RRH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAT | doub | 1.21Å | 1.25Å | |
| OAS | CBA | sing | 1.43Å | 1.44Å | |
| OAS | CAV | sing | 1.36Å | 1.36Å | |
| CAT | OAD | sing | 1.34Å | 1.25Å | |
| CAT | CBA | sing | 1.51Å | 1.53Å | |
| CBA | CAR | sing | 1.53Å | 1.53Å | |
| CAV | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAZ | sing | 1.53Å | 1.53Å | |
| CAP | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CAX | sing | 1.48Å | 1.39Å | |
| CAR | CAU | sing | 1.51Å | 1.53Å | |
| CAX | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAY | sing | 1.51Å | 1.53Å | |
| CAZ | CAA | sing | 1.53Å | 1.53Å | |
| CAY | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAZ | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAQ | H12 | sing | 1.08Å | 1.08Å | |
| CAO | H13 | sing | 1.08Å | 1.08Å | |
| CAP | H14 | sing | 1.08Å | 1.08Å | |
| CAN | H15 | sing | 1.08Å | 1.08Å | |
| CBA | H16 | sing | 1.09Å | 1.10Å | |
| OAD | H17 | sing | 0.97Å | 0.95Å | |
| CAR | H18 | sing | 1.09Å | 1.10Å | |
| CAR | H19 | sing | 1.09Å | 1.10Å | |
| CAJ | H20 | sing | 1.08Å | 1.08Å | |
| CAF | H21 | sing | 1.08Å | 1.08Å | |
| CAE | H22 | sing | 1.08Å | 1.08Å | |
| CAG | H23 | sing | 1.08Å | 1.08Å | |
| CAK | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAT | OAD | 123.7° | 120.0° |
| OAC | CAT | CBA | 117.9° | 120.0° |
| CBA | OAS | CAV | 115.5° | 117.0° |
| OAS | CBA | CAT | 109.9° | 109.5° |
| OAS | CBA | CAR | 111.1° | 109.4° |
| OAS | CBA | H16 | 108.4° | 109.5° |
| OAS | CAV | CAO | 119.1° | 119.9° |
| OAS | CAV | CAN | 121.7° | 120.0° |
| OAD | CAT | CBA | 118.4° | 120.0° |
| CAT | OAD | H17 | 109.5° | 117.0° |
| CAT | CBA | CAR | 112.9° | 109.5° |
| CAT | CBA | H16 | 107.2° | 109.5° |
| CBA | CAR | CAU | 112.8° | 109.5° |
| CAR | CBA | H16 | 107.2° | 109.5° |
| CBA | CAR | H18 | 108.6° | 109.5° |
| CBA | CAR | H19 | 108.6° | 109.5° |
| CAO | CAV | CAN | 119.2° | 120.1° |
| CAV | CAO | CAQ | 120.2° | 120.1° |
| CAV | CAO | H13 | 119.9° | 120.0° |
| CAV | CAN | CAP | 120.5° | 120.1° |
| CAV | CAN | H15 | 119.8° | 120.0° |
| CAO | CAQ | CAW | 120.6° | 119.9° |
| CAO | CAQ | H12 | 119.7° | 120.0° |
| CAQ | CAO | H13 | 119.9° | 119.9° |
| CAN | CAP | CAW | 120.3° | 119.9° |
| CAN | CAP | H14 | 119.8° | 120.1° |
| CAP | CAN | H15 | 119.7° | 119.9° |
| CAQ | CAW | CAP | 119.1° | 119.9° |
