CZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLAA | CAX | sing | 1.74Å | 1.71Å | |
| CAJ | CAH | sing | 1.53Å | 1.53Å | |
| CAJ | NAF | sing | 1.47Å | 1.46Å | |
| CAX | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | NAE | sing | 1.47Å | 1.44Å | |
| CAL | NAF | sing | 1.47Å | 1.49Å | |
| CAL | CAO | sing | 1.53Å | 1.51Å | |
| NAF | CAI | sing | 1.47Å | 1.48Å | |
| CAU | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| OAB | CAO | sing | 1.43Å | 1.44Å | |
| OAB | CAZ | sing | 1.43Å | 1.45Å | |
| CAQ | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAK | sing | 1.51Å | 1.52Å | |
| NAE | CAK | sing | 1.47Å | 1.55Å | |
| NAE | CAG | sing | 1.47Å | 1.43Å | |
| CAZ | CBA | sing | 1.51Å | 1.52Å | |
| CAK | CAN | sing | 1.51Å | 1.53Å | |
| CAI | CAG | sing | 1.53Å | 1.50Å | |
| OAD | CBA | doub | 1.21Å | 1.25Å | |
| CBA | OAC | sing | 1.34Å | 1.25Å | |
| CAN | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | CAY | sing | 1.38Å | 1.39Å | Aromatic |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAZ | H2 | sing | 1.09Å | 1.10Å | |
| CAZ | H3 | sing | 1.09Å | 1.10Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAG | H15 | sing | 1.09Å | 1.10Å | |
| CAG | H16 | sing | 1.09Å | 1.10Å | |
| CAK | H18 | sing | 1.09Å | 1.10Å | |
| CAP | H19 | sing | 1.08Å | 1.08Å | |
| CAT | H20 | sing | 1.08Å | 1.08Å | |
| CAU | H21 | sing | 1.08Å | 1.08Å | |
| CAQ | H22 | sing | 1.08Å | 1.08Å | |
| CAR | H23 | sing | 1.08Å | 1.08Å | |
| CAV | H24 | sing | 1.08Å | 1.08Å | |
| CAY | H25 | sing | 1.08Å | 1.08Å | |
| CAW | H26 | sing | 1.08Å | 1.08Å | |
| CAS | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLAA | CAX | CAT | 121.8° | 120.0° |
| CLAA | CAX | CAU | 118.0° | 120.0° |
| CAH | CAJ | NAF | 110.7° | 109.4° |
| CAJ | CAH | NAE | 106.2° | 109.3° |
| CAH | CAJ | H9 | 109.2° | 109.5° |
| CAH | CAJ | H10 | 109.2° | 109.5° |
| CAJ | CAH | H11 | 110.3° | 109.5° |
| CAJ | CAH | H12 | 110.3° | 109.5° |
| CAJ | NAF | CAL | 110.7° | 111.0° |
| CAJ | NAF | CAI | 108.4° | 110.9° |
| NAF | CAJ | H9 | 109.2° | 109.5° |
| NAF | CAJ | H10 | 109.2° | 109.4° |
| CAT | CAX | CAU | 120.2° | 119.9° |
| CAX | CAT | CAP | 119.9° | 120.0° |
| CAX | CAT | H20 | 120.0° | 120.0° |
| CAX | CAU | CAQ | 119.7° | 120.0° |
| CAX | CAU | H21 | 120.1° | 120.0° |
| CAT | CAP | CAM | 119.8° | 120.0° |
| CAT | CAP | H19 | 120.1° | 120.0° |
| CAP | CAT | H20 | 120.0° | 120.0° |
| CAH | NAE | CAK | 107.4° | 111.0° |
| CAH | NAE | CAG | 109.7° | 110.9° |
| NAE | CAH | H11 | 110.3° | 109.5° |
| NAE | CAH | H12 | 110.3° | 109.5° |
| NAF | CAL | CAO | 111.0° | 109.5° |
| CAL | NAF | CAI | 110.7° | 111.0° |
