1X5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAA | doub | 1.40Å | 1.39Å | Aromatic |
| NAD | CAA | sing | 1.39Å | 1.33Å | |
| CAA | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAB | sing | 1.47Å | 1.53Å | |
| CAE | CAB | sing | 1.40Å | 1.39Å | Aromatic |
| CAG | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| NAD | CAU | sing | 1.35Å | 1.33Å | |
| NAD | HNAD | sing | 0.97Å | 1.00Å | |
| CAE | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAJ | CAF | doub | 1.22Å | 1.25Å | |
| CAF | OAI | sing | 1.35Å | 1.25Å | |
| CAH | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAQ | CAH | sing | 1.40Å | 1.33Å | |
| OAI | HOAI | sing | 0.97Å | 0.95Å | |
| CAN | CAK | sing | 1.51Å | 1.53Å | |
| CAM | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | NAP | sing | 1.32Å | 1.32Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAQ | CAN | sing | 1.46Å | 1.47Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAR | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| NAP | CAR | doub | 1.32Å | 1.32Å | Aromatic |
| CAS | NAQ | sing | 1.47Å | 1.47Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAS | HASB | sing | 1.09Å | 1.10Å | |
| CAT | CAU | sing | 1.51Å | 1.53Å | |
| CAT | CAW | sing | 1.53Å | 1.53Å | |
| CAT | CAV | sing | 1.53Å | 1.53Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAU | OAX | doub | 1.21Å | 1.23Å | |
| CAW | CAV | sing | 1.53Å | 1.53Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | NAD | 119.7° | 120.1° |
| CAB | CAA | CAC | 119.6° | 119.8° |
| CAA | CAB | CAF | 120.9° | 120.2° |
| CAA | CAB | CAE | 119.8° | 119.6° |
| NAD | CAA | CAC | 120.6° | 120.1° |
| CAA | NAD | CAU | 123.0° | 120.0° |
| CAA | NAD | HNAD | 118.5° | 120.0° |
| CAA | CAC | CAG | 120.5° | 120.1° |
| CAA | CAC | HAC | 119.8° | 119.9° |
| CAF | CAB | CAE | 119.3° | 120.1° |
| CAB | CAF | OAJ | 117.8° | 119.9° |
| CAB | CAF | OAI | 118.4° | 120.1° |
| CAB | CAE | CAH | 120.8° | 119.8° |
| CAB | CAE | HAE | 119.6° | 120.1° |
| CAG | CAC | HAC | 119.8° | 119.9° |
| CAC | CAG | CAH | 120.2° | 120.3° |
| CAC | CAG | HAG | 119.9° | 119.8° |
| CAU | NAD | HNAD | 118.5° | 120.0° |
| NAD | CAU | CAT | 114.7° | 120.0° |
| NAD | CAU | OAX | 124.4° | 120.0° |
| CAH | CAE | HAE | 119.6° | 120.1° |
| CAE | CAH | CAG | 119.2° | 120.2° |
| CAE | CAH | NAQ | 120.3° | 119.9° |
| OAJ | CAF | OAI | 123.8° | 120.0° |
| CAF | OAI | HOAI | 109.5° | 117.1° |
| CAH | CAG | HAG | 119.9° | 119.8° |
| CAG | CAH | NAQ | 120.4° | 119.9° |
| CAH | NAQ | CAN | 119.1° | 120.0° |
| CAH | NAQ | CAS | 118.2° | 120.0° |
