A1H5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAO | sing | 1.43Å | 1.50Å | |
| OAQ | CAN | sing | 1.43Å | 1.45Å | |
| CAN | CAO | sing | 1.53Å | 1.49Å | |
| CAN | CAM | sing | 1.53Å | 1.59Å | |
| CAM | O1 | sing | 1.43Å | 1.41Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.49Å | |
| C6 | O6 | sing | 1.43Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | N2 | sing | 1.46Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| N2 | CAR | sing | 1.35Å | 1.33Å | Aromatic |
| N2 | NAU | sing | 1.29Å | 1.27Å | Aromatic |
| CAR | CAS | doub | 1.36Å | 1.33Å | Aromatic |
| NAU | NAT | doub | 1.29Å | 1.26Å | Aromatic |
| CAS | NAT | sing | 1.35Å | 1.31Å | Aromatic |
| CAS | CAV | sing | 1.48Å | 1.35Å | |
| CBA | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CBA | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | H63 | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | H64 | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å | |
| O6 | H65 | sing | 0.97Å | 0.95Å | |
| OAP | HAP | sing | 0.97Å | 0.95Å | |
| OAQ | HAQ | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAO | CAN | 104.2° | 109.5° |
| OAP | CAO | HAO | 110.8° | 109.5° |
| OAP | CAO | H64 | 110.8° | 109.4° |
| CAO | OAP | HAP | 109.5° | 114.0° |
| OAQ | CAN | CAO | 110.4° | 109.5° |
| OAQ | CAN | CAM | 109.1° | 109.5° |
| OAQ | CAN | HAN | 110.8° | 109.4° |
| CAN | OAQ | HAQ | 109.5° | 114.0° |
| CAO | CAN | CAM | 107.4° | 109.5° |
| CAO | CAN | HAN | 110.2° | 109.4° |
| CAN | CAO | HAO | 110.8° | 109.5° |
| CAN | CAO | H64 | 110.8° | 109.5° |
| CAN | CAM | O1 | 104.9° | 109.5° |
| CAN | CAM | HAM | 110.6° | 109.5° |
| CAN | CAM | H63 | 110.6° | 109.5° |
| CAM | CAN | HAN | 108.9° | 109.5° |
| CAM | O1 | C1 | 109.1° | 114.0° |
| O1 | CAM | HAM | 110.6° | 109.5° |
| O1 | CAM | H63 | 110.6° | 109.5° |
| O1 | C1 | O5 | 111.1° | 109.5° |
| O1 | C1 | C2 | 106.8° | 109.5° |
| O1 | C1 | H1 | 109.8° | 109.5° |
| C5 | C6 | O6 | 104.5° | 109.5° |
| C6 | C5 | O5 | 109.6° | 109.5° |
| C6 | C5 | C4 | 113.7° | 109.5° |
| C6 | C5 | H5 | 107.9° | 109.4° |
| C5 | C6 | H62 | 110.7° | 109.5° |
| C5 | C6 | H61 | 110.7° | 109.5° |
| O6 | C6 | H62 | 110.7° | 109.4° |
| O6 | C6 | H61 | 110.7° | 109.5° |
| C6 | O6 | H65 | 109.5° | 114.0° |
| O5 | C1 | C2 | 111.0° | 109.4° |
| C1 | O5 | C5 | 111.1° | 114.1° |
| O5 | C1 | H1 | 109.4° | 109.5° |
| C1 | C2 | C3 | 108.8° | 109.2° |