| NAF | CAL | H6 | 109.1° | 109.5° |
| NAF | CAL | H7 | 109.1° | 109.5° |
| CAL | CAO | OAB | 108.8° | 109.5° |
| CAL | CAO | H4 | 109.6° | 109.5° |
| CAL | CAO | H5 | 109.6° | 109.5° |
| CAO | CAL | H6 | 109.1° | 109.5° |
| CAO | CAL | H7 | 109.1° | 109.5° |
| NAF | CAI | CAG | 114.1° | 109.4° |
| NAF | CAI | H13 | 108.3° | 109.5° |
| NAF | CAI | H14 | 108.3° | 109.5° |
| CAU | CAQ | CAM | 120.8° | 120.0° |
| CAQ | CAU | H21 | 120.1° | 120.0° |
| CAU | CAQ | H22 | 119.6° | 120.0° |
| CAP | CAM | CAQ | 119.5° | 120.0° |
| CAP | CAM | CAK | 120.1° | 120.0° |
| CAM | CAP | H19 | 120.1° | 120.0° |
| CAO | OAB | CAZ | 118.6° | 114.0° |
| OAB | CAO | H4 | 109.6° | 109.5° |
| OAB | CAO | H5 | 109.7° | 109.5° |
| OAB | CAZ | CBA | 107.1° | 109.5° |
| OAB | CAZ | H2 | 110.1° | 109.5° |
| OAB | CAZ | H3 | 110.0° | 109.5° |
| CAQ | CAM | CAK | 120.4° | 120.0° |
| CAM | CAQ | H22 | 119.6° | 120.0° |
| CAM | CAK | NAE | 114.3° | 109.5° |
| CAM | CAK | CAN | 108.2° | 109.4° |
| CAM | CAK | H18 | 106.9° | 109.5° |
| CAK | NAE | CAG | 107.9° | 111.0° |
| NAE | CAK | CAN | 113.5° | 109.5° |
| NAE | CAK | H18 | 106.6° | 109.5° |
| NAE | CAG | CAI | 109.6° | 109.3° |
| NAE | CAG | H15 | 109.4° | 109.5° |
| NAE | CAG | H16 | 109.4° | 109.5° |
| CAZ | CBA | OAD | 118.0° | 120.0° |
| CAZ | CBA | OAC | 116.6° | 120.0° |
| CBA | CAZ | H2 | 110.1° | 109.4° |
| CBA | CAZ | H3 | 110.1° | 109.5° |
| CAK | CAN | CAS | 120.3° | 120.0° |
| CAK | CAN | CAR | 121.4° | 120.0° |
| CAN | CAK | H18 | 106.8° | 109.5° |
| CAG | CAI | H13 | 108.3° | 109.5° |
| CAG | CAI | H14 | 108.3° | 109.5° |
| CAI | CAG | H15 | 109.5° | 109.5° |
| CAI | CAG | H16 | 109.4° | 109.5° |
| OAD | CBA | OAC | 125.4° | 120.0° |
| CBA | OAC | H1 | 109.5° | 117.0° |
| CAS | CAN | CAR | 118.3° | 120.0° |
| CAN | CAS | CAW | 120.2° | 120.0° |
| CAN | CAS | H27 | 119.9° | 120.0° |
| CAN | CAR | CAV | 121.3° | 120.0° |
| CAN | CAR | H23 | 119.3° | 120.0° |
| CAS | CAW | CAY | 121.2° | 120.0° |
| CAS | CAW | H26 | 119.4° | 120.0° |
| CAW | CAS | H27 | 119.9° | 120.0° |
| CAR | CAV | CAY | 120.0° | 120.0° |
| CAV | CAR | H23 | 119.3° | 120.0° |
| CAR | CAV | H24 | 120.0° | 120.0° |
| CAW | CAY | CAV | 118.9° | 120.0° |
| CAW | CAY | H25 | 120.6° | 120.0° |
| CAY | CAW | H26 | 119.4° | 120.0° |
| CAY | CAV | H24 | 120.0° | 120.0° |
| CAV | CAY | H25 | 120.5° | 120.0° |
| H2 | CAZ | H3 | 109.5° | 109.4° |
| H4 | CAO | H5 | 109.5° | 109.5° |
| H6 | CAL | H7 | 109.5° | 109.4° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
| H11 | CAH | H12 | 109.5° | 109.5° |
| H13 | CAI | H14 | 109.5° | 109.5° |