| CAQ | CAW | CAX | 118.8° | 120.0° |
| CAW | CAQ | H12 | 119.7° | 120.0° |
| CAB | CAZ | CAY | 109.6° | 109.5° |
| CAB | CAZ | CAA | 110.6° | 109.5° |
| CAB | CAZ | H4 | 109.1° | 109.5° |
| CAZ | CAB | H5 | 109.5° | 109.5° |
| CAZ | CAB | H6 | 109.5° | 109.5° |
| CAZ | CAB | H7 | 109.5° | 109.5° |
| CAP | CAW | CAX | 122.1° | 120.1° |
| CAW | CAP | H14 | 119.8° | 120.1° |
| CAW | CAX | CAL | 117.2° | 120.2° |
| CAW | CAX | CAY | 123.5° | 120.1° |
| CAR | CAU | CAJ | 120.6° | 120.0° |
| CAR | CAU | CAK | 119.5° | 119.9° |
| CAU | CAR | H18 | 108.6° | 109.4° |
| CAU | CAR | H19 | 108.6° | 109.5° |
| CAL | CAX | CAY | 119.3° | 119.7° |
| CAX | CAL | CAH | 120.9° | 119.9° |
| CAX | CAL | H11 | 119.6° | 120.0° |
| CAX | CAY | CAZ | 122.5° | 120.0° |
| CAX | CAY | CAM | 119.9° | 119.9° |
| CAL | CAH | CAI | 119.7° | 120.1° |
| CAL | CAH | H10 | 120.2° | 119.9° |
| CAH | CAL | H11 | 119.6° | 120.1° |
| CAJ | CAU | CAK | 119.9° | 120.0° |
| CAU | CAJ | CAF | 119.9° | 120.0° |
| CAU | CAJ | H20 | 120.0° | 120.0° |
| CAU | CAK | CAG | 120.0° | 120.0° |
| CAU | CAK | H24 | 120.0° | 120.1° |
| CAJ | CAF | CAE | 120.2° | 120.0° |
| CAF | CAJ | H20 | 120.1° | 120.0° |
| CAJ | CAF | H21 | 119.9° | 120.0° |
| CAY | CAZ | CAA | 109.1° | 109.5° |
| CAZ | CAY | CAM | 117.6° | 120.1° |
| CAY | CAZ | H4 | 109.1° | 109.5° |
| CAZ | CAA | H1 | 109.5° | 109.5° |
| CAZ | CAA | H2 | 109.5° | 109.4° |
| CAZ | CAA | H3 | 109.5° | 109.5° |
| CAA | CAZ | H4 | 109.2° | 109.4° |
| CAY | CAM | CAI | 120.6° | 120.1° |
| CAY | CAM | H8 | 119.7° | 120.0° |
| CAK | CAG | CAE | 120.0° | 120.0° |
| CAK | CAG | H23 | 120.0° | 120.0° |
| CAG | CAK | H24 | 120.0° | 120.0° |
| CAH | CAI | CAM | 119.6° | 120.2° |
| CAH | CAI | H9 | 120.2° | 119.9° |
| CAI | CAH | H10 | 120.1° | 120.0° |
| CAF | CAE | CAG | 120.0° | 120.0° |
| CAE | CAF | H21 | 119.9° | 120.0° |
| CAF | CAE | H22 | 120.0° | 120.0° |
| CAG | CAE | H22 | 120.0° | 120.0° |
| CAE | CAG | H23 | 120.0° | 120.0° |
| CAI | CAM | H8 | 119.7° | 119.9° |
| CAM | CAI | H9 | 120.2° | 119.9° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H7 | 109.4° | 109.4° |
| H6 | CAB | H7 | 109.5° | 109.5° |
| H18 | CAR | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAT | CBA | OAS | 2.2° | 5.0° |
| OAC | CAT | OAD | CBA | 179.0° | 179.9° |
| OAC | CAT | CBA | CAR | 122.4° | 115.0° |
