9EP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAB | sing | 1.34Å | 1.39Å | |
| CAA | CAQ | sing | 1.51Å | 1.54Å | |
| CAA | OAS | doub | 1.21Å | 1.24Å | |
| OAB | CAC | sing | 1.45Å | 1.38Å | |
| CAC | CAD | sing | 1.51Å | 1.56Å | |
| CAD | CAF | doub | 1.31Å | 1.40Å | |
| CAD | CAR | sing | 1.50Å | 1.53Å | |
| SAE | CAK | sing | 1.82Å | 1.80Å | |
| SAE | CAR | sing | 1.82Å | 1.83Å | |
| CAF | CAG | sing | 1.47Å | 1.51Å | |
| CAF | NAJ | sing | 1.39Å | 1.34Å | |
| CAG | OAH | doub | 1.21Å | 1.23Å | |
| CAG | OAI | sing | 1.35Å | 1.24Å | |
| NAJ | CAK | sing | 1.47Å | 1.47Å | |
| CAK | CAL | sing | 1.53Å | 1.55Å | |
| CAL | NAM | sing | 1.47Å | 1.47Å | |
| CAL | CAO | sing | 1.51Å | 1.52Å | |
| NAM | CAN | sing | 1.35Å | 1.34Å | |
| CAN | CAT | sing | 1.51Å | 1.53Å | |
| CAN | OAU | doub | 1.21Å | 1.24Å | |
| CAO | OAP | doub | 1.21Å | 1.40Å | |
| CAT | CAV | sing | 1.51Å | 1.53Å | |
| CAV | CAW | doub | 1.33Å | 1.34Å | Aromatic |
| CAV | SAX | sing | 1.76Å | 1.67Å | Aromatic |
| CAW | CAZ | sing | 1.38Å | 1.36Å | Aromatic |
| SAX | CAY | sing | 1.76Å | 1.71Å | Aromatic |
| CAY | CAZ | doub | 1.33Å | 1.34Å | Aromatic |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAQ | HAQB | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| OAI | HOAI | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAA | CAQ | 117.8° | 120.0° |
| OAB | CAA | OAS | 123.0° | 120.0° |
| CAA | OAB | CAC | 123.1° | 117.0° |
| CAQ | CAA | OAS | 119.2° | 120.0° |
| CAA | CAQ | HAQ | 109.5° | 109.5° |
| CAA | CAQ | HAQA | 109.5° | 109.5° |
| CAA | CAQ | HAQB | 109.5° | 109.4° |
| OAB | CAC | CAD | 120.3° | 109.5° |
| OAB | CAC | HAC | 106.7° | 109.5° |
| OAB | CAC | HACA | 106.7° | 109.5° |
| CAC | CAD | CAF | 121.5° | 117.2° |
| CAC | CAD | CAR | 116.9° | 117.2° |
| CAD | CAC | HAC | 106.7° | 109.5° |
| CAD | CAC | HACA | 106.7° | 109.4° |
| CAF | CAD | CAR | 121.6° | 125.7° |
| CAD | CAF | CAG | 124.1° | 116.4° |
| CAD | CAF | NAJ | 124.6° | 127.2° |
| CAD | CAR | SAE | 113.0° | 109.5° |
| CAD | CAR | HAR | 108.6° | 109.5° |
| CAD | CAR | HARA | 108.6° | 109.5° |
| CAK | SAE | CAR | 103.2° | 101.3° |
| SAE | CAK | NAJ | 111.1° | 107.2° |
| SAE | CAK | CAL | 114.2° | 109.9° |
| SAE | CAK | HAK | 104.8° | 109.9° |
| SAE | CAR | HAR | 108.6° | 109.6° |
| SAE | CAR | HARA | 108.6° | 109.3° |
| CAG | CAF | NAJ | 111.3° | 116.4° |
| CAF | CAG | OAH | 120.9° | 120.0° |
| CAF | CAG | OAI | 115.1° | 120.0° |
| CAF | NAJ | CAK | 129.9° | 121.0° |
| CAF | NAJ | HNAJ | 104.1° | 119.5° |
| OAH | CAG | OAI | 124.1° | 120.0° |
