HRJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAW | doub | 1.22Å | 1.24Å | |
| OAF | CAT | sing | 1.36Å | 1.33Å | |
| CAW | CAT | sing | 1.47Å | 1.39Å | |
| CAW | CAJ | sing | 1.41Å | 1.40Å | |
| CAT | CAV | doub | 1.37Å | 1.38Å | |
| CAJ | CAR | doub | 1.38Å | 1.40Å | |
| OAB | CAO | doub | 1.21Å | 1.26Å | |
| CAV | CAO | sing | 1.47Å | 1.37Å | |
| CAV | NAL | sing | 1.37Å | 1.40Å | |
| CAA | CAP | sing | 1.51Å | 1.43Å | |
| CAO | OAE | sing | 1.35Å | 1.23Å | |
| CAR | NAL | sing | 1.36Å | 1.38Å | |
| CAR | CAU | sing | 1.48Å | 1.42Å | |
| CAP | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAP | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAH | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAQ | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAS | sing | 1.48Å | 1.37Å | |
| NAM | CAS | sing | 1.39Å | 1.37Å | |
| NAM | CAX | sing | 1.36Å | 1.35Å | |
| CAS | NAK | doub | 1.30Å | 1.34Å | |
| OAD | CAX | doub | 1.22Å | 1.25Å | |
| CAX | OAN | sing | 1.34Å | 1.32Å | |
| NAK | OAN | sing | 1.21Å | 1.61Å | |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| OAF | H2 | sing | 0.97Å | 0.95Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| NAM | H11 | sing | 0.97Å | 1.00Å | |
| NAL | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAW | CAT | 123.5° | 120.7° |
| OAC | CAW | CAJ | 119.4° | 120.9° |
| OAF | CAT | CAW | 120.4° | 120.7° |
| OAF | CAT | CAV | 118.9° | 120.6° |
| CAT | OAF | H2 | 109.5° | 114.0° |
| CAT | CAW | CAJ | 117.1° | 118.4° |
| CAW | CAT | CAV | 120.7° | 118.8° |
| CAW | CAJ | CAR | 123.5° | 119.4° |
| CAW | CAJ | H3 | 118.2° | 120.4° |
| CAT | CAV | CAO | 124.6° | 119.7° |
| CAT | CAV | NAL | 120.5° | 120.5° |
| CAJ | CAR | NAL | 117.1° | 121.2° |
| CAJ | CAR | CAU | 116.3° | 119.4° |
| CAR | CAJ | H3 | 118.3° | 120.3° |
| OAB | CAO | CAV | 124.5° | 120.0° |
| OAB | CAO | OAE | 120.4° | 120.1° |
| CAO | CAV | NAL | 114.9° | 119.8° |
| CAV | CAO | OAE | 114.8° | 120.0° |
| CAV | NAL | CAR | 120.9° | 121.8° |
| CAV | NAL | H12 | 119.5° | 119.1° |
| CAA | CAP | CAU | 122.4° | 120.0° |
| CAA | CAP | CAI | 117.5° | 120.0° |
| CAP | CAA | H5 | 109.5° | 109.5° |
| CAP | CAA | H6 | 109.5° | 109.4° |
| CAP | CAA | H7 | 109.5° | 109.5° |
| CAO | OAE | H1 | 109.5° | 117.0° |
| NAL | CAR | CAU | 126.4° | 119.4° |
| CAR | NAL | H12 | 119.5° | 119.1° |