| H15 | CAG | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLAA | CAX | CAT | CAU | 179.9° | 180.0° |
| CLAA | CAX | CAT | CAP | 179.9° | 180.0° |
| CLAA | CAX | CAU | CAQ | 179.7° | 179.7° |
| CLAA | CAX | CAT | H20 | 0.1° | 0.0° |
| CLAA | CAX | CAU | H21 | 0.2° | 0.0° |
| CAH | CAJ | NAF | H9 | 120.2° | 120.0° |
| CAH | CAJ | NAF | H10 | 120.2° | 120.0° |
| CAJ | CAH | NAE | H11 | 119.5° | 119.9° |
| CAJ | CAH | NAE | H12 | 119.5° | 119.9° |
| CAH | CAJ | NAF | CAL | 177.7° | 176.8° |
| CAH | CAJ | NAF | CAI | 56.1° | 59.3° |
| CAJ | CAH | NAE | CAK | 176.9° | 176.8° |
| CAJ | CAH | NAE | CAG | 66.1° | 59.3° |
| CAH | CAJ | H9 | H10 | 119.4° | 120.1° |
| CAJ | CAH | H11 | H12 | 121.5° | 120.0° |
| NAF | CAJ | CAH | NAE | 64.5° | 58.4° |
| CAJ | NAF | CAL | CAI | 120.2° | 123.8° |
| CAJ | NAF | CAL | CAO | 178.1° | 160.4° |
| CAJ | NAF | CAI | CAG | 51.1° | 59.3° |
| CAJ | NAF | CAL | H6 | 57.9° | 79.5° |
| CAJ | NAF | CAL | H7 | 61.7° | 40.4° |
| NAF | CAJ | H9 | H10 | 119.5° | 120.0° |
| NAF | CAJ | CAH | H11 | 176.0° | 178.4° |
| NAF | CAJ | CAH | H12 | 55.0° | 61.6° |
| CAJ | NAF | CAI | H13 | 171.8° | 179.3° |
| CAJ | NAF | CAI | H14 | 69.6° | 60.6° |
| CAX | CAT | CAP | H20 | 180.0° | 180.0° |
| CAT | CAX | CAU | CAQ | 0.1° | 0.3° |
| CAX | CAT | CAP | CAM | 0.0° | 0.1° |
| CAX | CAT | CAP | H19 | 180.0° | 179.9° |
| CAT | CAX | CAU | H21 | 179.9° | 180.0° |
| CAU | CAX | CAT | CAP | 0.0° | 0.0° |
| CAX | CAU | CAQ | H21 | 180.0° | 179.7° |
| CAX | CAU | CAQ | CAM | 0.4° | 0.6° |
| CAU | CAX | CAT | H20 | 180.0° | 180.0° |
| CAX | CAU | CAQ | H22 | 179.6° | 180.0° |
| CAT | CAP | CAM | H19 | 180.0° | 179.9° |
| CAT | CAP | CAM | CAQ | 0.3° | 0.4° |
| CAT | CAP | CAM | CAK | 179.2° | 180.0° |
| CAH | NAE | CAK | CAM | 68.7° | 60.0° |
| CAH | NAE | CAK | CAG | 118.1° | 123.8° |
| CAH | NAE | CAK | CAN | 166.4° | 179.9° |
| CAH | NAE | CAG | CAI | 61.2° | 59.3° |
| NAE | CAH | CAJ | H9 | 175.4° | 61.6° |
| NAE | CAH | CAJ | H10 | 55.7° | 178.3° |
| NAE | CAH | H11 | H12 | 121.5° | 120.1° |
| CAH | NAE | CAG | H15 | 178.8° | 60.6° |
| CAH | NAE | CAG | H16 | 58.8° | 179.3° |
| CAH | NAE | CAK | H18 | 49.1° | 60.1° |
| NAF | CAL | CAO | H6 | 120.2° | 120.0° |
| NAF | CAL | CAO | H7 | 120.2° | 120.0° |
| NAF | CAL | CAO | OAB | 169.5° | 65.0° |
| CAL | NAF | CAI | CAG | 172.7° | 176.8° |
| NAF | CAL | CAO | H4 | 49.6° | 55.0° |
| NAF | CAL | CAO | H5 | 70.6° | 175.0° |
| NAF | CAL | H6 | H7 | 119.3° | 120.0° |
| CAL | NAF | CAJ | H9 | 62.1° | 63.2° |
| CAL | NAF | CAJ | H10 | 57.5° | 56.9° |
| CAL | NAF | CAI | H13 | 66.6° | 56.9° |
| CAL | NAF | CAI | H14 | 52.0° | 63.2° |
| CAO | CAL | NAF | CAI | 61.7° | 75.8° |