| CAG | OAI | HOAI | 109.5° | 117.0° |
| NAJ | CAK | CAL | 110.9° | 110.0° |
| CAK | NAJ | HNAJ | 104.1° | 119.5° |
| NAJ | CAK | HAK | 108.2° | 109.8° |
| CAK | CAL | NAM | 118.4° | 109.5° |
| CAK | CAL | CAO | 107.6° | 109.5° |
| CAL | CAK | HAK | 107.3° | 110.0° |
| CAK | CAL | HAL | 106.5° | 109.5° |
| NAM | CAL | CAO | 109.6° | 109.5° |
| CAL | NAM | CAN | 119.8° | 120.0° |
| NAM | CAL | HAL | 107.4° | 109.5° |
| CAL | NAM | HNAM | 120.1° | 120.0° |
| CAL | CAO | OAP | 114.7° | 120.0° |
| CAO | CAL | HAL | 106.8° | 109.5° |
| CAL | CAO | HAO | 122.7° | 120.0° |
| NAM | CAN | CAT | 115.5° | 120.0° |
| NAM | CAN | OAU | 123.6° | 120.0° |
| CAN | NAM | HNAM | 120.1° | 120.0° |
| CAT | CAN | OAU | 121.0° | 120.0° |
| CAN | CAT | CAV | 109.4° | 109.5° |
| CAN | CAT | HAT | 109.5° | 109.5° |
| CAN | CAT | HATA | 109.5° | 109.5° |
| OAP | CAO | HAO | 122.7° | 120.0° |
| CAT | CAV | CAW | 129.6° | 125.2° |
| CAT | CAV | SAX | 122.8° | 125.2° |
| CAV | CAT | HAT | 109.5° | 109.4° |
| CAV | CAT | HATA | 109.5° | 109.5° |
| CAW | CAV | SAX | 107.6° | 109.6° |
| CAV | CAW | CAZ | 115.1° | 114.9° |
| CAV | CAW | HAW | 122.4° | 122.6° |
| CAV | SAX | CAY | 95.5° | 91.0° |
| CAW | CAZ | CAY | 115.5° | 114.9° |
| CAZ | CAW | HAW | 122.5° | 122.5° |
| CAW | CAZ | HAZ | 122.2° | 122.5° |
| SAX | CAY | CAZ | 106.3° | 109.6° |
| SAX | CAY | HAY | 126.9° | 125.2° |
| CAZ | CAY | HAY | 126.8° | 125.2° |
| CAY | CAZ | HAZ | 122.3° | 122.5° |
| HAC | CAC | HACA | 109.5° | 109.4° |
| HAQ | CAQ | HAQA | 109.5° | 109.5° |
| HAQ | CAQ | HAQB | 109.4° | 109.4° |
| HAQA | CAQ | HAQB | 109.5° | 109.4° |
| HAR | CAR | HARA | 109.5° | 109.5° |
| HAT | CAT | HATA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAA | CAQ | OAS | 179.0° | 179.6° |
| CAA | OAB | CAC | CAD | 164.4° | 175.5° |
| CAA | OAB | CAC | HAC | 74.0° | 64.4° |
| CAA | OAB | CAC | HACA | 42.9° | 55.5° |
| OAB | CAA | CAQ | HAQ | 179.0° | 0.1° |
| OAB | CAA | CAQ | HAQA | 59.0° | 120.0° |
| OAB | CAA | CAQ | HAQB | 61.0° | 120.0° |
| CAQ | CAA | OAB | CAC | 155.9° | 180.0° |
| CAA | CAQ | HAQ | HAQA | 120.0° | 120.1° |
| CAA | CAQ | HAQ | HAQB | 120.0° | 119.9° |
| CAA | CAQ | HAQA | HAQB | 120.0° | 120.0° |
| OAS | CAA | OAB | CAC | 25.1° | 0.4° |
| OAS | CAA | CAQ | HAQ | 0.0° | 179.7° |
| OAS | CAA | CAQ | HAQA | 120.0° | 59.6° |
| OAS | CAA | CAQ | HAQB | 120.0° | 60.4° |
| OAB | CAC | CAD | HAC | 121.5° | 120.1° |
| OAB | CAC | CAD | HACA | 121.5° | 120.0° |
| OAB | CAC | CAD | CAF | 178.5° | 125.3° |
| OAB | CAC | CAD | CAR | 1.0° | 54.9° |
| OAB | CAC | HAC | HACA | 115.1° | 120.0° |
