25P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CLAG | sing | 1.74Å | 1.70Å | |
| CAB | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | OAH | sing | 1.36Å | 1.34Å | |
| OAH | CAI | sing | 1.36Å | 1.35Å | |
| CAI | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.41Å | Aromatic |
| CAM | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | OAO | sing | 1.36Å | 1.36Å | |
| OAO | CAP | sing | 1.43Å | 1.42Å | |
| CAP | CAQ | sing | 1.53Å | 1.53Å | |
| CAQ | CAR | sing | 1.54Å | 1.52Å | |
| CAQ | NAU | sing | 1.47Å | 1.49Å | |
| CAR | CAS | sing | 1.55Å | 1.51Å | |
| CAS | CAT | sing | 1.55Å | 1.51Å | |
| CAT | NAU | sing | 1.48Å | 1.47Å | |
| NAU | CAV | sing | 1.47Å | 1.46Å | |
| CAV | CAW | sing | 1.53Å | 1.51Å | |
| CAW | CAX | sing | 1.53Å | 1.53Å | |
| CAX | CAY | sing | 1.51Å | 1.52Å | |
| CAY | OBA | sing | 1.22Å | 1.26Å | |
| CAY | OAZ | doub | 1.22Å | 1.24Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAVA | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAW | HAWA | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAX | HAXA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAE | 118.7° | 119.9° |
| CAD | CAC | CAB | 119.2° | 120.0° |
| CAC | CAD | HAD | 120.6° | 120.0° |
| CAD | CAC | HAC | 120.4° | 119.9° |
| CAD | CAE | CAF | 122.0° | 120.0° |
| CAD | CAE | OAH | 117.2° | 120.0° |
| CAE | CAD | HAD | 120.7° | 120.0° |
| CAC | CAB | CLAG | 117.8° | 119.9° |
| CAC | CAB | CAA | 122.8° | 120.1° |
| CAB | CAC | HAC | 120.4° | 120.0° |
| CLAG | CAB | CAA | 119.4° | 119.9° |
| CAB | CAA | CAF | 118.3° | 120.0° |
| CAB | CAA | HAA | 120.9° | 120.0° |
| CAA | CAF | CAE | 119.1° | 120.0° |
| CAF | CAA | HAA | 120.9° | 120.0° |
| CAA | CAF | HAF | 120.4° | 120.0° |
| CAF | CAE | OAH | 120.7° | 120.0° |
| CAE | CAF | HAF | 120.5° | 120.0° |
| CAE | OAH | CAI | 119.2° | 118.0° |
| OAH | CAI | CAN | 121.8° | 120.0° |
| OAH | CAI | CAJ | 117.5° | 120.0° |
| CAN | CAI | CAJ | 120.6° | 120.0° |
| CAI | CAN | CAM | 118.7° | 120.0° |
| CAI | CAN | HAN | 120.6° | 120.0° |
| CAI | CAJ | CAK | 120.8° | 120.0° |
| CAI | CAJ | HAJ | 119.6° | 120.0° |
| CAN | CAM | CAL | 120.5° | 120.0° |
| CAM | CAN | HAN | 120.6° | 120.0° |
| CAN | CAM | HAM | 119.7° | 120.0° |
| CAM | CAL | CAK | 119.9° | 120.0° |
| CAM | CAL | OAO | 122.6° | 120.0° |
| CAL | CAM | HAM | 119.8° | 120.0° |
| CAJ | CAK | CAL | 119.4° | 120.0° |
| CAK | CAJ | HAJ | 119.6° | 120.0° |
| CAJ | CAK | HAK | 120.3° | 120.1° |
| CAK | CAL | OAO | 117.5° | 120.0° |