| OAC | CAT | CBA | H16 | 119.8° | 125.0° |
| OAC | CAT | OAD | H17 | 0.0° | 0.1° |
| OAS | CBA | CAT | OAD | 176.9° | 175.0° |
| OAS | CBA | CAT | CAR | 124.6° | 120.0° |
| OAS | CBA | CAT | H16 | 117.6° | 120.0° |
| OAS | CBA | CAR | H16 | 118.2° | 120.0° |
| CBA | OAS | CAV | CAO | 146.9° | 174.6° |
| CBA | OAS | CAV | CAN | 35.1° | 5.2° |
| OAS | CBA | CAR | CAU | 165.5° | 65.1° |
| OAS | CBA | CAR | H18 | 74.0° | 175.0° |
| OAS | CBA | CAR | H19 | 45.0° | 55.0° |
| CAV | OAS | CBA | CAT | 80.2° | 84.4° |
| CAV | OAS | CBA | CAR | 45.5° | 155.6° |
| OAS | CAV | CAO | CAN | 178.1° | 179.8° |
| OAS | CAV | CAO | CAQ | 178.3° | 180.0° |
| OAS | CAV | CAN | CAP | 177.9° | 179.9° |
| OAS | CAV | CAO | H13 | 1.7° | 0.0° |
| OAS | CAV | CAN | H15 | 2.1° | 0.1° |
| CAV | OAS | CBA | H16 | 162.9° | 35.6° |
| OAD | CAT | CBA | CAR | 58.5° | 65.1° |
| OAD | CAT | CBA | H16 | 59.3° | 54.9° |
| CAT | CBA | CAR | H16 | 117.8° | 120.0° |
| CAT | CBA | CAR | CAU | 70.5° | 175.0° |
| CBA | CAT | OAD | H17 | 179.0° | 180.0° |
| CAT | CBA | CAR | H18 | 50.0° | 55.0° |
| CAT | CBA | CAR | H19 | 169.0° | 64.9° |
| CBA | CAR | CAU | H18 | 120.5° | 120.0° |
| CBA | CAR | CAU | H19 | 120.5° | 120.1° |
| CBA | CAR | CAU | CAJ | 70.7° | 90.0° |
| CBA | CAR | CAU | CAK | 109.2° | 90.3° |
| CBA | CAR | H18 | H19 | 118.5° | 120.0° |
| CAV | CAO | CAQ | H13 | 180.0° | 180.0° |
| CAO | CAV | CAN | CAP | 0.1° | 0.2° |
| CAV | CAO | CAQ | CAW | 0.5° | 0.0° |
| CAV | CAO | CAQ | H12 | 179.5° | 180.0° |
| CAO | CAV | CAN | H15 | 179.8° | 179.7° |
| CAN | CAV | CAO | CAQ | 0.2° | 0.2° |
| CAV | CAN | CAP | H15 | 180.0° | 180.0° |
| CAV | CAN | CAP | CAW | 0.3° | 0.0° |
| CAN | CAV | CAO | H13 | 179.8° | 179.8° |
| CAV | CAN | CAP | H14 | 179.7° | 180.0° |
| CAO | CAQ | CAW | H12 | 180.0° | 179.9° |
| CAO | CAQ | CAW | CAP | 0.3° | 0.3° |
| CAO | CAQ | CAW | CAX | 179.2° | 180.0° |
| CAN | CAP | CAW | CAQ | 0.0° | 0.3° |
| CAN | CAP | CAW | H14 | 180.0° | 180.0° |
| CAN | CAP | CAW | CAX | 179.6° | 180.0° |
| CAQ | CAW | CAP | CAX | 179.5° | 179.7° |
| CAQ | CAW | CAX | CAL | 2.7° | 49.9° |
| CAQ | CAW | CAX | CAY | 177.0° | 129.5° |
| CAW | CAQ | CAO | H13 | 179.6° | 180.0° |
| CAQ | CAW | CAP | H14 | 180.0° | 179.7° |
| CAB | CAZ | CAY | CAX | 90.7° | 120.3° |
| CAB | CAZ | CAY | CAA | 121.3° | 120.0° |