| CAC | CAD | CAF | CAR | 177.3° | 179.8° |
| CAC | CAD | CAR | SAE | 155.7° | 158.9° |
| CAC | CAD | CAF | CAG | 0.3° | 0.8° |
| CAC | CAD | CAF | NAJ | 179.1° | 179.2° |
| CAD | CAC | HAC | HACA | 115.1° | 120.0° |
| CAC | CAD | CAR | HAR | 83.7° | 38.8° |
| CAC | CAD | CAR | HARA | 35.2° | 81.2° |
| CAF | CAD | CAR | SAE | 26.8° | 20.8° |
| CAD | CAF | CAG | NAJ | 178.9° | 180.0° |
| CAD | CAF | CAG | OAH | 3.3° | 93.1° |
| CAD | CAF | CAG | OAI | 176.3° | 86.8° |
| CAD | CAF | NAJ | CAK | 1.1° | 14.8° |
| CAF | CAD | CAC | HAC | 60.0° | 5.2° |
| CAF | CAD | CAC | HACA | 57.0° | 114.7° |
| CAD | CAF | NAJ | HNAJ | 123.7° | 165.3° |
| CAF | CAD | CAR | HAR | 93.7° | 141.0° |
| CAF | CAD | CAR | HARA | 147.3° | 99.0° |
| CAD | CAR | SAE | CAK | 42.7° | 44.8° |
| CAD | CAR | SAE | HAR | 120.5° | 120.1° |
| CAD | CAR | SAE | HARA | 120.5° | 119.9° |
| CAR | CAD | CAF | CAG | 177.0° | 179.4° |
| CAR | CAD | CAF | NAJ | 1.7° | 0.6° |
| CAR | CAD | CAC | HAC | 122.5° | 175.0° |
| CAR | CAD | CAC | HACA | 120.5° | 65.1° |
| CAD | CAR | HAR | HARA | 118.4° | 120.0° |
| SAE | CAK | NAJ | CAF | 22.0° | 44.7° |
| SAE | CAK | NAJ | CAL | 128.1° | 119.5° |
| SAE | CAK | NAJ | HAK | 114.5° | 119.4° |
| SAE | CAK | CAL | HAK | 115.6° | 121.2° |
| SAE | CAK | CAL | NAM | 38.9° | 60.0° |
| SAE | CAK | CAL | CAO | 163.7° | 60.0° |
| SAE | CAK | NAJ | HNAJ | 100.6° | 135.3° |
| SAE | CAK | CAL | HAL | 82.0° | 180.0° |
| CAK | SAE | CAR | HAR | 77.8° | 164.9° |
| CAK | SAE | CAR | HARA | 163.2° | 75.1° |
| CAR | SAE | CAK | NAJ | 39.4° | 56.1° |
| CAR | SAE | CAK | CAL | 86.9° | 175.6° |
| CAR | SAE | CAK | HAK | 156.0° | 63.2° |
| SAE | CAR | HAR | HARA | 118.4° | 119.9° |
| CAF | CAG | OAH | OAI | 179.5° | 180.0° |
| CAG | CAF | NAJ | CAK | 180.0° | 165.2° |
| CAG | CAF | NAJ | HNAJ | 57.4° | 14.7° |
| CAF | CAG | OAI | HOAI | 179.6° | 180.0° |
| NAJ | CAF | CAG | OAH | 175.7° | 86.9° |
| NAJ | CAF | CAG | OAI | 4.8° | 93.1° |
| CAF | NAJ | CAK | HNAJ | 122.6° | 180.0° |
| CAF | NAJ | CAK | CAL | 106.1° | 164.2° |
| CAF | NAJ | CAK | HAK | 136.5° | 74.6° |
| OAH | CAG | OAI | HOAI | 0.0° | 0.0° |
| NAJ | CAK | CAL | HAK | 118.0° | 121.1° |
| NAJ | CAK | CAL | NAM | 87.5° | 177.8° |
| NAJ | CAK | CAL | CAO | 37.3° | 57.8° |
| NAJ | CAK | CAL | HAL | 151.6° | 62.2° |
| CAK | CAL | NAM | CAO | 123.8° | 120.0° |
| CAK | CAL | NAM | HAL | 120.5° | 120.0° |
| CAK | CAL | CAO | HAL | 114.0° | 120.0° |
| CAK | CAL | NAM | CAN | 96.3° | 155.0° |
| CAK | CAL | CAO | OAP | 96.2° | 119.9° |
| CAL | CAK | NAJ | HNAJ | 131.3° | 15.8° |
