RLT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAW | sing | 1.51Å | 1.57Å | |
| CAB | NBE | sing | 1.46Å | 1.48Å | |
| CAC | CBF | sing | 1.53Å | 1.53Å | |
| CAD | CBF | sing | 1.53Å | 1.53Å | |
| OAE | CAU | doub | 1.22Å | 1.23Å | |
| OAF | CAV | doub | 1.22Å | 1.23Å | |
| OAG | CBD | doub | 1.22Å | 1.24Å | |
| OAH | CAZ | sing | 1.36Å | 1.39Å | |
| FAI | CAX | sing | 1.35Å | 1.35Å | |
| CAJ | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAX | doub | 1.38Å | 1.41Å | Aromatic |
| CAL | CAY | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | NAR | sing | 1.47Å | 1.47Å | |
| CAN | CAY | sing | 1.51Å | 1.51Å | |
| NAO | NAP | sing | 1.29Å | 1.24Å | Aromatic |
| NAO | CAW | doub | 1.31Å | 1.34Å | Aromatic |
| NAP | CBA | doub | 1.31Å | 1.36Å | Aromatic |
| NAQ | CBB | sing | 1.35Å | 1.36Å | |
| NAQ | CBC | doub | 1.30Å | 1.34Å | |
| NAR | CAU | sing | 1.35Å | 1.37Å | |
| NAS | CAV | sing | 1.35Å | 1.38Å | |
| NAS | CBF | sing | 1.47Å | 1.50Å | |
| OAT | CAW | sing | 1.34Å | 1.40Å | Aromatic |
| OAT | CBA | sing | 1.35Å | 1.37Å | Aromatic |
| CAU | CBB | sing | 1.48Å | 1.54Å | |
| CAV | CBA | sing | 1.47Å | 1.57Å | |
| CAZ | CBB | doub | 1.39Å | 1.41Å | |
| CAZ | CBD | sing | 1.47Å | 1.37Å | |
| CBC | NBE | sing | 1.36Å | 1.43Å | |
| CBC | CBF | sing | 1.51Å | 1.57Å | |
| CBD | NBE | sing | 1.35Å | 1.42Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAD | HADB | sing | 1.09Å | 1.10Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAW | NAO | 121.8° | 126.2° |
| CAA | CAW | OAT | 127.3° | 126.2° |
| CAW | CAA | HAA | 109.5° | 109.5° |
| CAW | CAA | HAAA | 109.5° | 109.5° |
| CAW | CAA | HAAB | 109.4° | 109.4° |
| CAB | NBE | CBC | 125.6° | 119.9° |
| CAB | NBE | CBD | 114.1° | 120.0° |
| NBE | CAB | HAB | 109.5° | 109.4° |
| NBE | CAB | HABA | 109.4° | 109.4° |
| NBE | CAB | HABB | 109.5° | 109.5° |
| CAC | CBF | CAD | 109.5° | 109.5° |
| CAC | CBF | NAS | 113.4° | 109.5° |
| CAC | CBF | CBC | 110.6° | 109.5° |
| CBF | CAC | HAC | 109.5° | 109.5° |
| CBF | CAC | HACA | 109.5° | 109.5° |
| CBF | CAC | HACB | 109.5° | 109.5° |
| CAD | CBF | NAS | 109.5° | 109.5° |
| CAD | CBF | CBC | 111.9° | 109.5° |
| CBF | CAD | HAD | 109.5° | 109.5° |
| CBF | CAD | HADA | 109.5° | 109.5° |
| CBF | CAD | HADB | 109.5° | 109.5° |
| OAE | CAU | NAR | 126.7° | 120.0° |
| OAE | CAU | CBB | 120.7° | 120.0° |
| OAF | CAV | NAS | 124.3° | 120.1° |