| CAR | CAU | CAP | 120.2° | 120.0° |
| CAR | CAU | CAH | 121.4° | 120.0° |
| CAU | CAP | CAI | 120.1° | 120.0° |
| CAP | CAU | CAH | 118.2° | 119.9° |
| CAP | CAI | CAQ | 122.7° | 120.0° |
| CAP | CAI | H8 | 118.6° | 120.0° |
| CAU | CAH | CAG | 121.2° | 120.0° |
| CAU | CAH | H9 | 119.4° | 120.0° |
| CAI | CAQ | CAG | 116.9° | 120.0° |
| CAI | CAQ | CAS | 119.6° | 120.0° |
| CAQ | CAI | H8 | 118.7° | 120.0° |
| CAH | CAG | CAQ | 120.8° | 120.1° |
| CAG | CAH | H9 | 119.4° | 120.0° |
| CAH | CAG | H10 | 119.6° | 120.0° |
| CAG | CAQ | CAS | 123.5° | 120.0° |
| CAQ | CAG | H10 | 119.6° | 120.0° |
| CAQ | CAS | NAM | 122.9° | 126.5° |
| CAQ | CAS | NAK | 127.5° | 126.5° |
| CAS | NAM | CAX | 112.4° | 104.4° |
| NAM | CAS | NAK | 109.5° | 107.0° |
| CAS | NAM | H11 | 123.8° | 127.9° |
| NAM | CAX | OAD | 125.0° | 126.9° |
| NAM | CAX | OAN | 110.0° | 106.2° |
| CAX | NAM | H11 | 123.8° | 127.8° |
| CAS | NAK | OAN | 103.2° | 111.5° |
| OAD | CAX | OAN | 124.9° | 126.9° |
| CAX | OAN | NAK | 104.9° | 110.9° |
| H5 | CAA | H6 | 109.5° | 109.5° |
| H5 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAW | CAT | OAF | 0.3° | 0.1° |
| OAC | CAW | CAT | CAJ | 179.2° | 179.9° |
| OAC | CAW | CAT | CAV | 179.1° | 180.0° |
| OAC | CAW | CAJ | CAR | 177.9° | 179.8° |
| OAC | CAW | CAJ | H3 | 2.1° | 0.1° |
| OAF | CAT | CAW | CAV | 179.4° | 180.0° |
| OAF | CAT | CAW | CAJ | 178.9° | 180.0° |
| OAF | CAT | CAV | CAO | 1.4° | 0.0° |
| OAF | CAT | CAV | NAL | 178.1° | 179.7° |
| CAT | CAW | CAJ | CAR | 1.3° | 0.3° |
| CAW | CAT | CAV | CAO | 178.0° | 179.9° |
| CAW | CAT | CAV | NAL | 2.5° | 0.2° |
| CAW | CAT | OAF | H2 | 179.7° | 0.0° |
| CAT | CAW | CAJ | H3 | 178.6° | 180.0° |
| CAJ | CAW | CAT | CAV | 1.7° | 0.0° |
| CAW | CAJ | CAR | H3 | 180.0° | 179.7° |
| CAW | CAJ | CAR | NAL | 3.5° | 0.3° |
| CAW | CAJ | CAR | CAU | 179.0° | 180.0° |
| CAT | CAV | CAO | OAB | 3.8° | 179.7° |
| CAT | CAV | CAO | NAL | 179.5° | 179.7° |
| CAT | CAV | CAO | OAE | 169.5° | 0.6° |
| CAT | CAV | NAL | CAR | 0.2° | 0.3° |
| CAV | CAT | OAF | H2 | 0.2° | 180.0° |
| CAT | CAV | NAL | H12 | 179.8° | 179.7° |
| CAJ | CAR | NAL | CAV | 2.7° | 0.0° |
| CAJ | CAR | NAL | CAU | 175.0° | 179.7° |
| CAJ | CAR | CAU | CAP | 58.7° | 123.3° |
| CAJ | CAR | CAU | CAH | 115.7° | 56.9° |
| CAJ | CAR | NAL | H12 | 177.3° | 179.9° |