| CAK | CAL | NAM | HNAM | 83.7° | 25.0° |
| CAK | CAL | CAO | HAO | 83.8° | 60.0° |
| NAM | CAL | CAO | HAL | 116.0° | 120.0° |
| CAL | NAM | CAN | HNAM | 180.0° | 179.9° |
| CAL | NAM | CAN | CAT | 177.7° | 180.0° |
| CAL | NAM | CAN | OAU | 1.3° | 0.1° |
| NAM | CAL | CAO | OAP | 33.7° | 0.0° |
| NAM | CAL | CAK | HAK | 154.5° | 61.1° |
| NAM | CAL | CAO | HAO | 146.3° | 180.0° |
| CAO | CAL | NAM | CAN | 139.9° | 85.0° |
| CAL | CAO | OAP | HAO | 180.0° | 179.9° |
| CAO | CAL | CAK | HAK | 80.7° | 178.9° |
| CAO | CAL | NAM | HNAM | 40.1° | 95.1° |
| NAM | CAN | CAT | OAU | 179.0° | 179.9° |
| NAM | CAN | CAT | CAV | 78.8° | 179.9° |
| CAN | NAM | CAL | HAL | 24.2° | 34.9° |
| NAM | CAN | CAT | HAT | 161.2° | 60.0° |
| NAM | CAN | CAT | HATA | 41.2° | 60.1° |
| CAN | CAT | CAV | HAT | 120.0° | 120.0° |
| CAN | CAT | CAV | HATA | 120.0° | 120.0° |
| CAN | CAT | CAV | CAW | 63.1° | 90.0° |
| CAN | CAT | CAV | SAX | 116.8° | 90.3° |
| CAT | CAN | NAM | HNAM | 2.3° | 0.1° |
| CAN | CAT | HAT | HATA | 120.0° | 120.0° |
| OAU | CAN | CAT | CAV | 102.2° | 0.0° |
| OAU | CAN | NAM | HNAM | 178.7° | 180.0° |
| OAU | CAN | CAT | HAT | 17.8° | 119.9° |
| OAU | CAN | CAT | HATA | 137.8° | 120.0° |
| OAP | CAO | CAL | HAL | 149.8° | 120.0° |
| CAT | CAV | CAW | SAX | 179.9° | 179.7° |
| CAT | CAV | CAW | CAZ | 179.6° | 180.0° |
| CAT | CAV | SAX | CAY | 179.7° | 180.0° |
| CAV | CAT | HAT | HATA | 120.0° | 120.0° |
| CAT | CAV | CAW | HAW | 0.4° | 0.0° |
| CAV | CAW | CAZ | HAW | 180.0° | 180.0° |
| CAW | CAV | SAX | CAY | 0.2° | 0.3° |
| CAV | CAW | CAZ | CAY | 0.2° | 0.1° |
| CAW | CAV | CAT | HAT | 56.9° | 29.9° |
| CAW | CAV | CAT | HATA | 176.9° | 150.0° |
| CAV | CAW | CAZ | HAZ | 179.8° | 180.0° |
| SAX | CAV | CAW | CAZ | 0.2° | 0.3° |
| CAV | SAX | CAY | CAZ | 0.1° | 0.2° |
| SAX | CAV | CAT | HAT | 123.2° | 149.7° |
| SAX | CAV | CAT | HATA | 3.2° | 29.7° |
| SAX | CAV | CAW | HAW | 179.8° | 179.7° |
| CAV | SAX | CAY | HAY | 179.9° | 180.0° |
| CAW | CAZ | CAY | SAX | 0.0° | 0.1° |
| CAW | CAZ | CAY | HAZ | 180.0° | 179.9° |
| CAW | CAZ | CAY | HAY | 180.0° | 179.9° |
| SAX | CAY | CAZ | HAY | 180.0° | 179.8° |
| SAX | CAY | CAZ | HAZ | 180.0° | 179.8° |
| CAY | CAZ | CAW | HAW | 179.8° | 179.9° |
| HNAJ | NAJ | CAK | HAK | 13.9° | 105.3° |
| HAK | CAK | CAL | HAL | 33.6° | 58.8° |
| HAL | CAL | NAM | HNAM | 155.8° | 145.0° |
| HAL | CAL | CAO | HAO | 30.2° | 60.0° |
| HAQ | CAQ | HAQA | HAQB | 120.0° | 120.0° |
| HAW | CAW | CAZ | HAZ | 0.2° | 0.0° |
| HAY | CAY | CAZ | HAZ | 0.0° | 0.0° |
