | CAT | 120.9° | 120.0° |
| CAU | CAV | CAW | 121.9° | 120.0° |
| CAV | CAU | H23 | 119.6° | 120.0° |
| CAU | CAV | H24 | 119.1° | 120.0° |
| CAU | CAT | CAS | 124.7° | 120.0° |
| CAU | CAT | CAY | 116.6° | 120.0° |
| CAT | CAU | H23 | 119.6° | 120.0° |
| CAZ | CAP | NAO | 119.1° | 120.1° |
| CAP | CAZ | CBA | 120.4° | 119.9° |
| CAP | CAZ | H17 | 119.8° | 120.0° |
| CAP | NAO | CAS | 125.6° | 120.0° |
| CAP | NAO | CAN | 121.2° | 120.0° |
| CAM | CAN | NAO | 120.8° | 109.5° |
| CAN | CAM | H13 | 108.2° | 109.5° |
| CAN | CAM | H14 | 108.2° | 109.4° |
| CAM | CAN | H15 | 106.6° | 109.5° |
| CAM | CAN | H16 | 106.6° | 109.5° |
| CBA | CAZ | H17 | 119.8° | 120.0° |
| CAZ | CBA | H18 | 120.7° | 119.9° |
| CAV | CAW | CAX | 117.7° | 120.0° |
| CAW | CAV | H24 | 119.1° | 120.0° |
| CAV | CAW | H25 | 121.1° | 120.0° |
| CAS | NAO | CAN | 112.5° | 120.0° |
| NAO | CAS | CAT | 126.1° | 109.5° |
| NAO | CAS | H21 | 105.2° | 109.4° |
| NAO | CAS | H22 | 105.2° | 109.5° |
| NAO | CAN | H15 | 106.6° | 109.5° |
| NAO | CAN | H16 | 106.6° | 109.5° |
| CAS | CAT | CAY | 118.1° | 120.0° |
| CAT | CAS | H21 | 105.2° | 109.4° |
| CAT | CAS | H22 | 105.2° | 109.5° |
| CAT | CAY | CAX | 122.4° | 120.0° |
| CAT | CAY | H27 | 118.8° | 120.0° |
| CAW | CAX | CAY | 120.4° | 119.9° |
| CAX | CAW | H25 | 121.2° | 120.0° |
| CAW | CAX | H26 | 119.8° | 120.0° |
| CAY | CAX | H26 | 119.8° | 120.1° |
| CAX | CAY | H27 | 118.8° | 119.9° |
| H1 | CAI | H2 | 109.5° | 109.5° |
| H1 | CAI | H3 | 109.4° | 109.5° |
| H2 | CAI | H3 | 109.5° | 109.5° |
| H4 | CAJ | H5 | 109.5° | 109.4° |
| H4 | CAJ | H6 | 109.4° | 109.5° |
| H5 | CAJ | H6 | 109.5° | 109.5° |
| H7 | NAH | H8 | 120.0° | 119.9° |
| H9 | NAG | H10 | 120.0° | 119.9° |
| H11 | CAL | H12 | 109.5° | 109.5° |
| H13 | CAM | H14 | 109.4° | 109.5° |
| H15 | CAN | H16 | 109.5° | 109.5° |
| H21 | CAS | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAH | CAC | NAD | NAB | 179.6° | 180.0° |
| NAH | CAC | NAD | CAE | 177.0° | 177.7° |
| NAH | CAC | NAB | CAA | 178.5° | 167.1° |
| CAC | NAH | H7 | H8 | 180.0° | 180.0° |
| NAD | CAC | NAB | CAA | 1.8° | 13.0° |
| CAC | NAD | CAE | CAJ | 113.7° | 92.7° |
| CAC | NAD | CAE | CAI | 134.6° | 146.7° |
| CAC | NAD | CAE | NAF | 4.4° | 27.1° |
| NAD | CAC | NAH | H7 | 0.0° | 0.1° |
| NAD | CAC | NAH | H8 | 180.0° | 180.0° |
| NAB | CAC | NAD | CAE | 2.6° | 2.2° |
| CAC | NAB | CAA | NAF | 4.4° | 1.3° |
| CAC | NAB | CAA | NAG | 178.6° | 178.7° |
