7MR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.09Å | 1.08Å | |
| CAH | CAG | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.09Å | 1.08Å | |
| CAG | CAR | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.09Å | 1.08Å | |
| CAR | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | HAR | sing | 1.09Å | 1.08Å | |
| CAS | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | HAS | sing | 1.09Å | 1.08Å | |
| CAT | OAU | sing | 1.38Å | 1.36Å | |
| OAU | CAV | sing | 1.36Å | 1.36Å | |
| CAV | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.09Å | 1.08Å | |
| CAK | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.09Å | 1.08Å | |
| CAW | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | HAW | sing | 1.09Å | 1.08Å | |
| CAX | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | HAX | sing | 1.09Å | 1.08Å | |
| CAL | SAM | sing | 1.77Å | 1.75Å | |
| SAM | CAN | sing | 1.77Å | 1.83Å | |
| SAM | OAC | doub | 1.45Å | 1.50Å | |
| SAM | OAY | doub | 1.45Å | 1.50Å | |
| CAN | CAO | sing | 1.54Å | 1.53Å | |
| CAN | HAN1 | sing | 1.10Å | 1.10Å | |
| CAN | HAN2 | sing | 1.10Å | 1.10Å | |
| CAO | CAP | sing | 1.53Å | 1.53Å | |
| CAO | CAE | sing | 1.54Å | 1.53Å | |
| CAO | NAZ | sing | 1.47Å | 1.47Å | |
| CAP | FBA | sing | 1.35Å | 1.33Å | |
| CAP | FAF | sing | 1.35Å | 1.33Å | |
| CAP | FAQ | sing | 1.35Å | 1.33Å | |
| NAZ | HAZ1 | sing | 0.99Å | 1.00Å | |
| NAZ | HAZ2 | sing | 0.99Å | 1.00Å | |
| CAE | NAD | sing | 1.37Å | 1.33Å | |
| CAE | OAB | doub | 1.23Å | 1.23Å | |
| NAD | OAA | sing | 1.40Å | 1.42Å | |
| NAD | HNAD | sing | 1.01Å | 1.00Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAI | CAH | 119.9° | 119.2° |
| CAT | CAI | HAI | 120.0° | 121.2° |
| CAI | CAT | CAS | 119.8° | 121.7° |
| CAI | CAT | OAU | 120.5° | 119.1° |
| CAH | CAI | HAI | 120.1° | 119.6° |
| CAI | CAH | CAG | 120.2° | 120.0° |
| CAI | CAH | HAH | 119.9° | 120.1° |
| CAG | CAH | HAH | 119.9° | 120.0° |
| CAH | CAG | CAR | 119.9° | 120.0° |
| CAH | CAG | HAG | 120.0° | 120.0° |
| CAR | CAG | HAG | 120.0° | 120.0° |
| CAG | CAR | CAS | 119.9° | 120.0° |
| CAG | CAR | HAR | 120.1° | 120.0° |
| CAS | CAR | HAR | 120.0° | 120.0° |
| CAR | CAS | CAT | 120.3° | 119.1° |
| CAR | CAS | HAS | 119.8° | 119.6° |
| CAT | CAS | HAS | 119.9° | 121.2° |
| CAS | CAT | OAU | 119.6° | 119.1° |
| CAT | OAU | CAV | 117.1° | 117.7° |
| OAU | CAV | CAW | 118.4° | 120.0° |
| OAU | CAV | CAJ | 122.1° | 120.0° |
| CAW | CAV | CAJ | 119.4° | 120.0° |
| CAV | CAW | CAX | 120.4° | 120.0° |
| CAV | CAW | HAW | 119.8° | 120.3° |