| CAL | CAK | HAK | 120.3° | 119.9° |
| CAL | OAO | CAP | 115.5° | 117.0° |
| OAO | CAP | CAQ | 97.9° | 109.5° |
| OAO | CAP | HAP | 113.5° | 109.4° |
| OAO | CAP | HAPA | 115.9° | 109.5° |
| CAP | CAQ | CAR | 111.5° | 109.9° |
| CAP | CAQ | NAU | 114.3° | 109.9° |
| CAQ | CAP | HAP | 113.5° | 109.5° |
| CAQ | CAP | HAPA | 115.9° | 109.5° |
| CAP | CAQ | HAQ | 103.7° | 109.9° |
| CAR | CAQ | NAU | 106.3° | 107.2° |
| CAQ | CAR | CAS | 102.7° | 103.0° |
| CAR | CAQ | HAQ | 112.0° | 109.9° |
| CAQ | CAR | HAR | 111.8° | 110.7° |
| CAQ | CAR | HARA | 113.2° | 110.7° |
| CAQ | NAU | CAT | 107.1° | 108.6° |
| CAQ | NAU | CAV | 114.5° | 111.0° |
| NAU | CAQ | HAQ | 109.1° | 110.0° |
| CAR | CAS | CAT | 102.6° | 101.6° |
| CAS | CAR | HAR | 111.8° | 110.7° |
| CAS | CAR | HARA | 113.2° | 110.7° |
| CAR | CAS | HAS | 111.8° | 111.0° |
| CAR | CAS | HASA | 113.3° | 111.0° |
| CAS | CAT | NAU | 103.0° | 104.8° |
| CAT | CAS | HAS | 111.8° | 111.0° |
| CAT | CAS | HASA | 113.3° | 111.0° |
| CAS | CAT | HAT | 111.7° | 110.4° |
| CAS | CAT | HATA | 113.1° | 110.3° |
| CAT | NAU | CAV | 111.2° | 111.0° |
| NAU | CAT | HAT | 111.7° | 110.4° |
| NAU | CAT | HATA | 113.1° | 110.4° |
| NAU | CAV | CAW | 106.6° | 109.4° |
| NAU | CAV | HAV | 110.4° | 109.4° |
| NAU | CAV | HAVA | 111.1° | 109.4° |
| CAV | CAW | CAX | 108.8° | 109.4° |
| CAW | CAV | HAV | 110.4° | 109.5° |
| CAW | CAV | HAVA | 111.0° | 109.5° |
| CAV | CAW | HAW | 109.7° | 109.5° |
| CAV | CAW | HAWA | 109.9° | 109.5° |
| CAW | CAX | CAY | 112.1° | 109.5° |
| CAX | CAW | HAW | 109.7° | 109.4° |
| CAX | CAW | HAWA | 109.8° | 109.4° |
| CAW | CAX | HAX | 108.6° | 109.5° |
| CAW | CAX | HAXA | 108.0° | 109.5° |
| CAX | CAY | OBA | 117.6° | 120.0° |
| CAX | CAY | OAZ | 115.9° | 120.0° |
| CAY | CAX | HAX | 108.6° | 109.5° |
| CAY | CAX | HAXA | 108.0° | 109.4° |
| OBA | CAY | OAZ | 126.5° | 120.0° |
| HAP | CAP | HAPA | 100.9° | 109.5° |
| HAR | CAR | HARA | 104.3° | 110.7° |
| HAS | CAS | HASA | 104.3° | 110.9° |
| HAT | CAT | HATA | 104.6° | 110.4° |
| HAV | CAV | HAVA | 107.3° | 109.5° |
| HAW | CAW | HAWA | 108.9° | 109.5° |
| HAX | CAX | HAXA | 111.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAE | HAD | 180.0° | 179.8° |
| CAD | CAC | CAB | HAC | 180.0° | 180.0° |
| CAD | CAC | CAB | CLAG | 178.8° | 180.0° |
| CAD | CAC | CAB | CAA | 0.4° | 0.0° |
| CAC | CAD | CAE | CAF | 0.3° | 0.0° |
| CAC | CAD | CAE | OAH | 179.1° | 180.0° |
| CAE | CAD | CAC | CAB | 0.3° | 0.0° |
| CAD | CAE | CAF | CAA | 0.7° | 0.0° |
