9DX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAN | sing | 1.34Å | 1.26Å | |
| CAN | OAE | doub | 1.21Å | 1.25Å | |
| CAN | CAS | sing | 1.51Å | 1.55Å | |
| CAS | CB | sing | 1.53Å | 1.51Å | |
| CAS | OAL | sing | 1.44Å | 1.44Å | |
| CAS | CAJ | sing | 1.55Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| C | OXT | doub | 1.21Å | 1.25Å | |
| C | O | sing | 1.34Å | 1.27Å | |
| OAL | CAR | sing | 1.43Å | 1.41Å | |
| CAR | CAP | sing | 1.52Å | 1.53Å | |
| CAR | CAQ | sing | 1.54Å | 1.52Å | |
| CAP | OAF | sing | 1.43Å | 1.43Å | |
| CAP | CAH | sing | 1.53Å | 1.54Å | |
| CAH | CAG | sing | 1.53Å | 1.56Å | |
| CAG | OAK | sing | 1.43Å | 1.44Å | |
| OAK | CAQ | sing | 1.43Å | 1.45Å | |
| CAQ | CAJ | sing | 1.56Å | 1.49Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAN | OAE | 123.5° | 120.0° |
| OAC | CAN | CAS | 118.4° | 120.0° |
| CAN | OAC | HOAC | 109.5° | 117.0° |
| OAE | CAN | CAS | 118.1° | 120.0° |
| CAN | CAS | CB | 111.4° | 109.9° |
| CAN | CAS | OAL | 110.7° | 109.9° |
| CAN | CAS | CAJ | 107.9° | 109.8° |
| CB | CAS | OAL | 109.9° | 109.8° |
| CB | CAS | CAJ | 109.2° | 109.9° |
| CAS | CB | CA | 114.2° | 109.4° |
| CAS | CB | HB | 107.9° | 109.4° |
| CAS | CB | HBA | 106.9° | 109.5° |
| OAL | CAS | CAJ | 107.5° | 107.6° |
| CAS | OAL | CAR | 111.1° | 109.4° |
| CAS | CAJ | CAQ | 102.5° | 102.0° |
| CAS | CAJ | HAJ | 111.8° | 110.9° |
| CAS | CAJ | HAJA | 113.4° | 110.9° |
| CB | CA | N | 112.1° | 109.5° |
| CB | CA | C | 109.0° | 109.5° |
| CA | CB | HB | 107.9° | 109.5° |
| CA | CB | HBA | 106.9° | 109.5° |
| CB | CA | HA | 108.1° | 109.5° |
| N | CA | C | 109.8° | 109.5° |
| N | CA | HA | 107.3° | 109.5° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| CA | C | OXT | 118.6° | 120.0° |
| CA | C | O | 118.6° | 120.0° |
| C | CA | HA | 110.5° | 109.4° |
| OXT | C | O | 122.8° | 120.0° |
| C | O | HO | 109.5° | 117.0° |
| OAL | CAR | CAP | 109.1° | 112.5° |
| OAL | CAR | CAQ | 105.3° | 106.0° |
| OAL | CAR | HAR | 112.9° | 109.0° |
| CAP | CAR | CAQ | 111.0° | 112.1° |
| CAR | CAP | OAF | 113.7° | 109.3° |
| CAR | CAP | CAH | 111.0° | 110.6° |
| CAP | CAR | HAR | 107.4° | 109.0° |
| CAR | CAP | HAP | 103.8° | 109.3° |
| CAR | CAQ | OAK | 110.5° | 110.5° |
| CAR | CAQ | CAJ | 106.6° | 100.1° |
| CAQ | CAR | HAR | 111.1° | 108.2° |
| CAR | CAQ | HAQ | 110.6° | 112.7° |
| OAF | CAP | CAH | 103.2° | 109.3° |
