ZDR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAT | sing | 1.53Å | 1.54Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN3 | sing | 1.09Å | 1.10Å | |
| CAT | NAC | sing | 1.47Å | 1.41Å | |
| CAT | CAQ | sing | 1.51Å | 1.46Å | |
| CAT | CAM | sing | 1.53Å | 1.48Å | |
| NAC | HAC1 | sing | 1.01Å | 1.00Å | |
| NAC | HAC2 | sing | 1.01Å | 1.00Å | |
| CAQ | OAF | sing | 1.34Å | 1.26Å | |
| CAQ | OAH | doub | 1.21Å | 1.26Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAM | CAJ | sing | 1.53Å | 1.54Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAJ | CAK | sing | 1.53Å | 1.54Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAK | CAS | sing | 1.53Å | 1.53Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAS | NAB | sing | 1.47Å | 1.45Å | |
| CAS | CAP | sing | 1.51Å | 1.51Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| NAB | HAB1 | sing | 1.01Å | 1.00Å | |
| NAB | HAB2 | sing | 1.01Å | 1.00Å | |
| CAP | OAE | sing | 1.34Å | 1.24Å | |
| CAP | OAG | doub | 1.21Å | 1.26Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAN | HAN1 | 109.5° | 109.5° |
| CAT | CAN | HAN2 | 109.5° | 109.5° |
| CAT | CAN | HAN3 | 109.4° | 109.5° |
| CAN | CAT | NAC | 106.6° | 109.5° |
| CAN | CAT | CAQ | 109.3° | 109.5° |
| CAN | CAT | CAM | 107.7° | 109.4° |
| HAN1 | CAN | HAN2 | 109.4° | 109.5° |
| HAN1 | CAN | HAN3 | 109.5° | 109.5° |
| HAN2 | CAN | HAN3 | 109.5° | 109.5° |
| NAC | CAT | CAQ | 111.1° | 109.5° |
| NAC | CAT | CAM | 111.5° | 109.5° |
| CAT | NAC | HAC1 | 109.5° | 111.0° |
| CAT | NAC | HAC2 | 109.5° | 111.0° |
| CAQ | CAT | CAM | 110.5° | 109.5° |
| CAT | CAQ | OAF | 124.4° | 120.0° |
| CAT | CAQ | OAH | 114.7° | 120.0° |
| CAT | CAM | CAJ | 116.0° | 109.5° |
| CAT | CAM | HAM1 | 107.4° | 109.5° |
| CAT | CAM | HAM2 | 105.8° | 109.4° |
| HAC1 | NAC | HAC2 | 109.5° | 111.1° |
| OAF | CAQ | OAH | 120.9° | 120.0° |
| CAQ | OAF | HOAF | 109.5° | 117.0° |
| CAJ | CAM | HAM1 | 107.3° | 109.5° |
| CAJ | CAM | HAM2 | 105.9° | 109.5° |
| CAM | CAJ | CAK | 112.7° | 109.5° |
| CAM | CAJ | HAJ1 | 108.4° | 109.5° |
| CAM | CAJ | HAJ2 | 107.7° | 109.5° |
| HAM1 | CAM | HAM2 | 114.7° | 109.5° |
| CAK | CAJ | HAJ1 | 108.4° | 109.5° |
| CAK | CAJ | HAJ2 | 107.7° | 109.5° |
| CAJ | CAK | CAS | 114.5° | 109.5° |
| CAJ | CAK | HAK1 | 107.9° | 109.5° |
| CAJ | CAK | HAK2 | 106.7° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 112.0° | 109.5° |
| CAS | CAK | HAK1 | 107.8° | 109.5° |
| CAS | CAK | HAK2 | 106.7° | 109.5° |
| CAK | CAS | NAB | 111.1° | 109.5° |
