7MP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAH | doub | 1.22Å | 1.26Å | |
| CAH | NAG | sing | 1.33Å | 1.45Å | Aromatic |
| CAH | NAI | sing | 1.34Å | 1.35Å | Aromatic |
| NAG | CAT | sing | 1.46Å | 1.46Å | |
| NAG | C4 | doub | 1.33Å | 1.43Å | Aromatic |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT2 | sing | 1.09Å | 1.10Å | |
| CAT | HAT3 | sing | 1.09Å | 1.10Å | |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | NAS | sing | 1.38Å | 1.35Å | |
| C2 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| NAS | HAS1 | sing | 0.97Å | 1.00Å | |
| NAS | HAS2 | sing | 0.97Å | 1.00Å | |
| N1 | C6 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | CAJ | doub | 1.39Å | 1.27Å | Aromatic |
| CAJ | NAI | sing | 1.35Å | 1.28Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAI | CAL | sing | 1.40Å | 1.41Å | Aromatic |
| CAL | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.51Å | 1.51Å | |
| CAQ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR3 | sing | 1.09Å | 1.10Å | |
| CAP | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAO | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAM | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | NAU | sing | 1.40Å | 1.36Å | |
| NAU | CAV | sing | 1.35Å | 1.33Å | |
| NAU | HNAU | sing | 0.97Å | 1.00Å | |
| CAV | OAW | doub | 1.22Å | 1.23Å | |
| CAV | CAX | sing | 1.48Å | 1.50Å | |
| CAX | CBC | sing | 1.40Å | 1.39Å | Aromatic |
| CAX | CAY | doub | 1.40Å | 1.40Å | Aromatic |
| CBC | CBB | doub | 1.38Å | 1.39Å | Aromatic |
| CBC | HBC | sing | 1.08Å | 1.08Å | |
| CAY | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAZ | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CBA | CBB | sing | 1.38Å | 1.40Å | Aromatic |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CBB | CBD | sing | 1.51Å | 1.50Å | |
| CBD | FBE | sing | 1.40Å | 1.32Å | |
| CBD | FBF | sing | 1.40Å | 1.32Å | |
| CBD | FBG | sing | 1.40Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAH | NAG | 121.8° | 118.5° |
| OAK | CAH | NAI | 120.9° | 118.5° |
| NAG | CAH | NAI | 117.4° | 123.0° |
| CAH | NAG | CAT | 119.7° | 119.9° |
| CAH | NAG | C4 | 122.0° | 120.2° |
| CAH | NAI | CAJ | 107.3° | 121.7° |
| CAH | NAI | CAL | 122.6° | 119.2° |
| CAT | NAG | C4 | 118.2° | 119.9° |
| NAG | CAT | HAT1 | 109.5° | 109.5° |
| NAG | CAT | HAT2 | 109.5° | 109.5° |
| NAG | CAT | HAT3 | 109.5° | 109.5° |