| CAD | CAE | CAF | OAH | 178.8° | 179.9° |
| CAD | CAE | OAH | CAI | 119.4° | 3.5° |
| CAE | CAD | CAC | HAC | 179.7° | 180.0° |
| CAD | CAE | CAF | HAF | 179.3° | 180.0° |
| CAC | CAB | CLAG | CAA | 179.2° | 180.0° |
| CAC | CAB | CAA | CAF | 0.1° | 0.1° |
| CAB | CAC | CAD | HAD | 179.7° | 179.7° |
| CAC | CAB | CAA | HAA | 179.9° | 180.0° |
| CLAG | CAB | CAA | CAF | 179.3° | 180.0° |
| CLAG | CAB | CAC | HAC | 1.2° | 0.0° |
| CLAG | CAB | CAA | HAA | 0.7° | 0.0° |
| CAB | CAA | CAF | HAA | 180.0° | 179.9° |
| CAB | CAA | CAF | CAE | 0.6° | 0.1° |
| CAA | CAB | CAC | HAC | 179.6° | 180.0° |
| CAB | CAA | CAF | HAF | 179.4° | 180.0° |
| CAA | CAF | CAE | HAF | 180.0° | 180.0° |
| CAA | CAF | CAE | OAH | 179.5° | 179.9° |
| CAF | CAE | OAH | CAI | 61.8° | 176.5° |
| CAF | CAE | CAD | HAD | 179.8° | 179.7° |
| CAE | CAF | CAA | HAA | 179.3° | 180.0° |
| CAE | OAH | CAI | CAN | 59.8° | 79.0° |
| CAE | OAH | CAI | CAJ | 123.2° | 101.3° |
| OAH | CAE | CAD | HAD | 1.0° | 0.2° |
| OAH | CAE | CAF | HAF | 0.5° | 0.0° |
| OAH | CAI | CAN | CAJ | 177.0° | 179.7° |
| OAH | CAI | CAN | CAM | 178.1° | 180.0° |
| OAH | CAI | CAJ | CAK | 177.7° | 180.0° |
| OAH | CAI | CAN | HAN | 1.9° | 0.1° |
| OAH | CAI | CAJ | HAJ | 2.3° | 0.0° |
| CAI | CAN | CAM | HAN | 180.0° | 180.0° |
| CAI | CAN | CAM | CAL | 0.5° | 0.0° |
| CAN | CAI | CAJ | CAK | 0.6° | 0.3° |
| CAI | CAN | CAM | HAM | 179.6° | 179.9° |
| CAN | CAI | CAJ | HAJ | 179.4° | 179.7° |
| CAJ | CAI | CAN | CAM | 1.1° | 0.3° |
| CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAL | 0.6° | 0.0° |
| CAJ | CAI | CAN | HAN | 178.9° | 179.8° |
| CAI | CAJ | CAK | HAK | 179.5° | 180.0° |
| CAN | CAM | CAL | HAM | 180.0° | 180.0° |
| CAN | CAM | CAL | CAK | 0.7° | 0.2° |
| CAN | CAM | CAL | OAO | 179.6° | 180.0° |
| CAM | CAL | CAK | CAJ | 1.2° | 0.2° |
| CAM | CAL | CAK | OAO | 179.0° | 179.8° |
| CAM | CAL | OAO | CAP | 26.9° | 180.0° |
| CAL | CAM | CAN | HAN | 179.5° | 180.0° |
| CAM | CAL | CAK | HAK | 178.8° | 179.8° |
| CAJ | CAK | CAL | HAK | 180.0° | 180.0° |
| CAJ | CAK | CAL | OAO | 179.8° | 180.0° |
| CAK | CAL | OAO | CAP | 154.1° | 0.2° |
| CAK | CAL | CAM | HAM | 179.3° | 179.8° |
| CAL | CAK | CAJ | HAJ | 179.4° | 179.9° |
| CAL | OAO | CAP | CAQ | 162.8° | 180.0° |
| OAO | CAL | CAM | HAM | 0.3° | 0.0° |
| OAO | CAL | CAK | HAK | 0.2° | 0.0° |
| CAL | OAO | CAP | HAP | 42.8° | 60.0° |
| CAL | OAO | CAP | HAPA | 73.3° | 60.0° |
| OAO | CAP | CAQ | HAP | 120.0° | 119.9° |