| CAV | CAJ | CAK | 120.3° | 120.0° |
| CAV | CAJ | HAJ | 119.9° | 120.4° |
| CAK | CAJ | HAJ | 119.8° | 119.6° |
| CAJ | CAK | CAL | 120.1° | 119.2° |
| CAJ | CAK | HAK | 120.0° | 119.4° |
| CAL | CAK | HAK | 119.9° | 121.4° |
| CAK | CAL | CAX | 119.8° | 121.6° |
| CAK | CAL | SAM | 119.8° | 119.2° |
| CAX | CAW | HAW | 119.8° | 119.7° |
| CAW | CAX | CAL | 120.0° | 119.2° |
| CAW | CAX | HAX | 120.0° | 119.4° |
| CAL | CAX | HAX | 120.0° | 121.4° |
| CAX | CAL | SAM | 120.4° | 119.2° |
| CAL | SAM | CAN | 110.9° | 104.0° |
| CAL | SAM | OAC | 109.7° | 108.0° |
| CAL | SAM | OAY | 108.4° | 107.0° |
| CAN | SAM | OAC | 109.9° | 107.7° |
| CAN | SAM | OAY | 108.6° | 108.8° |
| SAM | CAN | CAO | 115.9° | 114.7° |
| SAM | CAN | HAN1 | 107.4° | 105.3° |
| SAM | CAN | HAN2 | 105.9° | 106.0° |
| OAC | SAM | OAY | 109.4° | 120.3° |
| CAO | CAN | HAN1 | 107.4° | 112.0° |
| CAO | CAN | HAN2 | 105.9° | 111.2° |
| CAN | CAO | CAP | 110.0° | 112.0° |
| CAN | CAO | CAE | 110.8° | 112.6° |
| CAN | CAO | NAZ | 109.0° | 108.6° |
| HAN1 | CAN | HAN2 | 114.7° | 107.2° |
| CAP | CAO | CAE | 109.0° | 110.7° |
| CAP | CAO | NAZ | 108.7° | 106.8° |
| CAO | CAP | FBA | 109.9° | 111.3° |
| CAO | CAP | FAF | 109.5° | 112.1° |
| CAO | CAP | FAQ | 109.8° | 111.6° |
| CAE | CAO | NAZ | 109.2° | 105.7° |
| CAO | CAE | NAD | 115.0° | 114.1° |
| CAO | CAE | OAB | 121.2° | 122.2° |
| CAO | NAZ | HAZ1 | 109.5° | 117.5° |
| CAO | NAZ | HAZ2 | 109.5° | 117.4° |
| FBA | CAP | FAF | 109.1° | 107.3° |
| FBA | CAP | FAQ | 109.6° | 107.2° |
| FAF | CAP | FAQ | 108.9° | 107.0° |
| HAZ1 | NAZ | HAZ2 | 109.5° | 123.7° |
| NAD | CAE | OAB | 123.8° | 123.7° |
| CAE | NAD | OAA | 119.9° | 115.7° |
| CAE | NAD | HNAD | 120.1° | 122.2° |
| OAA | NAD | HNAD | 120.1° | 122.1° |
| NAD | OAA | HOAA | 109.5° | 100.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAI | CAH | HAI | 180.0° | 179.9° |
| CAT | CAI | CAH | CAG | 0.1° | 0.0° |
| CAT | CAI | CAH | HAH | 179.9° | 180.0° |
| CAI | CAT | CAS | CAR | 0.4° | 0.1° |
| CAI | CAT | CAS | OAU | 176.5° | 180.0° |
| CAI | CAT | CAS | HAS | 179.6° | 179.9° |
| CAI | CAT | OAU | CAV | 93.6° | 45.0° |
| CAI | CAH | CAG | HAH | 180.0° | 180.0° |
| CAI | CAH | CAG | CAR | 0.2° | 0.0° |
| CAI | CAH | CAG | HAG | 179.8° | 179.9° |
| CAH | CAI | CAT | CAS | 0.4° | 0.0° |
| CAH | CAI | CAT | OAU | 176.1° | 180.0° |
| HAI | CAI | CAH | CAG | 179.9° | 179.9° |
| HAI | CAI | CAH | HAH | 0.1° | 0.1° |
| HAI | CAI | CAT | CAS | 179.6° | 179.9° |
| HAI | CAI | CAT | OAU | 4.0° | 0.0° |