| NAG | C4 | N3 | 122.9° | 123.3° |
| NAG | C4 | C5 | 117.9° | 118.6° |
| HAT1 | CAT | HAT2 | 109.5° | 109.4° |
| HAT1 | CAT | HAT3 | 109.5° | 109.5° |
| HAT2 | CAT | HAT3 | 109.4° | 109.5° |
| N3 | C4 | C5 | 119.2° | 118.1° |
| C4 | N3 | C2 | 119.2° | 120.0° |
| C4 | C5 | C6 | 122.1° | 118.1° |
| C4 | C5 | CAJ | 105.6° | 118.5° |
| N3 | C2 | NAS | 117.5° | 118.2° |
| N3 | C2 | N1 | 121.7° | 123.5° |
| NAS | C2 | N1 | 120.8° | 118.2° |
| C2 | NAS | HAS1 | 125.2° | 120.0° |
| C2 | NAS | HAS2 | 109.6° | 120.0° |
| C2 | N1 | C6 | 121.2° | 122.2° |
| HAS1 | NAS | HAS2 | 125.2° | 120.0° |
| N1 | C6 | C5 | 116.6° | 118.1° |
| N1 | C6 | H6 | 121.7° | 121.0° |
| C5 | C6 | H6 | 121.7° | 120.9° |
| C6 | C5 | CAJ | 132.4° | 123.4° |
| C5 | CAJ | NAI | 149.8° | 118.1° |
| C5 | CAJ | HAJ | 105.1° | 121.0° |
| NAI | CAJ | HAJ | 105.1° | 120.9° |
| CAJ | NAI | CAL | 130.0° | 119.1° |
| NAI | CAL | CAQ | 119.4° | 120.0° |
| NAI | CAL | CAM | 120.5° | 120.0° |
| CAQ | CAL | CAM | 120.0° | 119.9° |
| CAL | CAQ | CAR | 121.8° | 119.9° |
| CAL | CAQ | CAP | 119.9° | 120.1° |
| CAL | CAM | CAN | 119.9° | 119.9° |
| CAL | CAM | HAM | 120.0° | 120.1° |
| CAR | CAQ | CAP | 118.3° | 120.0° |
| CAQ | CAR | HAR1 | 109.5° | 109.5° |
| CAQ | CAR | HAR2 | 109.4° | 109.5° |
| CAQ | CAR | HAR3 | 109.5° | 109.5° |
| CAQ | CAP | CAO | 120.1° | 120.1° |
| CAQ | CAP | HAP | 119.9° | 119.9° |
| HAR1 | CAR | HAR2 | 109.5° | 109.5° |
| HAR1 | CAR | HAR3 | 109.4° | 109.4° |
| HAR2 | CAR | HAR3 | 109.5° | 109.5° |
| CAO | CAP | HAP | 120.0° | 119.9° |
| CAP | CAO | CAN | 120.4° | 120.1° |
| CAP | CAO | HAO | 119.8° | 120.0° |
| CAN | CAO | HAO | 119.8° | 119.9° |
| CAO | CAN | CAM | 119.6° | 119.9° |
| CAO | CAN | NAU | 117.0° | 120.0° |
| CAN | CAM | HAM | 120.0° | 120.1° |
| CAM | CAN | NAU | 123.3° | 120.0° |
| CAN | NAU | CAV | 128.0° | 120.0° |
| CAN | NAU | HNAU | 116.0° | 120.1° |
| CAV | NAU | HNAU | 116.0° | 120.0° |
| NAU | CAV | OAW | 123.6° | 120.0° |
| NAU | CAV | CAX | 116.9° | 120.0° |
| OAW | CAV | CAX | 119.5° | 120.0° |
| CAV | CAX | CBC | 118.7° | 120.1° |
| CAV | CAX | CAY | 121.6° | 120.2° |
| CBC | CAX | CAY | 119.6° | 119.7° |
| CAX | CBC | CBB | 120.6° | 119.8° |
| CAX | CBC | HBC | 119.7° | 120.1° |
| CAX | CAY | CAZ | 120.0° | 119.9° |
| CAX | CAY | HAY | 120.0° | 120.1° |
| CBB | CBC | HBC | 119.7° | 120.1° |
| CBC | CBB | CBA | 119.8° | 120.1° |
| CBC | CBB | CBD | 118.7° | 119.9° |