| OAF | CAP | HAP | 111.5° | 109.2° |
| CAP | OAF | HOAF | 109.5° | 114.0° |
| CAP | CAH | CAG | 110.6° | 108.2° |
| CAH | CAP | HAP | 114.1° | 109.2° |
| CAP | CAH | HAH | 109.1° | 109.7° |
| CAP | CAH | HAHA | 108.9° | 109.7° |
| CAH | CAG | OAK | 110.5° | 108.6° |
| CAG | CAH | HAH | 109.1° | 109.7° |
| CAG | CAH | HAHA | 108.8° | 109.7° |
| CAH | CAG | HAG | 109.1° | 109.6° |
| CAH | CAG | HAGA | 108.9° | 109.6° |
| CAG | OAK | CAQ | 113.5° | 115.6° |
| OAK | CAG | HAG | 109.1° | 109.6° |
| OAK | CAG | HAGA | 108.9° | 109.6° |
| OAK | CAQ | CAJ | 109.0° | 106.6° |
| OAK | CAQ | HAQ | 108.2° | 112.5° |
| CAJ | CAQ | HAQ | 112.0° | 113.5° |
| CAQ | CAJ | HAJ | 111.9° | 110.9° |
| CAQ | CAJ | HAJA | 113.3° | 111.0° |
| HB | CB | HBA | 113.3° | 109.5° |
| HN | N | HNA | 109.5° | 111.0° |
| HAH | CAH | HAHA | 110.3° | 109.8° |
| HAG | CAG | HAGA | 110.3° | 109.8° |
| HAJ | CAJ | HAJA | 104.2° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAN | OAE | CAS | 178.9° | 180.0° |
| OAC | CAN | CAS | CB | 45.8° | 84.3° |
| OAC | CAN | CAS | OAL | 168.4° | 36.7° |
| OAC | CAN | CAS | CAJ | 74.2° | 154.8° |
| OAE | CAN | CAS | CB | 135.2° | 95.7° |
| OAE | CAN | CAS | OAL | 12.6° | 143.4° |
| OAE | CAN | CAS | CAJ | 104.8° | 25.3° |
| OAE | CAN | OAC | HOAC | 0.0° | 0.1° |
| CAN | CAS | CB | OAL | 123.1° | 120.9° |
| CAN | CAS | CB | CAJ | 119.2° | 120.9° |
| CAN | CAS | OAL | CAJ | 117.7° | 119.5° |
| CAN | CAS | CB | CA | 54.8° | 54.3° |
| CAN | CAS | OAL | CAR | 114.4° | 121.3° |
| CAN | CAS | CAJ | CAQ | 101.1° | 97.7° |
| CAS | CAN | OAC | HOAC | 178.9° | 180.0° |
| CAN | CAS | CB | HB | 65.2° | 65.7° |
| CAN | CAS | CB | HBA | 172.7° | 174.3° |
| CAN | CAS | CAJ | HAJ | 138.9° | 144.1° |
| CAN | CAS | CAJ | HAJA | 21.4° | 20.6° |
| CB | CAS | OAL | CAJ | 118.8° | 119.5° |
| CAS | CB | CA | HB | 120.0° | 120.0° |
| CAS | CB | CA | HBA | 117.9° | 120.0° |
| CAS | CB | CA | N | 78.5° | 65.0° |
| CAS | CB | CA | C | 159.6° | 175.0° |
| CB | CAS | OAL | CAR | 122.1° | 117.7° |
| CB | CAS | CAJ | CAQ | 137.6° | 141.3° |
| CAS | CB | HB | HBA | 118.1° | 120.0° |
| CAS | CB | CA | HA | 39.5° | 55.0° |
| CB | CAS | CAJ | HAJ | 17.6° | 23.1° |
| CB | CAS | CAJ | HAJA | 99.9° | 100.4° |
| OAL | CAS | CB | CA | 68.3° | 66.7° |
| CAS | OAL | CAR | CAP | 132.3° | 148.3° |
| CAS | OAL | CAR | CAQ | 13.2° | 25.5° |
| OAL | CAS | CAJ | CAQ | 18.4° | 21.8° |
| OAL | CAS | CB | HB | 171.7° | 173.3° |