| CAN | CAK | CAM | 120.4° | 120.4° |
| CAN | CAK | CAL | 120.6° | 120.4° |
| CAK | CAN | NAQ | 109.6° | 109.5° |
| CAK | CAN | HAN | 109.4° | 109.5° |
| CAK | CAN | HANA | 109.4° | 109.5° |
| CAM | CAK | CAL | 119.0° | 119.1° |
| CAK | CAM | NAP | 120.5° | 120.8° |
| CAK | CAM | HAM | 119.8° | 119.6° |
| CAK | CAL | CAO | 118.9° | 118.5° |
| CAK | CAL | HAL | 120.5° | 120.8° |
| CAO | CAL | HAL | 120.5° | 120.8° |
| CAL | CAO | CAR | 118.9° | 119.1° |
| CAL | CAO | HAO | 120.6° | 120.5° |
| NAP | CAM | HAM | 119.8° | 119.6° |
| CAM | NAP | CAR | 122.3° | 121.8° |
| NAQ | CAN | HAN | 109.4° | 109.5° |
| NAQ | CAN | HANA | 109.4° | 109.5° |
| CAN | NAQ | CAS | 122.7° | 120.0° |
| HAN | CAN | HANA | 109.5° | 109.4° |
| CAR | CAO | HAO | 120.5° | 120.4° |
| CAO | CAR | NAP | 120.5° | 120.8° |
| CAO | CAR | HAR | 119.7° | 119.6° |
| NAP | CAR | HAR | 119.7° | 119.7° |
| NAQ | CAS | HAS | 109.5° | 109.5° |
| NAQ | CAS | HASA | 109.5° | 109.4° |
| NAQ | CAS | HASB | 109.5° | 109.5° |
| HAS | CAS | HASA | 109.4° | 109.5° |
| HAS | CAS | HASB | 109.5° | 109.5° |
| HASA | CAS | HASB | 109.4° | 109.5° |
| CAU | CAT | CAW | 121.5° | 117.5° |
| CAU | CAT | CAV | 124.6° | 117.5° |
| CAU | CAT | HAT | 86.1° | 115.5° |
| CAT | CAU | OAX | 120.9° | 120.0° |
| CAW | CAT | CAV | 60.0° | 60.0° |
| CAW | CAT | HAT | 136.4° | 117.5° |
| CAT | CAW | CAV | 60.0° | 60.0° |
| CAT | CAW | HAW | 130.9° | 117.5° |
| CAT | CAW | HAWA | 130.9° | 117.5° |
| CAV | CAT | HAT | 133.7° | 117.5° |
| CAT | CAV | CAW | 60.0° | 60.0° |
| CAT | CAV | HAV | 130.9° | 117.5° |
| CAT | CAV | HAVA | 130.9° | 117.5° |
| CAW | CAV | HAV | 130.9° | 117.5° |
| CAW | CAV | HAVA | 130.9° | 117.5° |
| CAV | CAW | HAW | 130.9° | 117.5° |
| CAV | CAW | HAWA | 130.9° | 117.5° |
| HAV | CAV | HAVA | 81.8° | 115.5° |
| HAW | CAW | HAWA | 81.8° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | NAD | CAC | 176.8° | 179.7° |
| CAA | CAB | CAF | CAE | 178.4° | 179.9° |
| CAB | CAA | CAC | CAG | 0.3° | 0.1° |
| CAB | CAA | CAC | HAC | 179.8° | 180.0° |
| CAB | CAA | NAD | CAU | 136.3° | 154.5° |
| CAB | CAA | NAD | HNAD | 43.7° | 25.5° |
| CAA | CAB | CAE | CAH | 0.3° | 0.0° |
| CAA | CAB | CAE | HAE | 179.6° | 179.9° |
| CAA | CAB | CAF | OAJ | 176.5° | 5.3° |
| CAA | CAB | CAF | OAI | 3.3° | 174.7° |
| NAD | CAA | CAB | CAF | 1.6° | 0.3° |
| NAD | CAA | CAB | CAE | 176.8° | 179.7° |
| NAD | CAA | CAC | CAG | 176.6° | 179.7° |
| NAD | CAA | CAC | HAC | 3.4° | 0.3° |
| CAA | NAD | CAU | HNAD | 180.0° | 180.0° |