| NAB | CAC | NAH | H7 | 179.6° | 180.0° |
| NAB | CAC | NAH | H8 | 0.4° | 0.0° |
| NAD | CAE | CAJ | CAI | 118.1° | 120.6° |
| NAD | CAE | CAJ | NAF | 121.4° | 118.9° |
| NAD | CAE | CAI | NAF | 130.3° | 118.8° |
| NAD | CAE | NAF | CAA | 2.0° | 40.3° |
| NAD | CAE | NAF | OAK | 124.8° | 139.8° |
| NAD | CAE | CAI | H1 | 180.0° | 60.6° |
| NAD | CAE | CAI | H2 | 60.0° | 59.4° |
| NAD | CAE | CAI | H3 | 60.0° | 179.4° |
| NAD | CAE | CAJ | H4 | 180.0° | 179.5° |
| NAD | CAE | CAJ | H5 | 60.0° | 59.5° |
| NAD | CAE | CAJ | H6 | 60.0° | 60.6° |
| NAB | CAA | NAF | CAE | 2.1° | 29.5° |
| NAB | CAA | NAF | NAG | 173.9° | 180.0° |
| NAB | CAA | NAF | OAK | 129.4° | 150.6° |
| NAB | CAA | NAG | H9 | 0.0° | 0.0° |
| NAB | CAA | NAG | H10 | 180.0° | 180.0° |
| CAJ | CAE | CAI | NAF | 117.1° | 120.6° |
| CAJ | CAE | NAF | CAA | 114.0° | 79.5° |
| CAJ | CAE | NAF | OAK | 119.2° | 100.4° |
| CAJ | CAE | CAI | H1 | 67.4° | 60.0° |
| CAJ | CAE | CAI | H2 | 52.6° | 180.0° |
| CAJ | CAE | CAI | H3 | 172.6° | 60.0° |
| CAE | CAJ | H4 | H5 | 120.0° | 120.0° |
| CAE | CAJ | H4 | H6 | 120.0° | 120.0° |
| CAE | CAJ | H5 | H6 | 120.0° | 120.0° |
| CAI | CAE | NAF | CAA | 131.9° | 159.9° |
| CAI | CAE | NAF | OAK | 5.1° | 20.1° |
| CAE | CAI | H1 | H2 | 120.0° | 119.9° |
| CAE | CAI | H1 | H3 | 120.0° | 120.0° |
| CAE | CAI | H2 | H3 | 120.0° | 120.1° |
| CAI | CAE | CAJ | H4 | 61.9° | 60.0° |
| CAI | CAE | CAJ | H5 | 178.1° | 179.9° |
| CAI | CAE | CAJ | H6 | 58.1° | 60.0° |
| CAE | NAF | CAA | OAK | 127.3° | 179.9° |
| CAE | NAF | CAA | NAG | 176.1° | 150.5° |
| CAE | NAF | OAK | CAL | 110.8° | 90.1° |
| NAF | CAE | CAI | H1 | 49.7° | 179.4° |
| NAF | CAE | CAI | H2 | 169.7° | 59.4° |
| NAF | CAE | CAI | H3 | 70.3° | 60.6° |
| NAF | CAE | CAJ | H4 | 58.6° | 60.6° |
| NAF | CAE | CAJ | H5 | 61.4° | 59.4° |
| NAF | CAE | CAJ | H6 | 178.6° | 179.5° |
| CAA | NAF | OAK | CAL | 117.9° | 90.0° |
| NAF | CAA | NAG | H9 | 174.4° | 180.0° |
| NAF | CAA | NAG | H10 | 5.5° | 0.0° |
| NAG | CAA | NAF | OAK | 56.6° | 29.4° |
| CAA | NAG | H9 | H10 | 180.0° | 180.0° |
| NAF | OAK | CAL | CAM | 173.1° | 180.0° |
| NAF | OAK | CAL | H11 | 53.2° | 60.0° |
| NAF | OAK | CAL | H12 | 67.1° | 60.0° |
| OAK | CAL | CAM | H11 | 119.8° | 120.0° |
| OAK | CAL | CAM | H12 | 119.8° | 119.9° |
| OAK | CAL | CAM | CAN | 132.4° | 180.0° |
| OAK | CAL | H11 | H12 | 120.5° | 119.9° |
| OAK | CAL | CAM | H13 | 11.6° | 60.0° |