| OAF | CAV | CBA | 118.4° | 120.0° |
| OAG | CBD | CAZ | 116.1° | 121.0° |
| OAG | CBD | NBE | 122.7° | 121.0° |
| OAH | CAZ | CBB | 129.1° | 121.2° |
| OAH | CAZ | CBD | 113.9° | 121.1° |
| CAZ | OAH | HOAH | 109.5° | 114.0° |
| FAI | CAX | CAJ | 119.6° | 120.0° |
| FAI | CAX | CAK | 120.1° | 120.1° |
| CAL | CAJ | CAX | 118.3° | 119.9° |
| CAJ | CAL | CAY | 121.7° | 120.0° |
| CAL | CAJ | HAJ | 120.9° | 120.1° |
| CAJ | CAL | HAL | 119.2° | 120.0° |
| CAJ | CAX | CAK | 120.3° | 120.0° |
| CAX | CAJ | HAJ | 120.9° | 120.0° |
| CAM | CAK | CAX | 120.8° | 120.0° |
| CAK | CAM | CAY | 118.7° | 120.0° |
| CAM | CAK | HAK | 119.6° | 119.9° |
| CAK | CAM | HAM | 120.6° | 120.0° |
| CAX | CAK | HAK | 119.6° | 120.1° |
| CAL | CAY | CAM | 120.2° | 120.1° |
| CAL | CAY | CAN | 119.3° | 120.0° |
| CAY | CAL | HAL | 119.2° | 120.0° |
| CAM | CAY | CAN | 120.5° | 120.0° |
| CAY | CAM | HAM | 120.6° | 120.0° |
| NAR | CAN | CAY | 119.7° | 109.5° |
| CAN | NAR | CAU | 129.7° | 120.0° |
| NAR | CAN | HAN | 106.2° | 109.4° |
| NAR | CAN | HANA | 106.2° | 109.4° |
| CAN | NAR | HNAR | 115.2° | 120.0° |
| CAY | CAN | HAN | 106.2° | 109.5° |
| CAY | CAN | HANA | 106.2° | 109.5° |
| NAP | NAO | CAW | 107.7° | 109.4° |
| NAO | NAP | CBA | 111.2° | 109.2° |
| NAO | CAW | OAT | 110.9° | 107.7° |
| NAP | CBA | OAT | 109.3° | 107.2° |
| NAP | CBA | CAV | 124.5° | 126.4° |
| CBB | NAQ | CBC | 124.6° | 122.2° |
| NAQ | CBB | CAU | 117.1° | 120.3° |
| NAQ | CBB | CAZ | 120.8° | 119.5° |
| NAQ | CBC | NBE | 116.1° | 122.6° |
| NAQ | CBC | CBF | 120.8° | 118.7° |
| NAR | CAU | CBB | 112.6° | 120.0° |
| CAU | NAR | HNAR | 115.2° | 120.0° |
| CAV | NAS | CBF | 124.8° | 120.0° |
| NAS | CAV | CBA | 117.3° | 120.0° |
| CAV | NAS | HNAS | 117.6° | 120.0° |
| NAS | CBF | CBC | 101.8° | 109.4° |
| CBF | NAS | HNAS | 117.6° | 120.0° |
| CAW | OAT | CBA | 101.0° | 106.5° |
| OAT | CBA | CAV | 126.2° | 126.4° |
| CAU | CBB | CAZ | 122.1° | 120.2° |
| CBB | CAZ | CBD | 117.0° | 117.7° |
| CAZ | CBD | NBE | 121.2° | 118.0° |
| NBE | CBC | CBF | 123.1° | 118.7° |
| CBC | NBE | CBD | 120.2° | 120.1° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| HAC | CAC | HACA | 109.4° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.4° |
| HAD | CAD | HADA | 109.5° | 109.4° |
| HAD | CAD | HADB | 109.4° | 109.5° |
| HADA | CAD | HADB | 109.5° | 109.5° |