| C1 | C2 | N2 | 112.8° | 109.5° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C1 | C2 | H2 | 107.6° | 109.5° |
| O5 | C5 | C4 | 109.8° | 109.5° |
| O5 | C5 | H5 | 108.3° | 109.5° |
| C5 | C4 | C3 | 109.4° | 109.1° |
| C5 | C4 | O4 | 111.7° | 109.6° |
| C5 | C4 | H41 | 109.0° | 109.5° |
| C4 | C5 | H5 | 107.5° | 109.5° |
| C3 | C2 | N2 | 112.0° | 109.5° |
| C2 | C3 | C4 | 111.1° | 109.1° |
| C2 | C3 | O3 | 111.1° | 109.6° |
| C2 | C3 | H31 | 108.3° | 109.6° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C2 | N2 | CAR | 132.8° | 125.8° |
| C2 | N2 | NAU | 118.2° | 125.8° |
| N2 | C2 | H2 | 108.0° | 109.5° |
| C4 | C3 | O3 | 108.2° | 109.5° |
| C3 | C4 | O4 | 107.3° | 109.6° |
| C3 | C4 | H41 | 109.1° | 109.5° |
| C4 | C3 | H31 | 108.4° | 109.5° |
| O3 | C3 | H31 | 109.6° | 109.5° |
| C3 | O3 | H32 | 109.5° | 114.0° |
| O4 | C4 | H41 | 110.3° | 109.5° |
| C4 | O4 | H42 | 109.5° | 114.0° |
| CAR | N2 | NAU | 109.0° | 108.4° |
| N2 | CAR | CAS | 104.4° | 106.1° |
| N2 | CAR | HAR | 127.8° | 126.9° |
| N2 | NAU | NAT | 110.5° | 110.5° |
| CAR | CAS | NAT | 108.8° | 106.1° |
| CAR | CAS | CAV | 126.7° | 126.9° |
| CAS | CAR | HAR | 127.8° | 127.0° |
| NAU | NAT | CAS | 107.3° | 108.8° |
| NAT | CAS | CAV | 124.5° | 127.0° |
| CAS | CAV | CBA | 120.6° | 120.1° |
| CAS | CAV | CAW | 119.8° | 120.1° |
| CAV | CBA | CAZ | 120.1° | 119.8° |
| CBA | CAV | CAW | 119.6° | 119.8° |
| CAV | CBA | HBA | 120.0° | 120.0° |
| CBA | CAZ | CAY | 120.1° | 120.1° |
| CBA | CAZ | HAZ | 119.9° | 119.9° |
| CAZ | CBA | HBA | 119.9° | 120.1° |
| CAV | CAW | CAX | 120.6° | 119.8° |
| CAV | CAW | HAW | 119.7° | 120.0° |
| CAZ | CAY | CAX | 120.2° | 120.3° |
| CAZ | CAY | HAY | 119.9° | 119.8° |
| CAY | CAZ | HAZ | 120.0° | 120.0° |
| CAW | CAX | CAY | 119.4° | 120.2° |
| CAX | CAW | HAW | 119.7° | 120.1° |
| CAW | CAX | HAX | 120.3° | 119.9° |
| CAY | CAX | HAX | 120.3° | 119.9° |
| CAX | CAY | HAY | 119.9° | 119.9° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| HAM | CAM | H63 | 109.5° | 109.5° |
| HAO | CAO | H64 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAO | CAN | OAQ | 62.3° | 65.0° |
| OAP | CAO | CAN | HAO | 119.2° | 120.0° |
| OAP | CAO | CAN | H64 | 119.2° | 120.0° |
| OAP | CAO | CAN | CAM | 178.9° | 175.0° |
| OAP | CAO | CAN | HAN | 60.4° | 54.9° |
| OAP | CAO | HAO | H64 | 122.5° | 120.0° |
| OAQ | CAN | CAO | CAM | 118.8° | 120.0° |