| OAL | CAS | CB | HBA | 49.6° | 53.3° |
| CAS | OAL | CAR | HAR | 108.3° | 90.7° |
| OAL | CAS | CAJ | HAJ | 101.6° | 96.4° |
| OAL | CAS | CAJ | HAJA | 140.9° | 140.1° |
| CAJ | CAS | CB | CA | 173.9° | 175.2° |
| CAJ | CAS | OAL | CAR | 3.3° | 1.8° |
| CAS | CAJ | CAQ | CAR | 26.1° | 34.8° |
| CAS | CAJ | CAQ | OAK | 93.2° | 80.3° |
| CAS | CAJ | CAQ | HAJ | 120.0° | 118.1° |
| CAS | CAJ | CAQ | HAJA | 122.5° | 118.2° |
| CAJ | CAS | CB | HB | 54.0° | 55.2° |
| CAJ | CAS | CB | HBA | 68.1° | 64.8° |
| CAS | CAJ | CAQ | HAQ | 147.1° | 155.2° |
| CAS | CAJ | HAJ | HAJA | 122.8° | 123.6° |
| CB | CA | N | C | 121.3° | 120.0° |
| CB | CA | N | HA | 118.6° | 120.0° |
| CB | CA | C | HA | 118.7° | 120.0° |
| CB | CA | C | OXT | 55.0° | 100.0° |
| CB | CA | C | O | 126.8° | 80.0° |
| CA | CB | HB | HBA | 118.1° | 120.0° |
| CB | CA | N | HN | 160.0° | 176.0° |
| CB | CA | N | HNA | 80.0° | 60.0° |
| N | CA | C | HA | 118.2° | 120.0° |
| N | CA | C | OXT | 178.1° | 20.0° |
| N | CA | C | O | 3.6° | 160.0° |
| N | CA | CB | HB | 161.5° | 175.0° |
| N | CA | CB | HBA | 39.4° | 55.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| CA | C | OXT | O | 178.2° | 179.9° |
| C | CA | CB | HB | 39.7° | 55.0° |
| C | CA | CB | HBA | 82.4° | 65.0° |
| C | CA | N | HN | 78.7° | 64.0° |
| C | CA | N | HNA | 41.3° | 60.0° |
| CA | C | O | HO | 178.1° | 180.0° |
| OXT | C | CA | HA | 63.7° | 140.1° |
| OXT | C | O | HO | 0.0° | 0.1° |
| O | C | CA | HA | 114.5° | 40.0° |
| OAL | CAR | CAP | CAQ | 115.5° | 119.3° |
| OAL | CAR | CAP | HAR | 122.8° | 121.0° |
| OAL | CAR | CAQ | HAR | 122.6° | 116.8° |
| OAL | CAR | CAP | OAF | 35.3° | 52.2° |
| OAL | CAR | CAP | CAH | 151.2° | 68.1° |
| OAL | CAR | CAQ | OAK | 93.3° | 74.5° |
| OAL | CAR | CAQ | CAJ | 25.0° | 37.7° |
| OAL | CAR | CAP | HAP | 85.9° | 171.6° |
| OAL | CAR | CAQ | HAQ | 147.0° | 158.6° |
| CAP | CAR | CAQ | HAR | 119.5° | 120.2° |
| CAR | CAP | OAF | CAH | 120.3° | 121.1° |
| CAR | CAP | OAF | HAP | 116.8° | 119.5° |
| CAR | CAP | CAH | HAP | 116.8° | 120.3° |
| CAR | CAP | CAH | CAG | 59.4° | 56.7° |
| CAP | CAR | CAQ | OAK | 24.6° | 48.6° |
| CAP | CAR | CAQ | CAJ | 142.9° | 160.8° |
| CAR | CAP | OAF | HOAF | 71.3° | 180.0° |
| CAR | CAP | CAH | HAH | 179.4° | 63.0° |
| CAR | CAP | CAH | HAHA | 60.1° | 176.4° |
| CAP | CAR | CAQ | HAQ | 95.2° | 78.3° |
| CAQ | CAR | CAP | OAF | 80.2° | 171.5° |