| HAN | CAN | HANA | 112.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAW | NAO | NAP | 180.0° | 180.0° |
| CAA | CAW | NAO | OAT | 180.0° | 180.0° |
| CAA | CAW | OAT | CBA | 180.0° | 180.0° |
| CAW | CAA | HAA | HAAA | 120.0° | 120.1° |
| CAW | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAW | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAB | NBE | CBD | OAG | 0.0° | 0.1° |
| CAB | NBE | CBC | NAQ | 180.0° | 180.0° |
| CAB | NBE | CBD | CAZ | 179.9° | 180.0° |
| CAB | NBE | CBC | CBD | 180.0° | 179.9° |
| CAB | NBE | CBC | CBF | 0.0° | 0.1° |
| NBE | CAB | HAB | HABA | 120.0° | 119.9° |
| NBE | CAB | HAB | HABB | 120.0° | 120.0° |
| NBE | CAB | HABA | HABB | 120.0° | 120.0° |
| CAC | CBF | CAD | NAS | 124.9° | 120.0° |
| CAC | CBF | CAD | CBC | 123.0° | 120.0° |
| CAC | CBF | CBC | NAQ | 31.6° | 120.0° |
| CAC | CBF | NAS | CAV | 56.5° | 60.0° |
| CAC | CBF | NAS | CBC | 118.8° | 120.0° |
| CAC | CBF | CBC | NBE | 148.4° | 60.0° |
| CBF | CAC | HAC | HACA | 120.0° | 120.0° |
| CBF | CAC | HAC | HACB | 120.0° | 120.0° |
| CBF | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | CBF | CAD | HAD | 180.0° | 60.0° |
| CAC | CBF | CAD | HADA | 60.0° | 180.0° |
| CAC | CBF | CAD | HADB | 60.0° | 60.0° |
| CAC | CBF | NAS | HNAS | 123.5° | 120.0° |
| CAD | CBF | CBC | NAQ | 90.8° | 0.0° |
| CAD | CBF | NAS | CAV | 179.1° | 60.0° |
| CAD | CBF | NAS | CBC | 118.6° | 120.0° |
| CAD | CBF | CBC | NBE | 89.2° | 180.0° |
| CAD | CBF | CAC | HAC | 180.0° | 60.0° |
| CAD | CBF | CAC | HACA | 60.0° | 180.0° |
| CAD | CBF | CAC | HACB | 60.0° | 60.0° |
| CBF | CAD | HAD | HADA | 120.0° | 120.0° |
| CBF | CAD | HAD | HADB | 120.0° | 120.0° |
| CBF | CAD | HADA | HADB | 120.0° | 120.0° |
| CAD | CBF | NAS | HNAS | 0.9° | 120.0° |
| OAE | CAU | NAR | CAN | 0.2° | 0.0° |
| OAE | CAU | CBB | NAQ | 167.7° | 179.9° |
| OAE | CAU | NAR | CBB | 179.6° | 180.0° |
| OAE | CAU | CBB | CAZ | 12.4° | 0.0° |
| OAE | CAU | NAR | HNAR | 179.8° | 180.0° |
| OAF | CAV | CBA | NAP | 168.8° | 179.9° |
| OAF | CAV | NAS | CBA | 180.0° | 179.9° |
| OAF | CAV | NAS | CBF | 0.1° | 0.1° |
| OAF | CAV | CBA | OAT | 11.2° | 0.1° |
| OAF | CAV | NAS | HNAS | 179.9° | 179.9° |
| OAG | CBD | CAZ | OAH | 0.0° | 0.0° |
| OAG | CBD | CAZ | CBB | 180.0° | 179.9° |
| OAG | CBD | CAZ | NBE | 180.0° | 179.9° |
| OAG | CBD | NBE | CBC | 180.0° | 180.0° |
| OAH | CAZ | CBB | NAQ | 180.0° | 180.0° |