| CAH | CAG | CAR | HAG | 180.0° | 180.0° |
| CAH | CAG | CAR | CAS | 0.2° | 0.0° |
| CAH | CAG | CAR | HAR | 179.8° | 180.0° |
| HAH | CAH | CAG | CAR | 179.8° | 180.0° |
| HAH | CAH | CAG | HAG | 0.2° | 0.0° |
| CAG | CAR | CAS | HAR | 180.0° | 180.0° |
| CAG | CAR | CAS | CAT | 0.1° | 0.1° |
| CAG | CAR | CAS | HAS | 179.9° | 179.9° |
| HAG | CAG | CAR | CAS | 179.8° | 180.0° |
| HAG | CAG | CAR | HAR | 0.2° | 0.0° |
| CAR | CAS | CAT | HAS | 180.0° | 179.9° |
| CAR | CAS | CAT | OAU | 176.1° | 180.0° |
| HAR | CAR | CAS | CAT | 179.9° | 179.9° |
| HAR | CAR | CAS | HAS | 0.1° | 0.1° |
| CAS | CAT | OAU | CAV | 90.0° | 135.1° |
| HAS | CAS | CAT | OAU | 3.9° | 0.1° |
| CAT | OAU | CAV | CAW | 155.5° | 135.1° |
| CAT | OAU | CAV | CAJ | 29.1° | 45.0° |
| OAU | CAV | CAW | CAJ | 175.5° | 179.9° |
| OAU | CAV | CAJ | CAK | 174.9° | 180.0° |
| OAU | CAV | CAJ | HAJ | 5.1° | 0.1° |
| OAU | CAV | CAW | CAX | 175.0° | 180.0° |
| OAU | CAV | CAW | HAW | 5.0° | 0.1° |
| CAW | CAV | CAJ | CAK | 0.5° | 0.1° |
| CAW | CAV | CAJ | HAJ | 179.5° | 180.0° |
| CAV | CAW | CAX | HAW | 180.0° | 179.9° |
| CAV | CAW | CAX | CAL | 0.3° | 0.1° |
| CAV | CAW | CAX | HAX | 179.7° | 180.0° |
| CAV | CAJ | CAK | HAJ | 180.0° | 179.9° |
| CAV | CAJ | CAK | CAL | 0.2° | 0.0° |
| CAV | CAJ | CAK | HAK | 179.8° | 179.9° |
| CAJ | CAV | CAW | CAX | 0.5° | 0.1° |
| CAJ | CAV | CAW | HAW | 179.5° | 180.0° |
| CAJ | CAK | CAL | HAK | 180.0° | 179.9° |
| CAJ | CAK | CAL | CAX | 0.1° | 0.0° |
| CAJ | CAK | CAL | SAM | 178.4° | 179.9° |
| HAJ | CAJ | CAK | CAL | 179.8° | 179.9° |
| HAJ | CAJ | CAK | HAK | 0.2° | 0.0° |
| CAK | CAL | CAX | CAW | 0.0° | 0.0° |
| CAK | CAL | CAX | SAM | 178.3° | 179.9° |
| CAK | CAL | CAX | HAX | 180.0° | 179.9° |
| CAK | CAL | SAM | CAN | 69.1° | 90.0° |
| CAK | CAL | SAM | OAC | 169.3° | 155.7° |
| CAK | CAL | SAM | OAY | 49.9° | 25.0° |
| HAK | CAK | CAL | CAX | 180.0° | 180.0° |
| HAK | CAK | CAL | SAM | 1.7° | 0.1° |
| CAW | CAX | CAL | HAX | 180.0° | 179.9° |
| CAW | CAX | CAL | SAM | 178.3° | 179.9° |
| HAW | CAW | CAX | CAL | 179.7° | 180.0° |
| HAW | CAW | CAX | HAX | 0.3° | 0.1° |
| CAX | CAL | SAM | CAN | 112.6° | 90.0° |
| CAX | CAL | SAM | OAC | 9.0° | 24.2° |
| CAX | CAL | SAM | OAY | 128.4° | 155.0° |
| HAX | CAX | CAL | SAM | 1.7° | 0.0° |
| CAL | SAM | CAN | OAC | 121.4° | 114.4° |
| CAL | SAM | CAN | OAY | 119.0° | 113.7° |
| CAL | SAM | OAC | OAY | 118.7° | 123.0° |
| CAL | SAM | CAN | CAO | 89.5° | 180.0° |
| CAL | SAM | CAN | HAN1 | 150.5° | 56.4° |
| CAL | SAM | CAN | HAN2 | 27.6° | 56.9° |