| CAB | CAZ | CAY | H4 | 119.5° | 120.0° |
| CAB | CAZ | CAA | H4 | 120.1° | 120.0° |
| CAB | CAZ | CAY | CAM | 89.2° | 60.0° |
| CAB | CAZ | CAA | H1 | 180.0° | 179.9° |
| CAB | CAZ | CAA | H2 | 60.0° | 60.0° |
| CAB | CAZ | CAA | H3 | 60.0° | 60.0° |
| CAZ | CAB | H5 | H6 | 120.0° | 120.0° |
| CAZ | CAB | H5 | H7 | 120.0° | 120.0° |
| CAZ | CAB | H6 | H7 | 120.0° | 120.0° |
| CAP | CAW | CAX | CAL | 177.8° | 129.7° |
| CAP | CAW | CAX | CAY | 2.6° | 50.8° |
| CAP | CAW | CAQ | H12 | 179.7° | 179.8° |
| CAW | CAP | CAN | H15 | 179.7° | 180.0° |
| CAW | CAX | CAL | CAY | 179.7° | 179.5° |
| CAW | CAX | CAL | CAH | 179.8° | 179.9° |
| CAW | CAX | CAY | CAZ | 0.1° | 0.2° |
| CAW | CAX | CAY | CAM | 179.7° | 180.0° |
| CAW | CAX | CAL | H11 | 0.2° | 0.3° |
| CAX | CAW | CAQ | H12 | 0.8° | 0.1° |
| CAX | CAW | CAP | H14 | 0.5° | 0.0° |
| CAR | CAU | CAJ | CAK | 179.8° | 179.7° |
| CAR | CAU | CAJ | CAF | 179.9° | 180.0° |
| CAR | CAU | CAK | CAG | 179.3° | 179.8° |
| CAU | CAR | CBA | H16 | 47.3° | 55.0° |
| CAU | CAR | H18 | H19 | 118.5° | 120.0° |
| CAR | CAU | CAJ | H20 | 0.1° | 0.1° |
| CAR | CAU | CAK | H24 | 0.8° | 0.0° |
| CAX | CAL | CAH | H11 | 180.0° | 179.7° |
| CAL | CAX | CAY | CAZ | 179.8° | 179.7° |
| CAL | CAX | CAY | CAM | 0.1° | 0.5° |
| CAX | CAL | CAH | CAI | 0.0° | 0.3° |
| CAX | CAL | CAH | H10 | 179.9° | 179.7° |
| CAY | CAX | CAL | CAH | 0.1° | 0.6° |
| CAX | CAY | CAZ | CAM | 179.9° | 179.8° |
| CAX | CAY | CAZ | CAA | 148.0° | 119.8° |
| CAX | CAY | CAM | CAI | 0.0° | 0.2° |
| CAX | CAY | CAZ | H4 | 28.7° | 0.2° |
| CAX | CAY | CAM | H8 | 180.0° | 179.8° |
| CAY | CAX | CAL | H11 | 179.9° | 179.8° |
| CAL | CAH | CAI | H10 | 180.0° | 180.0° |
| CAL | CAH | CAI | CAM | 0.0° | 0.0° |
| CAL | CAH | CAI | H9 | 180.0° | 179.9° |
| CAU | CAJ | CAF | H20 | 180.0° | 179.9° |
| CAJ | CAU | CAK | CAG | 0.6° | 0.5° |
| CAU | CAJ | CAF | CAE | 0.7° | 0.0° |
| CAJ | CAU | CAR | H18 | 49.8° | 30.0° |
| CAJ | CAU | CAR | H19 | 168.9° | 150.0° |
| CAU | CAJ | CAF | H21 | 179.3° | 180.0° |
| CAJ | CAU | CAK | H24 | 179.4° | 179.7° |
| CAK | CAU | CAJ | CAF | 0.3° | 0.3° |
| CAU | CAK | CAG | H24 | 180.0° | 179.8° |
| CAU | CAK | CAG | CAE | 1.0° | 0.5° |
| CAK | CAU | CAR | H18 | 130.3° | 149.7° |
| CAK | CAU | CAR | H19 | 11.3° | 29.8° |