| OAK | CAL | CAM | H14 | 106.9° | 60.1° |
| CL | CBB | CAR | CAQ | 179.3° | 179.7° |
| CL | CBB | CAR | CBA | 178.2° | 180.0° |
| CL | CBB | CBA | CAZ | 178.9° | 180.0° |
| CL | CBB | CBA | H18 | 1.1° | 0.0° |
| CL | CBB | CAR | H19 | 0.7° | 0.3° |
| CAQ | CAR | CBB | H19 | 180.0° | 179.5° |
| CAR | CAQ | CAP | H20 | 180.0° | 179.5° |
| CAQ | CAR | CBB | CBA | 1.1° | 0.3° |
| CAR | CAQ | CAP | CAZ | 2.2° | 0.5° |
| CAR | CAQ | CAP | NAO | 178.5° | 179.7° |
| CBB | CAR | CAQ | CAP | 1.9° | 0.5° |
| CAR | CBB | CBA | CAZ | 0.6° | 0.0° |
| CAR | CBB | CBA | H18 | 179.4° | 179.9° |
| CBB | CAR | CAQ | H20 | 178.1° | 179.9° |
| CAQ | CAP | CAZ | NAO | 176.3° | 179.7° |
| CAQ | CAP | CAZ | CBA | 1.6° | 0.3° |
| CAQ | CAP | NAO | CAS | 146.5° | 179.7° |
| CAQ | CAP | NAO | CAN | 44.1° | 0.3° |
| CAQ | CAP | CAZ | H17 | 178.4° | 179.8° |
| CAP | CAQ | CAR | H19 | 178.1° | 180.0° |
| CBB | CBA | CAZ | CAP | 0.8° | 0.0° |
| CBB | CBA | CAZ | H18 | 180.0° | 179.9° |
| CBB | CBA | CAZ | H17 | 179.2° | 180.0° |
| CBA | CBB | CAR | H19 | 178.9° | 179.7° |
| CAL | CAM | CAN | H13 | 120.8° | 120.0° |
| CAL | CAM | CAN | H14 | 120.7° | 119.9° |
| CAL | CAM | CAN | NAO | 66.0° | 180.0° |
| CAM | CAL | H11 | H12 | 120.4° | 120.1° |
| CAL | CAM | H13 | H14 | 117.6° | 120.0° |
| CAL | CAM | CAN | H15 | 172.4° | 60.0° |
| CAL | CAM | CAN | H16 | 55.6° | 60.0° |
| CAV | CAU | CAT | H23 | 180.0° | 180.0° |
| CAU | CAV | CAW | H24 | 180.0° | 180.0° |
| CAV | CAU | CAT | CAS | 175.6° | 180.0° |
| CAV | CAU | CAT | CAY | 4.2° | 0.3° |
| CAU | CAV | CAW | CAX | 1.0° | 0.0° |
| CAU | CAV | CAW | H25 | 179.0° | 180.0° |
| CAT | CAU | CAV | CAW | 1.7° | 0.0° |
| CAU | CAT | CAS | NAO | 56.8° | 89.8° |
| CAU | CAT | CAS | CAY | 171.3° | 179.7° |
| CAU | CAT | CAY | CAX | 4.2° | 0.5° |
| CAU | CAT | CAS | H21 | 179.0° | 150.3° |
| CAU | CAT | CAS | H22 | 65.4° | 30.3° |
| CAT | CAU | CAV | H24 | 178.3° | 180.0° |
| CAU | CAT | CAY | H27 | 175.8° | 179.8° |
| CAP | CAZ | CBA | H17 | 180.0° | 180.0° |
| CAZ | CAP | NAO | CAS | 37.2° | 0.0° |
| CAZ | CAP | NAO | CAN | 132.3° | 180.0° |
| CAP | CAZ | CBA | H18 | 179.2° | 180.0° |
| CAZ | CAP | CAQ | H20 | 177.8° | 179.9° |
| CAP | NAO | CAN | CAM | 87.2° | 90.0° |
| NAO | CAP | CAZ | CBA | 177.9° | 180.0° |
| CAP | NAO | CAS | CAN | 170.2° | 180.0° |
| CAP | NAO | CAS | CAT | 16.4° | 90.0° |
| CAP | NAO | CAN | H15 | 34.5° | 150.0° |
| CAP | NAO | CAN | H16 | 151.3° | 30.0° |