| CAK | CAS | CAP | 110.2° | 109.5° |
| CAK | CAS | HAS | 107.1° | 109.5° |
| HAK1 | CAK | HAK2 | 113.5° | 109.4° |
| NAB | CAS | CAP | 107.0° | 109.5° |
| NAB | CAS | HAS | 110.4° | 109.5° |
| CAS | NAB | HAB1 | 109.5° | 111.0° |
| CAS | NAB | HAB2 | 109.5° | 111.0° |
| CAP | CAS | HAS | 111.2° | 109.5° |
| CAS | CAP | OAE | 117.2° | 120.0° |
| CAS | CAP | OAG | 121.3° | 120.0° |
| HAB1 | NAB | HAB2 | 109.5° | 111.0° |
| OAE | CAP | OAG | 121.5° | 120.0° |
| CAP | OAE | HOAE | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAN | HAN1 | HAN2 | 120.0° | 120.0° |
| CAT | CAN | HAN1 | HAN3 | 120.0° | 120.0° |
| CAT | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| CAN | CAT | NAC | CAQ | 119.0° | 120.0° |
| CAN | CAT | NAC | CAM | 117.3° | 119.9° |
| CAN | CAT | CAQ | CAM | 118.4° | 119.9° |
| CAN | CAT | NAC | HAC1 | 106.5° | 180.0° |
| CAN | CAT | NAC | HAC2 | 133.5° | 56.1° |
| CAN | CAT | CAQ | OAF | 103.7° | 85.0° |
| CAN | CAT | CAQ | OAH | 79.8° | 95.0° |
| CAN | CAT | CAM | CAJ | 105.9° | 60.0° |
| CAN | CAT | CAM | HAM1 | 14.1° | 60.1° |
| CAN | CAT | CAM | HAM2 | 137.0° | 180.0° |
| HAN1 | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| HAN1 | CAN | CAT | NAC | 123.1° | 60.0° |
| HAN1 | CAN | CAT | CAQ | 2.9° | 60.0° |
| HAN1 | CAN | CAT | CAM | 117.2° | 180.0° |
| HAN2 | CAN | CAT | NAC | 116.9° | 180.0° |
| HAN2 | CAN | CAT | CAQ | 122.9° | 60.0° |
| HAN2 | CAN | CAT | CAM | 2.8° | 60.0° |
| HAN3 | CAN | CAT | NAC | 3.1° | 60.0° |
| HAN3 | CAN | CAT | CAQ | 117.1° | 180.0° |
| HAN3 | CAN | CAT | CAM | 122.8° | 60.0° |
| NAC | CAT | CAQ | CAM | 124.3° | 120.0° |
| CAT | NAC | HAC1 | HAC2 | 120.0° | 123.9° |
| NAC | CAT | CAQ | OAF | 139.0° | 35.0° |
| NAC | CAT | CAQ | OAH | 37.6° | 145.0° |
| NAC | CAT | CAM | CAJ | 10.7° | 60.0° |
| NAC | CAT | CAM | HAM1 | 130.7° | 180.0° |
| NAC | CAT | CAM | HAM2 | 106.3° | 60.0° |
| CAQ | CAT | NAC | HAC1 | 134.5° | 60.0° |
| CAQ | CAT | NAC | HAC2 | 14.5° | 64.0° |
| CAT | CAQ | OAF | OAH | 176.4° | 180.0° |
| CAT | CAQ | OAF | HOAF | 176.4° | 180.0° |
| CAQ | CAT | CAM | CAJ | 134.8° | 180.0° |
| CAQ | CAT | CAM | HAM1 | 105.2° | 59.9° |
| CAQ | CAT | CAM | HAM2 | 17.7° | 60.0° |
| CAM | CAT | NAC | HAC1 | 10.8° | 60.0° |
| CAM | CAT | NAC | HAC2 | 109.2° | 176.0° |
| CAM | CAT | CAQ | OAF | 14.7° | 155.0° |
| CAM | CAT | CAQ | OAH | 161.8° | 25.0° |
| CAT | CAM | CAJ | HAM1 | 120.0° | 120.0° |
| CAT | CAM | CAJ | HAM2 | 117.0° | 119.9° |
| CAT | CAM | HAM1 | HAM2 | 117.3° | 119.9° |