| OAO | CAP | CAQ | HAPA | 123.9° | 120.0° |
| OAO | CAP | CAQ | CAR | 66.3° | 56.8° |
| OAO | CAP | CAQ | NAU | 173.1° | 174.5° |
| OAO | CAP | HAP | HAPA | 124.7° | 120.0° |
| OAO | CAP | CAQ | HAQ | 54.4° | 64.3° |
| CAP | CAQ | CAR | NAU | 125.1° | 119.4° |
| CAP | CAQ | CAR | HAQ | 115.7° | 121.0° |
| CAP | CAQ | NAU | HAQ | 115.5° | 121.1° |
| CAP | CAQ | CAR | CAS | 146.3° | 141.7° |
| CAP | CAQ | NAU | CAT | 118.5° | 118.4° |
| CAP | CAQ | NAU | CAV | 5.3° | 3.9° |
| CAQ | CAP | HAP | HAPA | 124.7° | 120.0° |
| CAP | CAQ | CAR | HAR | 26.3° | 23.3° |
| CAP | CAQ | CAR | HARA | 91.2° | 100.0° |
| CAR | CAQ | NAU | HAQ | 121.0° | 119.5° |
| CAQ | CAR | CAS | HAR | 120.0° | 118.4° |
| CAQ | CAR | CAS | HARA | 122.5° | 118.4° |
| CAQ | CAR | CAS | CAT | 38.8° | 35.7° |
| CAR | CAQ | NAU | CAT | 5.0° | 1.0° |
| CAR | CAQ | NAU | CAV | 128.8° | 123.2° |
| CAR | CAQ | CAP | HAP | 173.7° | 176.7° |
| CAR | CAQ | CAP | HAPA | 57.5° | 63.3° |
| CAQ | CAR | HAR | HARA | 122.7° | 123.2° |
| CAQ | CAR | CAS | HAS | 158.7° | 153.8° |
| CAQ | CAR | CAS | HASA | 83.7° | 82.4° |
| NAU | CAQ | CAR | CAS | 21.2° | 22.3° |
| CAQ | NAU | CAT | CAS | 29.2° | 24.1° |
| CAQ | NAU | CAT | CAV | 125.8° | 122.3° |
| CAQ | NAU | CAV | CAW | 152.0° | 172.4° |
| NAU | CAQ | CAP | HAP | 53.1° | 65.5° |
| NAU | CAQ | CAP | HAPA | 63.1° | 54.5° |
| NAU | CAQ | CAR | HAR | 98.8° | 96.1° |
| NAU | CAQ | CAR | HARA | 143.6° | 140.6° |
| CAQ | NAU | CAT | HAT | 90.8° | 94.8° |
| CAQ | NAU | CAT | HATA | 151.5° | 142.9° |
| CAQ | NAU | CAV | HAV | 32.0° | 52.4° |
| CAQ | NAU | CAV | HAVA | 86.9° | 67.6° |
| CAR | CAS | CAT | HAS | 120.0° | 118.1° |
| CAR | CAS | CAT | HASA | 122.5° | 118.1° |
| CAR | CAS | CAT | NAU | 42.3° | 37.1° |
| CAS | CAR | CAQ | HAQ | 98.0° | 97.3° |
| CAS | CAR | HAR | HARA | 122.7° | 123.1° |
| CAR | CAS | HAS | HASA | 122.8° | 123.8° |
| CAR | CAS | CAT | HAT | 77.7° | 81.8° |
| CAR | CAS | CAT | HATA | 164.7° | 155.9° |
| CAS | CAT | NAU | HAT | 120.0° | 118.9° |
| CAS | CAT | NAU | HATA | 122.4° | 118.8° |
| CAS | CAT | NAU | CAV | 155.0° | 146.4° |
| CAT | CAS | CAR | HAR | 81.3° | 82.8° |
| CAT | CAS | CAR | HARA | 161.2° | 154.1° |
| CAT | CAS | HAS | HASA | 122.8° | 123.9° |
| CAS | CAT | HAT | HATA | 122.6° | 122.2° |
| CAT | NAU | CAV | CAW | 86.4° | 66.8° |
| CAT | NAU | CAQ | HAQ | 126.0° | 120.5° |
| NAU | CAT | CAS | HAS | 162.3° | 155.2° |
| NAU | CAT | CAS | HASA | 80.1° | 81.0° |
| NAU | CAT | HAT | HATA | 122.6° | 122.3° |
| CAT | NAU | CAV | HAV | 153.6° | 173.2° |