| CAN | SAM | OAC | OAY | 119.1° | 125.3° |
| SAM | CAN | CAO | HAN1 | 120.0° | 119.9° |
| SAM | CAN | CAO | HAN2 | 117.1° | 120.2° |
| SAM | CAN | HAN1 | HAN2 | 117.3° | 112.5° |
| SAM | CAN | CAO | CAP | 172.5° | 174.4° |
| SAM | CAN | CAO | CAE | 66.9° | 60.1° |
| SAM | CAN | CAO | NAZ | 53.3° | 56.7° |
| OAC | SAM | CAN | CAO | 32.0° | 65.6° |
| OAC | SAM | CAN | HAN1 | 88.0° | 170.8° |
| OAC | SAM | CAN | HAN2 | 149.1° | 57.5° |
| OAY | SAM | CAN | CAO | 151.6° | 66.3° |
| OAY | SAM | CAN | HAN1 | 31.6° | 57.3° |
| OAY | SAM | CAN | HAN2 | 91.4° | 170.6° |
| CAO | CAN | HAN1 | HAN2 | 117.4° | 122.2° |
| CAN | CAO | CAP | CAE | 121.7° | 126.6° |
| CAN | CAO | CAP | NAZ | 119.3° | 118.8° |
| CAN | CAO | CAE | NAZ | 120.1° | 118.5° |
| CAN | CAO | CAP | FBA | 172.1° | 66.6° |
| CAN | CAO | CAP | FAF | 52.3° | 173.2° |
| CAN | CAO | CAP | FAQ | 67.2° | 53.2° |
| CAN | CAO | NAZ | HAZ1 | 179.4° | 163.7° |
| CAN | CAO | NAZ | HAZ2 | 59.4° | 29.7° |
| CAN | CAO | CAE | NAD | 131.6° | 90.0° |
| CAN | CAO | CAE | OAB | 50.6° | 90.3° |
| HAN1 | CAN | CAO | CAP | 52.5° | 54.5° |
| HAN1 | CAN | CAO | CAE | 173.1° | 180.0° |
| HAN1 | CAN | CAO | NAZ | 66.7° | 63.2° |
| HAN2 | CAN | CAO | CAP | 70.4° | 65.4° |
| HAN2 | CAN | CAO | CAE | 50.2° | 60.1° |
| HAN2 | CAN | CAO | NAZ | 170.4° | 176.9° |
| CAP | CAO | CAE | NAZ | 118.7° | 115.3° |
| CAO | CAP | FBA | FAF | 120.0° | 123.0° |
| CAO | CAP | FBA | FAQ | 120.8° | 122.3° |
| CAO | CAP | FAF | FAQ | 120.1° | 122.7° |
| CAP | CAO | NAZ | HAZ1 | 59.4° | 42.7° |
| CAP | CAO | NAZ | HAZ2 | 60.6° | 150.7° |
| CAP | CAO | CAE | NAD | 107.2° | 36.3° |
| CAP | CAO | CAE | OAB | 70.6° | 143.4° |
| CAE | CAO | CAP | FBA | 50.4° | 60.0° |
| CAE | CAO | CAP | FAF | 69.4° | 60.2° |
| CAE | CAO | CAP | FAQ | 171.1° | 179.8° |
| CAE | CAO | NAZ | HAZ1 | 59.4° | 75.2° |
| CAE | CAO | NAZ | HAZ2 | 179.4° | 91.4° |
| CAO | CAE | NAD | OAB | 177.7° | 179.7° |
| CAO | CAE | NAD | OAA | 180.0° | 179.7° |
| CAO | CAE | NAD | HNAD | 0.0° | 0.3° |
| NAZ | CAO | CAP | FBA | 68.6° | 174.6° |
| NAZ | CAO | CAP | FAF | 171.6° | 54.4° |
| NAZ | CAO | CAP | FAQ | 52.1° | 65.6° |
| CAO | NAZ | HAZ1 | HAZ2 | 120.0° | 165.7° |
| NAZ | CAO | CAE | NAD | 11.5° | 151.5° |
| NAZ | CAO | CAE | OAB | 170.7° | 28.2° |
| FBA | CAP | FAF | FAQ | 119.7° | 114.8° |
| CAE | NAD | OAA | HNAD | 180.0° | 180.0° |
| CAE | NAD | OAA | HOAA | 114.0° | 143.2° |
| OAB | CAE | NAD | OAA | 2.3° | 0.0° |
| OAB | CAE | NAD | HNAD | 177.8° | 180.0° |
| HNAD | NAD | OAA | HOAA | 66.0° | 36.7° |