| CAZ | CAY | HAY | 120.0° | 120.1° |
| CAY | CAZ | CBA | 120.2° | 120.1° |
| CAY | CAZ | HAZ | 119.9° | 120.0° |
| CBA | CAZ | HAZ | 119.9° | 120.0° |
| CAZ | CBA | CBB | 119.8° | 120.4° |
| CAZ | CBA | HBA | 120.1° | 119.8° |
| CBB | CBA | HBA | 120.1° | 119.8° |
| CBA | CBB | CBD | 121.5° | 120.0° |
| CBB | CBD | FBE | 109.0° | 109.5° |
| CBB | CBD | FBF | 110.5° | 109.5° |
| CBB | CBD | FBG | 110.2° | 109.5° |
| FBE | CBD | FBF | 108.9° | 109.5° |
| FBE | CBD | FBG | 109.4° | 109.4° |
| FBF | CBD | FBG | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAH | NAG | NAI | 179.7° | 179.5° |
| OAK | CAH | NAG | CAT | 0.5° | 0.2° |
| OAK | CAH | NAG | C4 | 179.3° | 180.0° |
| OAK | CAH | NAI | CAJ | 179.3° | 180.0° |
| OAK | CAH | NAI | CAL | 0.9° | 0.2° |
| CAH | NAG | CAT | C4 | 179.8° | 179.8° |
| CAH | NAG | CAT | HAT1 | 69.9° | 89.8° |
| CAH | NAG | CAT | HAT2 | 170.1° | 30.2° |
| CAH | NAG | CAT | HAT3 | 50.2° | 150.2° |
| CAH | NAG | C4 | N3 | 179.9° | 179.8° |
| CAH | NAG | C4 | C5 | 0.2° | 0.3° |
| NAG | CAH | NAI | CAJ | 0.4° | 0.5° |
| NAG | CAH | NAI | CAL | 178.8° | 179.7° |
| NAI | CAH | NAG | CAT | 179.8° | 179.7° |
| NAI | CAH | NAG | C4 | 0.4° | 0.5° |
| CAH | NAI | CAJ | C5 | 0.5° | 0.2° |
| CAH | NAI | CAJ | CAL | 178.2° | 179.8° |
| CAH | NAI | CAJ | HAJ | 179.5° | 179.8° |
| CAH | NAI | CAL | CAQ | 85.6° | 89.2° |
| CAH | NAI | CAL | CAM | 92.0° | 90.2° |
| NAG | CAT | HAT1 | HAT2 | 120.0° | 120.0° |
| NAG | CAT | HAT1 | HAT3 | 120.0° | 120.0° |
| NAG | CAT | HAT2 | HAT3 | 120.0° | 120.0° |
| CAT | NAG | C4 | N3 | 0.1° | 0.0° |
| CAT | NAG | C4 | C5 | 180.0° | 179.9° |
| C4 | NAG | CAT | HAT1 | 110.3° | 90.0° |
| C4 | NAG | CAT | HAT2 | 9.7° | 150.0° |
| C4 | NAG | CAT | HAT3 | 129.7° | 30.0° |
| NAG | C4 | N3 | C5 | 179.9° | 180.0° |
| NAG | C4 | N3 | C2 | 179.8° | 180.0° |
| NAG | C4 | C5 | C6 | 179.9° | 180.0° |
| NAG | C4 | C5 | CAJ | 0.1° | 0.0° |
| HAT1 | CAT | HAT2 | HAT3 | 120.0° | 120.0° |
| C4 | N3 | C2 | NAS | 179.7° | 180.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.1° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | CAJ | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.0° |
| C4 | C5 | C6 | CAJ | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C4 | C5 | CAJ | NAI | 0.3° | 0.0° |
| C4 | C5 | CAJ | HAJ | 179.7° | 179.9° |
| N3 | C2 | NAS | N1 | 179.5° | 180.0° |