| OAQ | CAN | CAO | HAN | 122.7° | 119.9° |
| OAQ | CAN | CAM | HAN | 121.1° | 120.0° |
| OAQ | CAN | CAM | O1 | 61.4° | 65.0° |
| OAQ | CAN | CAM | HAM | 57.9° | 175.0° |
| OAQ | CAN | CAM | H63 | 179.4° | 55.0° |
| OAQ | CAN | CAO | HAO | 178.5° | 55.1° |
| OAQ | CAN | CAO | H64 | 56.9° | 175.0° |
| CAO | CAN | CAM | HAN | 119.3° | 120.0° |
| CAO | CAN | CAM | O1 | 58.3° | 175.0° |
| CAO | CAN | CAM | HAM | 177.6° | 55.0° |
| CAO | CAN | CAM | H63 | 61.0° | 65.0° |
| CAN | CAO | HAO | H64 | 122.5° | 120.0° |
| CAN | CAO | OAP | HAP | 180.0° | 180.0° |
| CAO | CAN | OAQ | HAQ | 180.0° | 60.1° |
| CAN | CAM | O1 | HAM | 119.3° | 120.0° |
| CAN | CAM | O1 | H63 | 119.3° | 120.0° |
| CAN | CAM | O1 | C1 | 170.9° | 180.0° |
| CAN | CAM | HAM | H63 | 122.1° | 120.0° |
| CAM | CAN | CAO | HAO | 59.7° | 65.0° |
| CAM | CAN | CAO | H64 | 62.0° | 55.0° |
| CAM | CAN | OAQ | HAQ | 62.2° | 60.0° |
| CAM | O1 | C1 | O5 | 64.4° | 70.0° |
| CAM | O1 | C1 | C2 | 174.4° | 170.0° |
| CAM | O1 | C1 | H1 | 56.7° | 50.0° |
| O1 | CAM | HAM | H63 | 122.1° | 120.0° |
| O1 | CAM | CAN | HAN | 177.6° | 55.0° |
| O1 | C1 | O5 | C2 | 118.7° | 119.9° |
| O1 | C1 | O5 | H1 | 121.3° | 120.0° |
| O1 | C1 | C2 | H1 | 118.4° | 120.0° |
| O1 | C1 | O5 | C5 | 57.4° | 58.8° |
| O1 | C1 | C2 | C3 | 63.7° | 62.4° |
| O1 | C1 | C2 | N2 | 171.4° | 177.8° |
| O1 | C1 | C2 | H2 | 52.4° | 57.6° |
| C1 | O1 | CAM | HAM | 69.9° | 60.0° |
| C1 | O1 | CAM | H63 | 51.6° | 60.0° |
| C5 | C6 | O6 | H62 | 119.2° | 120.0° |
| C5 | C6 | O6 | H61 | 119.2° | 120.0° |
| C6 | C5 | O5 | C1 | 173.8° | 178.8° |
| C6 | C5 | O5 | C4 | 125.6° | 120.0° |
| C6 | C5 | O5 | H5 | 117.4° | 119.9° |
| C6 | C5 | C4 | H5 | 119.3° | 119.9° |
| C6 | C5 | C4 | C3 | 179.2° | 177.6° |
| C6 | C5 | C4 | O4 | 60.5° | 62.4° |
| C6 | C5 | C4 | H41 | 61.6° | 57.7° |
| C5 | C6 | H62 | H61 | 122.3° | 120.0° |
| C5 | C6 | O6 | H65 | 180.0° | 180.0° |
| O6 | C6 | C5 | O5 | 59.4° | 65.0° |
| O6 | C6 | C5 | C4 | 63.9° | 175.0° |
| O6 | C6 | C5 | H5 | 177.0° | 55.0° |
| O6 | C6 | H62 | H61 | 122.3° | 120.0° |
| O5 | C1 | C2 | H1 | 120.4° | 120.0° |
| C1 | O5 | C5 | C4 | 60.6° | 61.1° |
| O5 | C1 | C2 | C3 | 57.5° | 57.6° |
| O5 | C1 | C2 | N2 | 67.3° | 62.3° |
| C1 | O5 | C5 | H5 | 56.4° | 58.9° |
| O5 | C1 | C2 | H2 | 173.7° | 177.5° |
| C2 | C1 | O5 | C5 | 61.3° | 61.1° |
| C1 | C2 | C3 | N2 | 125.4° | 119.9° |