| CAT | NAU | CAV | HAVA | 34.7° | 53.2° |
| NAU | CAV | CAW | HAV | 120.0° | 120.0° |
| NAU | CAV | CAW | HAVA | 121.1° | 119.9° |
| NAU | CAV | CAW | CAX | 105.1° | 180.0° |
| CAV | NAU | CAQ | HAQ | 110.2° | 117.2° |
| CAV | NAU | CAT | HAT | 35.0° | 27.5° |
| CAV | NAU | CAT | HATA | 82.7° | 94.8° |
| NAU | CAV | HAV | HAVA | 121.2° | 120.0° |
| NAU | CAV | CAW | HAW | 14.9° | 60.0° |
| NAU | CAV | CAW | HAWA | 134.7° | 60.0° |
| CAV | CAW | CAX | HAW | 120.0° | 120.0° |
| CAV | CAW | CAX | HAWA | 120.3° | 120.0° |
| CAV | CAW | CAX | CAY | 73.2° | 180.0° |
| CAW | CAV | HAV | HAVA | 121.1° | 120.1° |
| CAV | CAW | HAW | HAWA | 120.3° | 120.1° |
| CAV | CAW | CAX | HAX | 46.8° | 60.0° |
| CAV | CAW | CAX | HAXA | 167.9° | 60.0° |
| CAW | CAX | CAY | HAX | 120.0° | 120.0° |
| CAW | CAX | CAY | HAXA | 118.9° | 120.0° |
| CAW | CAX | CAY | OBA | 24.5° | 0.0° |
| CAW | CAX | CAY | OAZ | 159.1° | 180.0° |
| CAX | CAW | CAV | HAV | 134.9° | 60.0° |
| CAX | CAW | CAV | HAVA | 16.0° | 60.1° |
| CAX | CAW | HAW | HAWA | 120.2° | 120.0° |
| CAW | CAX | HAX | HAXA | 118.9° | 120.0° |
| CAX | CAY | OBA | OAZ | 176.0° | 180.0° |
| CAY | CAX | CAW | HAW | 166.8° | 60.0° |
| CAY | CAX | CAW | HAWA | 47.1° | 60.0° |
| CAY | CAX | HAX | HAXA | 118.9° | 120.0° |
| OBA | CAY | CAX | HAX | 144.5° | 120.0° |
| OBA | CAY | CAX | HAXA | 94.4° | 120.0° |
| OAZ | CAY | CAX | HAX | 39.1° | 60.0° |
| OAZ | CAY | CAX | HAXA | 82.1° | 60.0° |
| HAD | CAD | CAC | HAC | 0.3° | 0.3° |
| HAA | CAA | CAF | HAF | 0.7° | 0.0° |
| HAN | CAN | CAM | HAM | 0.4° | 0.0° |
| HAJ | CAJ | CAK | HAK | 0.6° | 0.1° |
| HAP | CAP | CAQ | HAQ | 65.6° | 55.6° |
| HAPA | CAP | CAQ | HAQ | 178.2° | 175.7° |
| HAQ | CAQ | CAR | HAR | 142.0° | 144.3° |
| HAQ | CAQ | CAR | HARA | 24.5° | 21.1° |
| HAR | CAR | CAS | HAS | 38.7° | 35.3° |
| HAR | CAR | CAS | HASA | 156.3° | 159.1° |
| HARA | CAR | CAS | HAS | 78.8° | 87.8° |
| HARA | CAR | CAS | HASA | 38.8° | 36.0° |
| HAS | CAS | CAT | HAT | 42.3° | 36.3° |
| HAS | CAS | CAT | HATA | 75.3° | 86.0° |
| HASA | CAS | CAT | HAT | 159.9° | 160.1° |
| HASA | CAS | CAT | HATA | 42.2° | 37.8° |
| HAV | CAV | CAW | HAW | 105.1° | 180.0° |
| HAV | CAV | CAW | HAWA | 14.6° | 60.0° |
| HAVA | CAV | CAW | HAW | 136.0° | 59.9° |
| HAVA | CAV | CAW | HAWA | 104.3° | 179.9° |
| HAW | CAW | CAX | HAX | 73.2° | 180.0° |
| HAW | CAW | CAX | HAXA | 47.9° | 60.0° |
| HAWA | CAW | CAX | HAX | 167.1° | 60.0° |
| HAWA | CAW | CAX | HAXA | 71.8° | 179.9° |