| OAH | CAZ | CBB | CAU | 0.1° | 0.1° |
| OAH | CAZ | CBB | CBD | 179.9° | 179.9° |
| OAH | CAZ | CBD | NBE | 180.0° | 179.9° |
| FAI | CAX | CAJ | CAL | 180.0° | 180.0° |
| FAI | CAX | CAJ | CAK | 179.9° | 179.9° |
| FAI | CAX | CAK | CAM | 180.0° | 180.0° |
| FAI | CAX | CAJ | HAJ | 0.0° | 0.3° |
| FAI | CAX | CAK | HAK | 0.0° | 0.1° |
| CAL | CAJ | CAX | HAJ | 180.0° | 179.7° |
| CAL | CAJ | CAX | CAK | 0.1° | 0.0° |
| CAJ | CAL | CAY | HAL | 180.0° | 179.9° |
| CAJ | CAL | CAY | CAM | 0.0° | 0.0° |
| CAJ | CAL | CAY | CAN | 180.0° | 180.0° |
| CAJ | CAX | CAK | CAM | 0.1° | 0.1° |
| CAX | CAJ | CAL | CAY | 0.0° | 0.0° |
| CAJ | CAX | CAK | HAK | 179.9° | 180.0° |
| CAX | CAJ | CAL | HAL | 180.0° | 180.0° |
| CAM | CAK | CAX | HAK | 180.0° | 179.9° |
| CAK | CAM | CAY | CAL | 0.0° | 0.0° |
| CAK | CAM | CAY | HAM | 180.0° | 180.0° |
| CAK | CAM | CAY | CAN | 180.0° | 180.0° |
| CAX | CAK | CAM | CAY | 0.0° | 0.1° |
| CAK | CAX | CAJ | HAJ | 179.9° | 179.8° |
| CAX | CAK | CAM | HAM | 180.0° | 180.0° |
| CAL | CAY | CAM | CAN | 179.9° | 180.0° |
| CAL | CAY | CAN | NAR | 93.4° | 90.0° |
| CAY | CAL | CAJ | HAJ | 180.0° | 179.8° |
| CAL | CAY | CAM | HAM | 180.0° | 180.0° |
| CAL | CAY | CAN | HAN | 146.6° | 30.0° |
| CAL | CAY | CAN | HANA | 26.6° | 150.1° |
| CAM | CAY | CAN | NAR | 86.7° | 90.0° |
| CAY | CAM | CAK | HAK | 180.0° | 180.0° |
| CAM | CAY | CAL | HAL | 179.9° | 180.0° |
| CAM | CAY | CAN | HAN | 33.3° | 150.0° |
| CAM | CAY | CAN | HANA | 153.3° | 29.9° |
| NAR | CAN | CAY | HAN | 120.0° | 120.0° |
| NAR | CAN | CAY | HANA | 120.0° | 119.9° |
| CAN | NAR | CAU | HNAR | 180.0° | 180.0° |
| CAN | NAR | CAU | CBB | 179.8° | 180.0° |
| NAR | CAN | HAN | HANA | 115.8° | 120.0° |
| CAY | CAN | NAR | CAU | 73.1° | 180.0° |
| CAN | CAY | CAL | HAL | 0.0° | 0.1° |
| CAN | CAY | CAM | HAM | 0.1° | 0.0° |
| CAY | CAN | HAN | HANA | 115.8° | 120.0° |
| CAY | CAN | NAR | HNAR | 106.9° | 0.0° |
| NAP | NAO | CAW | OAT | 0.0° | 0.0° |
| NAO | NAP | CBA | OAT | 0.0° | 0.0° |
| NAO | NAP | CBA | CAV | 180.0° | 180.0° |
| CAW | NAO | NAP | CBA | 0.0° | 0.0° |
| NAO | CAW | OAT | CBA | 0.0° | 0.0° |
| NAO | CAW | CAA | HAA | 0.0° | 90.0° |
| NAO | CAW | CAA | HAAA | 120.0° | 149.9° |
| NAO | CAW | CAA | HAAB | 120.0° | 30.0° |
| NAP | CBA | CAV | NAS | 11.1° | 0.0° |
| NAP | CBA | OAT | CAW | 0.0° | 0.0° |
| NAP | CBA | OAT | CAV | 180.0° | 180.0° |