| CAL | CAO | OAB | H4 | 119.9° | 120.0° |
| CAL | CAO | OAB | H5 | 119.9° | 120.0° |
| CAL | CAO | OAB | CAZ | 147.4° | 180.0° |
| CAL | CAO | H4 | H5 | 120.3° | 120.0° |
| CAO | CAL | H6 | H7 | 119.3° | 120.0° |
| NAF | CAI | CAG | NAE | 53.7° | 58.4° |
| NAF | CAI | CAG | H13 | 120.7° | 120.0° |
| NAF | CAI | CAG | H14 | 120.7° | 120.0° |
| CAI | NAF | CAL | H6 | 178.1° | 44.2° |
| CAI | NAF | CAL | H7 | 58.5° | 164.2° |
| CAI | NAF | CAJ | H9 | 176.2° | 60.7° |
| CAI | NAF | CAJ | H10 | 64.1° | 179.3° |
| NAF | CAI | H13 | H14 | 117.9° | 120.1° |
| NAF | CAI | CAG | H15 | 173.7° | 61.5° |
| NAF | CAI | CAG | H16 | 66.4° | 178.4° |
| CAU | CAQ | CAM | CAP | 0.4° | 0.7° |
| CAU | CAQ | CAM | H22 | 180.0° | 179.4° |
| CAU | CAQ | CAM | CAK | 179.4° | 179.7° |
| CAP | CAM | CAQ | CAK | 179.0° | 179.7° |
| CAP | CAM | CAK | NAE | 131.1° | 140.1° |
| CAP | CAM | CAK | CAN | 101.3° | 100.0° |
| CAP | CAM | CAK | H18 | 13.3° | 20.0° |
| CAM | CAP | CAT | H20 | 180.0° | 179.9° |
| CAP | CAM | CAQ | H22 | 179.6° | 180.0° |
| CAO | OAB | CAZ | CBA | 82.8° | 180.0° |
| CAO | OAB | CAZ | H2 | 36.9° | 60.0° |
| CAO | OAB | CAZ | H3 | 157.6° | 60.0° |
| OAB | CAO | H4 | H5 | 120.3° | 120.0° |
| OAB | CAO | CAL | H6 | 70.3° | 175.0° |
| OAB | CAO | CAL | H7 | 49.3° | 55.0° |
| OAB | CAZ | CBA | H2 | 119.6° | 120.0° |
| OAB | CAZ | CBA | H3 | 119.6° | 120.0° |
| OAB | CAZ | CBA | OAD | 22.9° | 0.0° |
| OAB | CAZ | CBA | OAC | 158.1° | 180.0° |
| OAB | CAZ | H2 | H3 | 121.1° | 120.0° |
| CAZ | OAB | CAO | H4 | 27.5° | 60.0° |
| CAZ | OAB | CAO | H5 | 92.7° | 60.0° |
| CAQ | CAM | CAK | NAE | 50.0° | 40.3° |
| CAQ | CAM | CAK | CAN | 77.6° | 79.7° |
| CAQ | CAM | CAK | H18 | 167.7° | 160.3° |
| CAQ | CAM | CAP | H19 | 179.7° | 179.8° |
| CAM | CAQ | CAU | H21 | 179.7° | 179.7° |
| CAM | CAK | NAE | CAN | 124.9° | 120.0° |
| CAM | CAK | NAE | H18 | 117.9° | 120.0° |
| CAM | CAK | NAE | CAG | 173.1° | 176.2° |
| CAM | CAK | CAN | H18 | 114.8° | 120.0° |
| CAM | CAK | CAN | CAS | 104.8° | 100.0° |
| CAM | CAK | CAN | CAR | 75.6° | 79.7° |
| CAK | CAM | CAP | H19 | 0.8° | 0.1° |
| CAK | CAM | CAQ | H22 | 0.6° | 0.3° |
| NAE | CAK | CAN | H18 | 117.2° | 120.0° |
| CAK | NAE | CAG | CAI | 177.8° | 176.8° |
| NAE | CAK | CAN | CAS | 127.1° | 140.0° |
| NAE | CAK | CAN | CAR | 52.4° | 40.3° |
| CAK | NAE | CAH | H11 | 57.4° | 56.9° |
| CAK | NAE | CAH | H12 | 63.6° | 63.3° |
| CAK | NAE | CAG | H15 | 62.1° | 63.2° |
| CAK | NAE | CAG | H16 | 57.8° | 56.9° |
| CAG | NAE | CAK | CAN | 48.2° | 56.2° |
| NAE | CAG | CAI | H15 | 120.0° | 119.9° |
| NAE | CAG | CAI | H16 | 120.0° | 120.0° |