| N3 | C2 | NAS | HAS1 | 0.0° | 180.0° |
| N3 | C2 | NAS | HAS2 | 180.0° | 0.0° |
| N3 | C2 | N1 | C6 | 0.5° | 0.1° |
| C2 | NAS | HAS1 | HAS2 | 180.0° | 180.0° |
| NAS | C2 | N1 | C6 | 179.9° | 180.0° |
| N1 | C2 | NAS | HAS1 | 179.6° | 0.0° |
| N1 | C2 | NAS | HAS2 | 0.4° | 180.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| C2 | N1 | C6 | H6 | 179.5° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | CAJ | 179.7° | 180.0° |
| C6 | C5 | CAJ | NAI | 179.6° | 180.0° |
| C6 | C5 | CAJ | HAJ | 0.4° | 0.0° |
| H6 | C6 | C5 | CAJ | 0.3° | 0.0° |
| C5 | CAJ | NAI | HAJ | 180.0° | 180.0° |
| C5 | CAJ | NAI | CAL | 178.7° | 180.0° |
| CAJ | NAI | CAL | CAQ | 92.4° | 90.6° |
| CAJ | NAI | CAL | CAM | 90.1° | 90.0° |
| HAJ | CAJ | NAI | CAL | 1.3° | 0.1° |
| NAI | CAL | CAQ | CAM | 177.6° | 179.3° |
| NAI | CAL | CAQ | CAR | 2.3° | 0.4° |
| NAI | CAL | CAQ | CAP | 178.7° | 180.0° |
| NAI | CAL | CAM | CAN | 178.7° | 180.0° |
| NAI | CAL | CAM | HAM | 1.3° | 0.3° |
| CAL | CAQ | CAR | CAP | 179.0° | 179.6° |
| CAL | CAQ | CAR | HAR1 | 97.5° | 90.4° |
| CAL | CAQ | CAR | HAR2 | 142.5° | 29.7° |
| CAL | CAQ | CAR | HAR3 | 22.5° | 149.7° |
| CAL | CAQ | CAP | CAO | 0.7° | 0.3° |
| CAL | CAQ | CAP | HAP | 179.3° | 179.7° |
| CAQ | CAL | CAM | CAN | 1.2° | 0.6° |
| CAQ | CAL | CAM | HAM | 178.8° | 179.7° |
| CAM | CAL | CAQ | CAR | 179.8° | 179.7° |
| CAM | CAL | CAQ | CAP | 1.2° | 0.6° |
| CAL | CAM | CAN | CAO | 0.7° | 0.3° |
| CAL | CAM | CAN | HAM | 180.0° | 179.7° |
| CAL | CAM | CAN | NAU | 179.3° | 179.7° |
| CAQ | CAR | HAR1 | HAR2 | 120.0° | 120.0° |
| CAQ | CAR | HAR1 | HAR3 | 120.0° | 120.0° |
| CAQ | CAR | HAR2 | HAR3 | 120.0° | 120.0° |
| CAR | CAQ | CAP | CAO | 179.7° | 180.0° |
| CAR | CAQ | CAP | HAP | 0.3° | 0.1° |
| CAP | CAQ | CAR | HAR1 | 81.5° | 90.0° |
| CAP | CAQ | CAR | HAR2 | 38.5° | 150.0° |
| CAP | CAQ | CAR | HAR3 | 158.5° | 30.0° |
| CAQ | CAP | CAO | HAP | 180.0° | 179.9° |
| CAQ | CAP | CAO | CAN | 0.2° | 0.0° |
| CAQ | CAP | CAO | HAO | 179.8° | 180.0° |
| HAR1 | CAR | HAR2 | HAR3 | 120.0° | 120.0° |
| CAP | CAO | CAN | HAO | 180.0° | 180.0° |
| CAP | CAO | CAN | CAM | 0.2° | 0.0° |
| CAP | CAO | CAN | NAU | 179.8° | 180.0° |
| HAP | CAP | CAO | CAN | 179.8° | 180.0° |
| HAP | CAP | CAO | HAO | 0.2° | 0.1° |
| CAO | CAN | CAM | NAU | 180.0° | 179.9° |
| CAO | CAN | CAM | HAM | 179.3° | 180.0° |
| CAO | CAN | NAU | CAV | 179.7° | 142.2° |