| C1 | C2 | C3 | H2 | 116.2° | 120.0° |
| C1 | C2 | N2 | H2 | 118.7° | 120.2° |
| C1 | C2 | C3 | C4 | 55.6° | 57.0° |
| C1 | C2 | C3 | O3 | 176.2° | 176.8° |
| C1 | C2 | N2 | CAR | 35.9° | 35.0° |
| C1 | C2 | N2 | NAU | 144.9° | 145.3° |
| C1 | C2 | C3 | H31 | 63.4° | 63.0° |
| O5 | C5 | C4 | H5 | 117.5° | 120.0° |
| O5 | C5 | C4 | C3 | 57.6° | 57.6° |
| O5 | C5 | C4 | O4 | 176.3° | 177.6° |
| O5 | C5 | C4 | H41 | 61.6° | 62.3° |
| O5 | C5 | C6 | H62 | 59.8° | 175.0° |
| O5 | C5 | C6 | H61 | 178.6° | 55.0° |
| C5 | O5 | C1 | H1 | 178.8° | 178.9° |
| C5 | C4 | C3 | C2 | 56.1° | 56.9° |
| C5 | C4 | C3 | O4 | 121.4° | 120.0° |
| C5 | C4 | C3 | H41 | 119.1° | 119.8° |
| C5 | C4 | C3 | O3 | 178.4° | 176.8° |
| C5 | C4 | O4 | H41 | 121.3° | 120.1° |
| C4 | C5 | C6 | H62 | 176.9° | 55.0° |
| C4 | C5 | C6 | H61 | 55.3° | 65.0° |
| C5 | C4 | C3 | H31 | 62.9° | 63.1° |
| C5 | C4 | O4 | H42 | 180.0° | 60.1° |
| C3 | C2 | N2 | H2 | 118.1° | 120.1° |
| C2 | C3 | C4 | O3 | 122.3° | 119.9° |
| C2 | C3 | C4 | H31 | 118.9° | 120.0° |
| C2 | C3 | O3 | H31 | 119.7° | 120.3° |
| C2 | C3 | C4 | O4 | 177.4° | 176.9° |
| C3 | C2 | N2 | CAR | 87.2° | 84.7° |
| C3 | C2 | N2 | NAU | 92.0° | 95.0° |
| C2 | C3 | C4 | H41 | 63.1° | 62.9° |
| C3 | C2 | C1 | H1 | 177.9° | 177.6° |
| C2 | C3 | O3 | H32 | 180.0° | 179.5° |
| N2 | C2 | C3 | C4 | 69.8° | 62.9° |
| N2 | C2 | C3 | O3 | 50.8° | 56.9° |
| C2 | N2 | CAR | NAU | 179.3° | 179.8° |
| C2 | N2 | CAR | CAS | 179.0° | 179.8° |
| C2 | N2 | NAU | NAT | 179.0° | 179.8° |
| N2 | C2 | C3 | H31 | 171.2° | 177.1° |
| N2 | C2 | C1 | H1 | 53.1° | 57.7° |
| C2 | N2 | CAR | HAR | 1.1° | 0.2° |
| C4 | C3 | O3 | H31 | 118.0° | 120.1° |
| C3 | C4 | O4 | H41 | 118.7° | 120.2° |
| C3 | C4 | C5 | H5 | 59.9° | 62.5° |
| C4 | C3 | C2 | H2 | 171.8° | 176.9° |
| C4 | C3 | O3 | H32 | 57.7° | 59.9° |
| C3 | C4 | O4 | H42 | 60.1° | 179.8° |
| O3 | C3 | C4 | O4 | 60.3° | 63.2° |
| O3 | C3 | C4 | H41 | 59.2° | 57.0° |
| O3 | C3 | C2 | H2 | 67.6° | 63.2° |
| O4 | C4 | C5 | H5 | 58.8° | 57.5° |
| O4 | C4 | C3 | H31 | 58.5° | 56.9° |
| N2 | CAR | CAS | HAR | 180.0° | 180.0° |
| CAR | N2 | NAU | NAT | 0.4° | 0.0° |
| N2 | CAR | CAS | NAT | 0.1° | 0.0° |
| N2 | CAR | CAS | CAV | 179.7° | 180.0° |
| CAR | N2 | C2 | H2 | 154.6° | 155.1° |
| NAU | N2 | CAR | CAS | 0.3° | 0.0° |
| N2 | NAU | NAT | CAS | 0.4° | 0.0° |
| NAU | N2 | C2 | H2 | 26.2° | 25.1° |