| CAT | CAM | CAJ | CAK | 178.0° | 179.9° |
| CAT | CAM | CAJ | HAJ1 | 62.0° | 59.9° |
| CAT | CAM | CAJ | HAJ2 | 59.4° | 60.1° |
| OAH | CAQ | OAF | HOAF | 0.0° | 0.0° |
| CAJ | CAM | HAM1 | HAM2 | 117.3° | 120.0° |
| CAM | CAJ | CAK | HAJ1 | 120.0° | 120.0° |
| CAM | CAJ | CAK | HAJ2 | 118.6° | 120.0° |
| CAM | CAJ | HAJ1 | HAJ2 | 118.7° | 120.0° |
| CAM | CAJ | CAK | CAS | 81.0° | 180.0° |
| CAM | CAJ | CAK | HAK1 | 39.0° | 60.0° |
| CAM | CAJ | CAK | HAK2 | 161.2° | 59.9° |
| HAM1 | CAM | CAJ | CAK | 58.0° | 60.0° |
| HAM1 | CAM | CAJ | HAJ1 | 178.0° | 180.0° |
| HAM1 | CAM | CAJ | HAJ2 | 60.6° | 60.0° |
| HAM2 | CAM | CAJ | CAK | 64.9° | 60.0° |
| HAM2 | CAM | CAJ | HAJ1 | 55.1° | 60.0° |
| HAM2 | CAM | CAJ | HAJ2 | 176.4° | 180.0° |
| CAK | CAJ | HAJ1 | HAJ2 | 118.7° | 120.0° |
| CAJ | CAK | CAS | HAK1 | 120.0° | 120.0° |
| CAJ | CAK | CAS | HAK2 | 117.8° | 120.1° |
| CAJ | CAK | HAK1 | HAK2 | 117.9° | 120.0° |
| CAJ | CAK | CAS | NAB | 65.3° | 65.0° |
| CAJ | CAK | CAS | CAP | 176.3° | 175.0° |
| CAJ | CAK | CAS | HAS | 55.2° | 55.0° |
| HAJ1 | CAJ | CAK | CAS | 159.0° | 60.0° |
| HAJ1 | CAJ | CAK | HAK1 | 81.0° | 180.0° |
| HAJ1 | CAJ | CAK | HAK2 | 41.2° | 60.1° |
| HAJ2 | CAJ | CAK | CAS | 37.6° | 60.0° |
| HAJ2 | CAJ | CAK | HAK1 | 157.6° | 60.0° |
| HAJ2 | CAJ | CAK | HAK2 | 80.2° | 179.9° |
| CAS | CAK | HAK1 | HAK2 | 118.0° | 120.0° |
| CAK | CAS | NAB | CAP | 120.3° | 120.0° |
| CAK | CAS | NAB | HAS | 118.6° | 120.0° |
| CAK | CAS | CAP | HAS | 118.6° | 120.0° |
| CAK | CAS | NAB | HAB1 | 112.6° | 60.0° |
| CAK | CAS | NAB | HAB2 | 7.4° | 64.0° |
| CAK | CAS | CAP | OAE | 69.2° | 80.0° |
| CAK | CAS | CAP | OAG | 109.8° | 100.0° |
| HAK1 | CAK | CAS | NAB | 174.7° | 175.0° |
| HAK1 | CAK | CAS | CAP | 56.3° | 55.0° |
| HAK1 | CAK | CAS | HAS | 64.8° | 65.0° |
| HAK2 | CAK | CAS | NAB | 52.5° | 55.0° |
| HAK2 | CAK | CAS | CAP | 65.9° | 65.0° |
| HAK2 | CAK | CAS | HAS | 173.0° | 175.0° |
| NAB | CAS | CAP | HAS | 120.5° | 120.0° |
| CAS | NAB | HAB1 | HAB2 | 120.0° | 123.9° |
| NAB | CAS | CAP | OAE | 169.9° | 160.0° |
| NAB | CAS | CAP | OAG | 11.1° | 20.0° |
| CAP | CAS | NAB | HAB1 | 7.7° | 60.0° |
| CAP | CAS | NAB | HAB2 | 127.7° | 176.0° |
| CAS | CAP | OAE | OAG | 179.0° | 180.0° |
| CAS | CAP | OAE | HOAE | 179.0° | 180.0° |
| HAS | CAS | NAB | HAB1 | 128.8° | 180.0° |
| HAS | CAS | NAB | HAB2 | 111.2° | 56.1° |
| HAS | CAS | CAP | OAE | 49.4° | 40.0° |
| HAS | CAS | CAP | OAG | 131.7° | 140.0° |
| OAG | CAP | OAE | HOAE | 0.0° | 0.0° |