| CAA | NAD | CAU | CAT | 152.2° | 174.4° |
| CAA | NAD | CAU | OAX | 29.6° | 5.6° |
| CAC | CAA | CAB | CAF | 178.5° | 180.0° |
| CAC | CAA | CAB | CAE | 0.1° | 0.1° |
| CAA | CAC | CAG | HAC | 180.0° | 180.0° |
| CAC | CAA | NAD | CAU | 46.9° | 25.2° |
| CAC | CAA | NAD | HNAD | 133.1° | 154.8° |
| CAA | CAC | CAG | CAH | 0.0° | 0.1° |
| CAA | CAC | CAG | HAG | 180.0° | 180.0° |
| CAF | CAB | CAE | CAH | 178.1° | 180.0° |
| CAF | CAB | CAE | HAE | 1.9° | 0.0° |
| CAB | CAF | OAJ | OAI | 179.8° | 180.0° |
| CAB | CAF | OAI | HOAI | 179.8° | 180.0° |
| CAB | CAE | CAH | HAE | 180.0° | 179.9° |
| CAE | CAB | CAF | OAJ | 1.9° | 174.7° |
| CAE | CAB | CAF | OAI | 178.3° | 5.3° |
| CAB | CAE | CAH | CAG | 0.6° | 0.0° |
| CAB | CAE | CAH | NAQ | 176.3° | 180.0° |
| CAC | CAG | CAH | CAE | 0.4° | 0.0° |
| CAC | CAG | CAH | HAG | 180.0° | 179.9° |
| CAC | CAG | CAH | NAQ | 176.5° | 180.0° |
| HAC | CAC | CAG | CAH | 180.0° | 180.0° |
| HAC | CAC | CAG | HAG | 0.0° | 0.0° |
| NAD | CAU | CAT | OAX | 178.3° | 179.9° |
| NAD | CAU | CAT | CAW | 125.4° | 180.0° |
| NAD | CAU | CAT | CAV | 161.4° | 111.3° |
| NAD | CAU | CAT | HAT | 18.7° | 34.4° |
| HNAD | NAD | CAU | CAT | 27.7° | 5.6° |
| HNAD | NAD | CAU | OAX | 150.4° | 174.4° |
| CAE | CAH | CAG | NAQ | 176.9° | 180.0° |
| CAE | CAH | CAG | HAG | 179.6° | 179.9° |
| CAE | CAH | NAQ | CAN | 131.2° | 180.0° |
| CAE | CAH | NAQ | CAS | 49.2° | 0.0° |
| HAE | CAE | CAH | CAG | 179.4° | 179.9° |
| HAE | CAE | CAH | NAQ | 3.7° | 0.0° |
| OAJ | CAF | OAI | HOAI | 0.0° | 0.0° |
| CAG | CAH | NAQ | CAN | 51.9° | 0.1° |
| CAG | CAH | NAQ | CAS | 127.7° | 180.0° |
| HAG | CAG | CAH | NAQ | 3.5° | 0.1° |
| CAH | NAQ | CAN | CAK | 109.3° | 90.0° |
| CAH | NAQ | CAN | CAS | 179.6° | 179.9° |
| CAH | NAQ | CAN | HAN | 10.7° | 30.0° |
| CAH | NAQ | CAN | HANA | 130.7° | 149.9° |
| CAH | NAQ | CAS | HAS | 180.0° | 90.0° |
| CAH | NAQ | CAS | HASA | 60.0° | 150.0° |
| CAH | NAQ | CAS | HASB | 60.0° | 30.0° |
| CAN | CAK | CAM | CAL | 179.2° | 179.8° |
| CAN | CAK | CAL | CAO | 179.0° | 179.8° |
| CAN | CAK | CAL | HAL | 1.0° | 0.2° |
| CAN | CAK | CAM | NAP | 179.0° | 179.8° |
| CAN | CAK | CAM | HAM | 1.0° | 0.2° |
| CAK | CAN | NAQ | HAN | 120.0° | 120.0° |
| CAK | CAN | NAQ | HANA | 120.0° | 120.0° |
| CAK | CAN | HAN | HANA | 119.9° | 120.0° |
| CAK | CAN | NAQ | CAS | 70.3° | 90.0° |
| CAM | CAK | CAL | CAO | 0.2° | 0.1° |
| CAM | CAK | CAL | HAL | 179.8° | 179.9° |
| CAK | CAM | NAP | HAM | 180.0° | 179.9° |
| CAM | CAK | CAN | NAQ | 61.0° | 90.2° |