| CAK | CAU | CAJ | H20 | 179.7° | 179.8° |
| CAU | CAK | CAG | H23 | 179.0° | 179.7° |
| CAJ | CAF | CAE | H21 | 180.0° | 180.0° |
| CAJ | CAF | CAE | CAG | 0.4° | 0.0° |
| CAJ | CAF | CAE | H22 | 179.6° | 180.0° |
| CAY | CAZ | CAA | H4 | 119.2° | 120.0° |
| CAZ | CAY | CAM | CAI | 179.8° | 180.0° |
| CAY | CAZ | CAA | H1 | 59.3° | 59.9° |
| CAY | CAZ | CAA | H2 | 179.4° | 60.0° |
| CAY | CAZ | CAA | H3 | 60.6° | 180.0° |
| CAY | CAZ | CAB | H5 | 180.0° | 60.0° |
| CAY | CAZ | CAB | H6 | 60.0° | 180.0° |
| CAY | CAZ | CAB | H7 | 60.0° | 59.9° |
| CAZ | CAY | CAM | H8 | 0.2° | 0.0° |
| CAA | CAZ | CAY | CAM | 32.1° | 60.0° |
| CAZ | CAA | H1 | H2 | 120.0° | 119.9° |
| CAZ | CAA | H1 | H3 | 120.0° | 120.1° |
| CAZ | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAZ | CAB | H5 | 59.6° | 180.0° |
| CAA | CAZ | CAB | H6 | 179.6° | 60.0° |
| CAA | CAZ | CAB | H7 | 60.3° | 60.0° |
| CAY | CAM | CAI | CAH | 0.0° | 0.0° |
| CAY | CAM | CAI | H8 | 180.0° | 180.0° |
| CAM | CAY | CAZ | H4 | 151.4° | 180.0° |
| CAY | CAM | CAI | H9 | 180.0° | 180.0° |
| CAK | CAG | CAE | CAF | 0.5° | 0.2° |
| CAK | CAG | CAE | H23 | 180.0° | 179.8° |
| CAK | CAG | CAE | H22 | 179.5° | 179.8° |
| CAH | CAI | CAM | H9 | 180.0° | 179.9° |
| CAH | CAI | CAM | H8 | 180.0° | 180.0° |
| CAI | CAH | CAL | H11 | 180.0° | 180.0° |
| CAF | CAE | CAG | H22 | 180.0° | 180.0° |
| CAE | CAF | CAJ | H20 | 179.3° | 179.9° |
| CAF | CAE | CAG | H23 | 179.5° | 180.0° |
| CAG | CAE | CAF | H21 | 179.7° | 180.0° |
| CAE | CAG | CAK | H24 | 179.0° | 179.8° |
| CAM | CAI | CAH | H10 | 180.0° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAZ | H4 | 59.9° | 60.1° |
| H2 | CAA | CAZ | H4 | 60.2° | 180.0° |
| H3 | CAA | CAZ | H4 | 179.8° | 60.0° |
| H4 | CAZ | CAB | H5 | 60.6° | 60.1° |
| H4 | CAZ | CAB | H6 | 59.5° | 60.0° |
| H4 | CAZ | CAB | H7 | 179.5° | 180.0° |
| H5 | CAB | H6 | H7 | 120.0° | 120.0° |
| H8 | CAM | CAI | H9 | 0.0° | 0.0° |
| H9 | CAI | CAH | H10 | 0.0° | 0.1° |
| H10 | CAH | CAL | H11 | 0.1° | 0.1° |
| H12 | CAQ | CAO | H13 | 0.4° | 0.0° |
| H14 | CAP | CAN | H15 | 0.3° | 0.0° |
| H16 | CBA | CAR | H18 | 167.8° | 65.0° |
| H16 | CBA | CAR | H19 | 73.2° | 175.1° |
| H20 | CAJ | CAF | H21 | 0.7° | 0.1° |
| H21 | CAF | CAE | H22 | 0.3° | 0.0° |
| H22 | CAE | CAG | H23 | 0.5° | 0.0° |
| H23 | CAG | CAK | H24 | 1.0° | 0.0° |