| CAG | NAE | CAH | H11 | 174.4° | 179.3° |
| CAG | NAE | CAH | H12 | 53.4° | 60.6° |
| NAE | CAG | CAI | H13 | 174.4° | 178.4° |
| NAE | CAG | CAI | H14 | 67.0° | 61.6° |
| NAE | CAG | H15 | H16 | 119.9° | 120.1° |
| CAG | NAE | CAK | H18 | 69.0° | 63.8° |
| CAZ | CBA | OAD | OAC | 178.8° | 180.0° |
| CAZ | CBA | OAC | H1 | 178.9° | 180.0° |
| CBA | CAZ | H2 | H3 | 121.1° | 120.0° |
| CAK | CAN | CAS | CAR | 179.6° | 179.8° |
| CAK | CAN | CAS | CAW | 179.6° | 179.8° |
| CAK | CAN | CAR | CAV | 179.3° | 180.0° |
| CAK | CAN | CAR | H23 | 0.7° | 0.0° |
| CAK | CAN | CAS | H27 | 0.4° | 0.1° |
| CAG | CAI | H13 | H14 | 117.9° | 120.0° |
| CAI | CAG | H15 | H16 | 119.9° | 120.0° |
| OAD | CBA | OAC | H1 | 0.0° | 0.1° |
| OAD | CBA | CAZ | H2 | 142.5° | 120.0° |
| OAD | CBA | CAZ | H3 | 96.7° | 120.0° |
| OAC | CBA | CAZ | H2 | 38.5° | 59.9° |
| OAC | CBA | CAZ | H3 | 82.3° | 60.0° |
| CAN | CAS | CAW | H27 | 180.0° | 179.8° |
| CAS | CAN | CAR | CAV | 0.3° | 0.3° |
| CAN | CAS | CAW | CAY | 0.1° | 0.5° |
| CAS | CAN | CAK | H18 | 10.0° | 19.9° |
| CAS | CAN | CAR | H23 | 179.7° | 179.8° |
| CAN | CAS | CAW | H26 | 179.9° | 179.8° |
| CAR | CAN | CAS | CAW | 0.0° | 0.5° |
| CAN | CAR | CAV | H23 | 180.0° | 179.9° |
| CAN | CAR | CAV | CAY | 0.5° | 0.1° |
| CAR | CAN | CAK | H18 | 169.6° | 160.3° |
| CAN | CAR | CAV | H24 | 179.5° | 180.0° |
| CAR | CAN | CAS | H27 | 180.0° | 179.7° |
| CAS | CAW | CAY | H26 | 180.0° | 179.7° |
| CAS | CAW | CAY | CAV | 0.1° | 0.3° |
| CAS | CAW | CAY | H25 | 179.9° | 179.9° |
| CAR | CAV | CAY | CAW | 0.4° | 0.1° |
| CAR | CAV | CAY | H24 | 180.0° | 180.0° |
| CAR | CAV | CAY | H25 | 179.5° | 180.0° |
| CAW | CAY | CAV | H25 | 180.0° | 179.9° |
| CAW | CAY | CAV | H24 | 179.6° | 180.0° |
| CAY | CAW | CAS | H27 | 179.9° | 179.7° |
| CAY | CAV | CAR | H23 | 179.4° | 180.0° |
| CAV | CAY | CAW | H26 | 179.9° | 180.0° |
| H4 | CAO | CAL | H6 | 169.9° | 65.1° |
| H4 | CAO | CAL | H7 | 70.6° | 175.0° |
| H5 | CAO | CAL | H6 | 49.7° | 55.0° |
| H5 | CAO | CAL | H7 | 169.2° | 65.0° |
| H9 | CAJ | CAH | H11 | 55.9° | 58.4° |
| H9 | CAJ | CAH | H12 | 65.2° | 178.5° |
| H10 | CAJ | CAH | H11 | 63.8° | 61.7° |
| H10 | CAJ | CAH | H12 | 175.2° | 58.4° |
| H13 | CAI | CAG | H15 | 65.6° | 58.4° |
| H13 | CAI | CAG | H16 | 54.3° | 61.7° |
| H14 | CAI | CAG | H15 | 53.0° | 178.5° |
| H14 | CAI | CAG | H16 | 172.9° | 58.4° |
| H19 | CAP | CAT | H20 | 0.0° | 0.1° |
| H21 | CAU | CAQ | H22 | 0.3° | 0.4° |
| H23 | CAR | CAV | H24 | 0.5° | 0.0° |
| H24 | CAV | CAY | H25 | 0.4° | 0.1° |
| H25 | CAY | CAW | H26 | 0.1° | 0.1° |
| H26 | CAW | CAS | H27 | 0.1° | 0.0° |