| CAM | CAK | CAN | HAN | 179.0° | 29.8° |
| CAM | CAK | CAN | HANA | 59.0° | 149.7° |
| CAK | CAM | NAP | CAR | 0.1° | 0.0° |
| CAK | CAL | CAO | HAL | 180.0° | 180.0° |
| CAL | CAK | CAM | NAP | 0.3° | 0.0° |
| CAL | CAK | CAM | HAM | 179.8° | 180.0° |
| CAL | CAK | CAN | NAQ | 118.2° | 89.9° |
| CAL | CAK | CAN | HAN | 1.8° | 150.0° |
| CAL | CAK | CAN | HANA | 121.8° | 30.1° |
| CAK | CAL | CAO | CAR | 0.1° | 0.0° |
| CAK | CAL | CAO | HAO | 179.9° | 180.0° |
| CAL | CAO | CAR | HAO | 180.0° | 179.9° |
| CAL | CAO | CAR | NAP | 0.1° | 0.0° |
| CAL | CAO | CAR | HAR | 179.9° | 180.0° |
| HAL | CAL | CAO | CAR | 179.9° | 179.9° |
| HAL | CAL | CAO | HAO | 0.1° | 0.0° |
| CAM | NAP | CAR | CAO | 0.0° | 0.0° |
| CAM | NAP | CAR | HAR | 180.0° | 180.0° |
| HAM | CAM | NAP | CAR | 179.9° | 180.0° |
| NAQ | CAN | HAN | HANA | 120.0° | 120.0° |
| CAN | NAQ | CAS | HAS | 0.4° | 89.9° |
| CAN | NAQ | CAS | HASA | 119.6° | 30.0° |
| CAN | NAQ | CAS | HASB | 120.4° | 150.0° |
| HAN | CAN | NAQ | CAS | 169.7° | 150.0° |
| HANA | CAN | NAQ | CAS | 49.7° | 30.0° |
| CAO | CAR | NAP | HAR | 180.0° | 180.0° |
| HAO | CAO | CAR | NAP | 179.9° | 179.9° |
| HAO | CAO | CAR | HAR | 0.1° | 0.1° |
| NAQ | CAS | HAS | HASA | 120.0° | 119.9° |
| NAQ | CAS | HAS | HASB | 120.0° | 120.0° |
| NAQ | CAS | HASA | HASB | 120.0° | 120.0° |
| HAS | CAS | HASA | HASB | 119.9° | 120.1° |
| CAU | CAT | CAW | CAV | 114.5° | 107.5° |
| CAU | CAT | CAW | HAT | 122.0° | 145.0° |
| CAU | CAT | CAV | HAT | 123.1° | 145.0° |
| CAU | CAT | CAV | HAV | 10.4° | 0.0° |
| CAU | CAT | CAV | HAVA | 130.4° | 145.0° |
| CAU | CAT | CAW | HAW | 125.5° | 145.0° |
| CAU | CAT | CAW | HAWA | 5.5° | 0.0° |
| CAW | CAT | CAV | HAT | 127.3° | 107.5° |
| CAW | CAT | CAU | OAX | 52.8° | 0.1° |
| CAT | CAW | CAV | HAW | 120.0° | 107.5° |
| CAT | CAW | CAV | HAWA | 120.0° | 107.5° |
| CAW | CAT | CAV | HAV | 120.0° | 107.5° |
| CAW | CAT | CAV | HAVA | 120.0° | 107.5° |
| CAT | CAW | HAW | HAWA | 138.6° | 145.7° |
| CAV | CAT | CAU | OAX | 20.4° | 68.6° |
| CAT | CAV | HAV | HAVA | 138.6° | 145.6° |
| HAT | CAT | CAU | OAX | 163.0° | 145.7° |
| HAT | CAT | CAV | HAV | 112.7° | 145.0° |
| HAT | CAT | CAV | HAVA | 7.3° | 0.0° |
| HAT | CAT | CAW | HAW | 3.5° | 0.1° |
| HAT | CAT | CAW | HAWA | 116.5° | 145.0° |
| CAW | CAV | HAV | HAVA | 138.6° | 145.8° |
| CAV | CAW | HAW | HAWA | 138.6° | 145.7° |
| HAV | CAV | CAW | HAW | 120.0° | 145.0° |
| HAV | CAV | CAW | HAWA | 0.0° | 0.0° |
| HAVA | CAV | CAW | HAW | 0.0° | 0.0° |
| HAVA | CAV | CAW | HAWA | 120.0° | 145.1° |