| NAQ | CBB | CAU | NAR | 12.7° | 0.0° |
| NAQ | CBB | CAU | CAZ | 179.9° | 179.9° |
| NAQ | CBB | CAZ | CBD | 0.1° | 0.1° |
| CBB | NAQ | CBC | NBE | 0.0° | 0.0° |
| CBB | NAQ | CBC | CBF | 180.0° | 179.9° |
| NAQ | CBC | CBF | NAS | 152.3° | 120.0° |
| CBC | NAQ | CBB | CAU | 179.9° | 180.0° |
| CBC | NAQ | CBB | CAZ | 0.0° | 0.1° |
| NAQ | CBC | NBE | CBF | 180.0° | 179.9° |
| NAQ | CBC | NBE | CBD | 0.0° | 0.1° |
| NAR | CAU | CBB | CAZ | 167.2° | 179.9° |
| CAU | NAR | CAN | HAN | 46.9° | 60.0° |
| CAU | NAR | CAN | HANA | 166.9° | 60.0° |
| CAV | NAS | CBF | HNAS | 180.0° | 180.0° |
| NAS | CAV | CBA | OAT | 168.9° | 180.0° |
| CAV | NAS | CBF | CBC | 62.3° | 180.0° |
| CBF | NAS | CAV | CBA | 179.9° | 180.0° |
| NAS | CBF | CBC | NBE | 27.6° | 60.1° |
| NAS | CBF | CAC | HAC | 57.4° | 180.0° |
| NAS | CBF | CAC | HACA | 177.4° | 60.0° |
| NAS | CBF | CAC | HACB | 62.6° | 59.9° |
| NAS | CBF | CAD | HAD | 55.2° | 60.0° |
| NAS | CBF | CAD | HADA | 64.8° | 60.0° |
| NAS | CBF | CAD | HADB | 175.1° | 180.0° |
| CAW | OAT | CBA | CAV | 180.0° | 180.0° |
| OAT | CAW | CAA | HAA | 179.9° | 90.0° |
| OAT | CAW | CAA | HAAA | 60.0° | 30.1° |
| OAT | CAW | CAA | HAAB | 60.1° | 150.0° |
| CAU | CBB | CAZ | CBD | 180.0° | 180.0° |
| CBB | CAU | NAR | HNAR | 0.2° | 0.0° |
| CBA | CAV | NAS | HNAS | 0.1° | 0.0° |
| CBB | CAZ | CBD | NBE | 0.1° | 0.0° |
| CBB | CAZ | OAH | HOAH | 179.9° | 180.0° |
| CAZ | CBD | NBE | CBC | 0.1° | 0.1° |
| CBD | CAZ | OAH | HOAH | 0.0° | 0.0° |
| CBC | NBE | CAB | HAB | 180.0° | 90.0° |
| CBC | NBE | CAB | HABA | 60.0° | 149.9° |
| CBC | NBE | CAB | HABB | 60.0° | 30.0° |
| CBF | CBC | NBE | CBD | 180.0° | 180.0° |
| CBC | CBF | CAC | HAC | 56.2° | 60.0° |
| CBC | CBF | CAC | HACA | 63.8° | 60.0° |
| CBC | CBF | CAC | HACB | 176.2° | 179.9° |
| CBC | CBF | CAD | HAD | 57.0° | 180.0° |
| CBC | CBF | CAD | HADA | 177.0° | 60.0° |
| CBC | CBF | CAD | HADB | 63.0° | 60.0° |
| CBC | CBF | NAS | HNAS | 117.7° | 0.0° |
| CBD | NBE | CAB | HAB | 0.0° | 90.1° |
| CBD | NBE | CAB | HABA | 120.0° | 30.0° |
| CBD | NBE | CAB | HABB | 120.0° | 149.9° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAD | CAD | HADA | HADB | 119.9° | 120.0° |
| HAJ | CAJ | CAL | HAL | 0.0° | 0.3° |
| HAK | CAK | CAM | HAM | 0.1° | 0.0° |
| HAN | CAN | NAR | HNAR | 133.1° | 120.0° |
| HANA | CAN | NAR | HNAR | 13.1° | 120.0° |