| NAO | CAP | CAZ | H17 | 2.1° | 0.1° |
| NAO | CAP | CAQ | H20 | 1.5° | 0.2° |
| CAP | NAO | CAS | H21 | 138.7° | 29.9° |
| CAP | NAO | CAS | H22 | 105.8° | 150.0° |
| CAM | CAN | NAO | CAS | 102.1° | 90.0° |
| CAM | CAN | NAO | H15 | 121.6° | 120.0° |
| CAM | CAN | NAO | H16 | 121.6° | 120.0° |
| CAN | CAM | CAL | H11 | 107.8° | 60.0° |
| CAN | CAM | CAL | H12 | 12.5° | 60.1° |
| CAN | CAM | H13 | H14 | 117.7° | 120.0° |
| CAM | CAN | H15 | H16 | 114.9° | 120.0° |
| CAV | CAW | CAX | H25 | 180.0° | 180.0° |
| CAV | CAW | CAX | CAY | 1.0° | 0.2° |
| CAW | CAV | CAU | H23 | 178.3° | 180.0° |
| CAV | CAW | CAX | H26 | 179.0° | 180.0° |
| NAO | CAS | CAT | H21 | 122.2° | 119.9° |
| NAO | CAS | CAT | H22 | 122.2° | 120.1° |
| NAO | CAS | CAT | CAY | 131.9° | 89.9° |
| CAS | NAO | CAN | H15 | 136.3° | 30.0° |
| CAS | NAO | CAN | H16 | 19.4° | 150.0° |
| NAO | CAS | H21 | H22 | 112.5° | 120.0° |
| CAN | NAO | CAS | CAT | 153.8° | 90.0° |
| NAO | CAN | CAM | H13 | 54.7° | 60.0° |
| NAO | CAN | CAM | H14 | 173.3° | 60.1° |
| NAO | CAN | H15 | H16 | 114.9° | 120.0° |
| CAN | NAO | CAS | H21 | 31.6° | 150.1° |
| CAN | NAO | CAS | H22 | 84.0° | 30.0° |
| CAS | CAT | CAY | CAX | 176.2° | 179.8° |
| CAT | CAS | H21 | H22 | 112.6° | 120.0° |
| CAS | CAT | CAU | H23 | 4.5° | 0.0° |
| CAS | CAT | CAY | H27 | 3.8° | 0.1° |
| CAT | CAY | CAX | CAW | 1.7° | 0.5° |
| CAT | CAY | CAX | H27 | 180.0° | 179.7° |
| CAY | CAT | CAS | H21 | 9.7° | 30.0° |
| CAY | CAT | CAS | H22 | 105.9° | 150.0° |
| CAY | CAT | CAU | H23 | 175.8° | 179.7° |
| CAT | CAY | CAX | H26 | 178.3° | 179.7° |
| CAW | CAX | CAY | H26 | 180.0° | 179.8° |
| CAX | CAW | CAV | H24 | 179.1° | 180.0° |
| CAW | CAX | CAY | H27 | 178.3° | 179.8° |
| CAY | CAX | CAW | H25 | 179.1° | 179.8° |
| H1 | CAI | H2 | H3 | 120.0° | 120.0° |
| H4 | CAJ | H5 | H6 | 119.9° | 120.0° |
| H11 | CAL | CAM | H13 | 131.4° | 180.0° |
| H11 | CAL | CAM | H14 | 13.0° | 59.9° |
| H12 | CAL | CAM | H13 | 108.3° | 60.0° |
| H12 | CAL | CAM | H14 | 133.3° | 180.0° |
| H13 | CAM | CAN | H15 | 66.8° | 180.0° |
| H13 | CAM | CAN | H16 | 176.3° | 60.0° |
| H14 | CAM | CAN | H15 | 51.7° | 59.9° |
| H14 | CAM | CAN | H16 | 65.2° | 179.9° |
| H17 | CAZ | CBA | H18 | 0.8° | 0.0° |
| H19 | CAR | CAQ | H20 | 1.9° | 0.5° |
| H23 | CAU | CAV | H24 | 1.7° | 0.1° |
| H24 | CAV | CAW | H25 | 0.9° | 0.0° |
| H25 | CAW | CAX | H26 | 1.0° | 0.0° |
| H26 | CAX | CAY | H27 | 1.7° | 0.1° |