| NAU | N2 | CAR | HAR | 179.7° | 180.0° |
| CAR | CAS | NAT | NAU | 0.1° | 0.0° |
| CAR | CAS | NAT | CAV | 179.8° | 180.0° |
| CAR | CAS | CAV | CBA | 8.2° | 0.3° |
| CAR | CAS | CAV | CAW | 170.9° | 180.0° |
| NAU | NAT | CAS | CAV | 180.0° | 180.0° |
| NAT | CAS | CAV | CBA | 172.0° | 179.7° |
| NAT | CAS | CAV | CAW | 8.9° | 0.0° |
| NAT | CAS | CAR | HAR | 179.9° | 180.0° |
| CAS | CAV | CBA | CAW | 179.1° | 179.7° |
| CAS | CAV | CBA | CAZ | 179.7° | 179.7° |
| CAS | CAV | CAW | CAX | 179.5° | 180.0° |
| CAV | CAS | CAR | HAR | 0.3° | 0.0° |
| CAS | CAV | CAW | HAW | 0.5° | 0.0° |
| CAS | CAV | CBA | HBA | 0.3° | 0.0° |
| CAV | CBA | CAZ | HBA | 180.0° | 179.7° |
| CAV | CBA | CAZ | CAY | 0.4° | 0.6° |
| CBA | CAV | CAW | CAX | 0.3° | 0.3° |
| CBA | CAV | CAW | HAW | 179.7° | 179.7° |
| CAV | CBA | CAZ | HAZ | 179.6° | 179.6° |
| CAZ | CBA | CAV | CAW | 0.6° | 0.6° |
| CBA | CAZ | CAY | HAZ | 180.0° | 179.8° |
| CBA | CAZ | CAY | CAX | 0.0° | 0.3° |
| CBA | CAZ | CAY | HAY | 180.0° | 179.7° |
| CAV | CAW | CAX | HAW | 180.0° | 180.0° |
| CAV | CAW | CAX | CAY | 0.1° | 0.0° |
| CAV | CAW | CAX | HAX | 179.9° | 179.9° |
| CAW | CAV | CBA | HBA | 179.4° | 179.8° |
| CAZ | CAY | CAX | CAW | 0.2° | 0.0° |
| CAZ | CAY | CAX | HAY | 180.0° | 180.0° |
| CAZ | CAY | CAX | HAX | 179.8° | 180.0° |
| CAY | CAZ | CBA | HBA | 179.5° | 179.7° |
| CAW | CAX | CAY | HAX | 180.0° | 180.0° |
| CAW | CAX | CAY | HAY | 179.7° | 180.0° |
| CAY | CAX | CAW | HAW | 179.9° | 180.0° |
| CAX | CAY | CAZ | HAZ | 180.0° | 179.9° |
| H41 | C4 | C5 | H5 | 179.1° | 177.7° |
| H41 | C4 | C3 | H31 | 178.0° | 177.1° |
| H41 | C4 | O4 | H42 | 58.7° | 60.0° |
| H5 | C5 | C6 | H62 | 57.8° | 65.0° |
| H5 | C5 | C6 | H61 | 63.7° | 175.0° |
| H62 | C6 | O6 | H65 | 60.8° | 60.0° |
| H61 | C6 | O6 | H65 | 60.8° | 60.0° |
| H31 | C3 | C2 | H2 | 52.8° | 57.0° |
| H31 | C3 | O3 | H32 | 60.3° | 60.2° |
| H1 | C1 | C2 | H2 | 65.9° | 62.5° |
| HAM | CAM | CAN | HAN | 63.1° | 65.0° |
| H63 | CAM | CAN | HAN | 58.3° | 175.0° |
| HAN | CAN | CAO | HAO | 58.8° | 175.0° |
| HAN | CAN | CAO | H64 | 179.6° | 65.1° |
| HAN | CAN | OAQ | HAQ | 57.7° | 180.0° |
| HAO | CAO | OAP | HAP | 60.8° | 59.9° |
| H64 | CAO | OAP | HAP | 60.8° | 60.0° |
| HAW | CAW | CAX | HAX | 0.1° | 0.0° |
| HAX | CAX | CAY | HAY | 0.3° | 0.0° |
| HAY | CAY | CAZ | HAZ | 0.0° | 0.1° |
| HAZ | CAZ | CBA | HBA | 0.4° | 0.0° |