| CAQ | CAR | CAP | CAH | 35.6° | 51.2° |
| CAR | CAQ | OAK | CAG | 69.4° | 55.8° |
| CAR | CAQ | OAK | CAJ | 116.8° | 107.9° |
| CAR | CAQ | OAK | HAQ | 121.2° | 127.0° |
| CAR | CAQ | CAJ | HAQ | 121.0° | 120.4° |
| CAQ | CAR | CAP | HAP | 158.6° | 69.0° |
| CAR | CAQ | CAJ | HAJ | 93.9° | 83.3° |
| CAR | CAQ | CAJ | HAJA | 148.6° | 153.0° |
| OAF | CAP | CAH | HAP | 121.1° | 119.4° |
| OAF | CAP | CAH | CAG | 62.7° | 177.0° |
| OAF | CAP | CAR | HAR | 158.1° | 68.8° |
| OAF | CAP | CAH | HAH | 57.3° | 57.3° |
| OAF | CAP | CAH | HAHA | 177.8° | 63.3° |
| CAP | CAH | CAG | HAH | 120.0° | 119.6° |
| CAP | CAH | CAG | HAHA | 119.5° | 119.7° |
| CAP | CAH | CAG | OAK | 19.3° | 60.7° |
| CAH | CAP | CAR | HAR | 86.1° | 170.9° |
| CAH | CAP | OAF | HOAF | 49.0° | 58.9° |
| CAP | CAH | HAH | HAHA | 119.6° | 120.7° |
| CAP | CAH | CAG | HAG | 100.7° | 179.6° |
| CAP | CAH | CAG | HAGA | 138.8° | 59.1° |
| CAH | CAG | OAK | HAG | 120.0° | 119.7° |
| CAH | CAG | OAK | HAGA | 119.6° | 119.7° |
| CAH | CAG | OAK | CAQ | 43.8° | 62.6° |
| CAG | CAH | CAP | HAP | 176.2° | 63.6° |
| CAG | CAH | HAH | HAHA | 119.5° | 120.6° |
| CAH | CAG | HAG | HAGA | 119.6° | 120.4° |
| CAG | OAK | CAQ | CAJ | 173.8° | 163.7° |
| OAK | CAG | CAH | HAH | 139.3° | 59.0° |
| OAK | CAG | CAH | HAHA | 100.3° | 179.7° |
| OAK | CAG | HAG | HAGA | 119.6° | 120.4° |
| CAG | OAK | CAQ | HAQ | 51.7° | 71.2° |
| OAK | CAQ | CAJ | HAQ | 119.7° | 124.4° |
| OAK | CAQ | CAR | HAR | 144.1° | 168.7° |
| CAQ | OAK | CAG | HAG | 163.8° | 177.6° |
| CAQ | OAK | CAG | HAGA | 75.8° | 57.1° |
| OAK | CAQ | CAJ | HAJ | 146.8° | 161.5° |
| OAK | CAQ | CAJ | HAJA | 29.3° | 37.9° |
| CAJ | CAQ | CAR | HAR | 97.6° | 79.1° |
| CAQ | CAJ | HAJ | HAJA | 122.8° | 123.8° |
| HB | CB | CA | HA | 80.5° | 64.9° |
| HBA | CB | CA | HA | 157.4° | 175.0° |
| HA | CA | N | HN | 41.4° | 56.0° |
| HA | CA | N | HNA | 161.4° | 180.0° |
| HAR | CAR | CAP | HAP | 36.9° | 50.7° |
| HAR | CAR | CAQ | HAQ | 24.4° | 41.9° |
| HAP | CAP | OAF | HOAF | 171.9° | 60.5° |
| HAP | CAP | CAH | HAH | 63.8° | 176.8° |
| HAP | CAP | CAH | HAHA | 56.7° | 56.1° |
| HAH | CAH | CAG | HAG | 19.3° | 60.8° |
| HAH | CAH | CAG | HAGA | 101.1° | 178.7° |
| HAHA | CAH | CAG | HAG | 139.7° | 59.9° |
| HAHA | CAH | CAG | HAGA | 19.3° | 60.6° |
| HAQ | CAQ | CAJ | HAJ | 27.1° | 37.1° |
| HAQ | CAQ | CAJ | HAJA | 90.4° | 86.6° |