| CAO | CAN | NAU | HNAU | 0.3° | 37.8° |
| HAO | CAO | CAN | CAM | 179.8° | 180.0° |
| HAO | CAO | CAN | NAU | 0.2° | 0.1° |
| CAM | CAN | NAU | CAV | 0.3° | 37.9° |
| CAM | CAN | NAU | HNAU | 179.7° | 142.2° |
| HAM | CAM | CAN | NAU | 0.7° | 0.0° |
| CAN | NAU | CAV | HNAU | 180.0° | 179.9° |
| CAN | NAU | CAV | OAW | 0.2° | 5.5° |
| CAN | NAU | CAV | CAX | 179.7° | 174.5° |
| NAU | CAV | OAW | CAX | 179.4° | 180.0° |
| NAU | CAV | CAX | CBC | 139.1° | 179.7° |
| NAU | CAV | CAX | CAY | 40.2° | 0.0° |
| HNAU | NAU | CAV | OAW | 179.8° | 174.4° |
| HNAU | NAU | CAV | CAX | 0.3° | 5.6° |
| OAW | CAV | CAX | CBC | 40.4° | 0.3° |
| OAW | CAV | CAX | CAY | 140.3° | 180.0° |
| CAV | CAX | CBC | CAY | 179.3° | 179.7° |
| CAV | CAX | CBC | CBB | 179.4° | 179.8° |
| CAV | CAX | CBC | HBC | 0.6° | 0.2° |
| CAV | CAX | CAY | CAZ | 180.0° | 180.0° |
| CAV | CAX | CAY | HAY | 0.1° | 0.1° |
| CAX | CBC | CBB | HBC | 180.0° | 179.5° |
| CBC | CAX | CAY | CAZ | 0.7° | 0.3° |
| CBC | CAX | CAY | HAY | 179.3° | 179.8° |
| CAX | CBC | CBB | CBA | 1.0° | 0.5° |
| CAX | CBC | CBB | CBD | 179.0° | 179.8° |
| CAY | CAX | CBC | CBB | 1.3° | 0.5° |
| CAY | CAX | CBC | HBC | 178.7° | 179.9° |
| CAX | CAY | CAZ | HAY | 180.0° | 180.0° |
| CAX | CAY | CAZ | CBA | 0.2° | 0.0° |
| CAX | CAY | CAZ | HAZ | 179.8° | 180.0° |
| CBC | CBB | CBA | CAZ | 0.0° | 0.3° |
| CBC | CBB | CBA | CBD | 180.0° | 179.7° |
| CBC | CBB | CBA | HBA | 180.0° | 179.8° |
| CBC | CBB | CBD | FBE | 68.5° | 179.8° |
| CBC | CBB | CBD | FBF | 171.9° | 59.7° |
| CBC | CBB | CBD | FBG | 51.5° | 60.3° |
| HBC | CBC | CBB | CBA | 179.0° | 179.9° |
| HBC | CBC | CBB | CBD | 1.0° | 0.2° |
| CAY | CAZ | CBA | HAZ | 180.0° | 180.0° |
| CAY | CAZ | CBA | CBB | 0.5° | 0.0° |
| CAY | CAZ | CBA | HBA | 179.5° | 180.0° |
| HAY | CAY | CAZ | CBA | 179.8° | 180.0° |
| HAY | CAY | CAZ | HAZ | 0.2° | 0.0° |
| CAZ | CBA | CBB | HBA | 180.0° | 180.0° |
| CAZ | CBA | CBB | CBD | 180.0° | 180.0° |
| HAZ | CAZ | CBA | CBB | 179.5° | 180.0° |
| HAZ | CAZ | CBA | HBA | 0.6° | 0.0° |
| CBA | CBB | CBD | FBE | 111.5° | 0.1° |
| CBA | CBB | CBD | FBF | 8.1° | 120.0° |
| CBA | CBB | CBD | FBG | 128.5° | 120.0° |
| HBA | CBA | CBB | CBD | 0.0° | 0.1° |
| CBB | CBD | FBE | FBF | 120.6° | 120.0° |
| CBB | CBD | FBE | FBG | 120.5° | 119.9° |
| CBB | CBD | FBF | FBG | 121.1° | 120.0° |
| FBE | CBD | FBF | FBG | 119.2° | 120.0° |