| OAB | CAO | CAV | OAE | 173.3° | 179.7° |
| OAB | CAO | CAV | NAL | 175.7° | 0.0° |
| OAB | CAO | OAE | H1 | 0.0° | 0.1° |
| CAO | CAV | NAL | CAR | 179.8° | 180.0° |
| CAV | CAO | OAE | H1 | 173.6° | 179.7° |
| CAO | CAV | NAL | H12 | 0.2° | 0.0° |
| NAL | CAV | CAO | OAE | 11.0° | 179.7° |
| CAV | NAL | CAR | H12 | 180.0° | 179.9° |
| CAV | NAL | CAR | CAU | 177.7° | 179.7° |
| CAA | CAP | CAU | CAR | 5.1° | 0.0° |
| CAA | CAP | CAU | CAI | 179.8° | 180.0° |
| CAA | CAP | CAU | CAH | 179.7° | 179.8° |
| CAA | CAP | CAI | CAQ | 178.9° | 179.9° |
| CAP | CAA | H5 | H6 | 120.0° | 119.9° |
| CAP | CAA | H5 | H7 | 120.0° | 120.1° |
| CAP | CAA | H6 | H7 | 120.0° | 120.1° |
| CAA | CAP | CAI | H8 | 1.1° | 0.0° |
| NAL | CAR | CAU | CAP | 126.2° | 56.4° |
| NAL | CAR | CAU | CAH | 59.3° | 123.4° |
| NAL | CAR | CAJ | H3 | 176.5° | 180.0° |
| CAR | CAU | CAP | CAH | 174.6° | 179.8° |
| CAR | CAU | CAP | CAI | 175.1° | 180.0° |
| CAR | CAU | CAH | CAG | 175.8° | 180.0° |
| CAU | CAR | CAJ | H3 | 1.0° | 0.3° |
| CAR | CAU | CAH | H9 | 4.2° | 0.1° |
| CAU | CAR | NAL | H12 | 2.3° | 0.3° |
| CAU | CAP | CAI | CAQ | 0.9° | 0.0° |
| CAP | CAU | CAH | CAG | 1.2° | 0.2° |
| CAU | CAP | CAA | H5 | 89.9° | 94.5° |
| CAU | CAP | CAA | H6 | 150.1° | 145.5° |
| CAU | CAP | CAA | H7 | 30.1° | 25.5° |
| CAU | CAP | CAI | H8 | 179.1° | 180.0° |
| CAP | CAU | CAH | H9 | 178.8° | 179.7° |
| CAI | CAP | CAU | CAH | 0.5° | 0.2° |
| CAP | CAI | CAQ | H8 | 180.0° | 179.9° |
| CAP | CAI | CAQ | CAG | 1.5° | 0.3° |
| CAP | CAI | CAQ | CAS | 178.8° | 180.0° |
| CAI | CAP | CAA | H5 | 89.9° | 85.5° |
| CAI | CAP | CAA | H6 | 30.1° | 34.5° |
| CAI | CAP | CAA | H7 | 150.1° | 154.5° |
| CAU | CAH | CAG | H9 | 180.0° | 179.9° |
| CAU | CAH | CAG | CAQ | 0.6° | 0.1° |
| CAU | CAH | CAG | H10 | 179.4° | 179.9° |
| CAI | CAQ | CAG | CAH | 0.7° | 0.4° |
| CAI | CAQ | CAG | CAS | 177.1° | 179.6° |
| CAI | CAQ | CAS | NAM | 26.4° | 179.7° |
| CAI | CAQ | CAS | NAK | 158.0° | 0.0° |
| CAI | CAQ | CAG | H10 | 179.3° | 179.7° |
| CAH | CAG | CAQ | H10 | 180.0° | 179.9° |
| CAH | CAG | CAQ | CAS | 177.9° | 180.0° |
| CAG | CAQ | CAS | NAM | 150.6° | 0.0° |
| CAG | CAQ | CAS | NAK | 24.9° | 179.7° |
| CAG | CAQ | CAI | H8 | 178.5° | 179.7° |
| CAQ | CAG | CAH | H9 | 179.4° | 180.0° |
| CAQ | CAS | NAM | NAK | 176.3° | 179.7° |
| CAQ | CAS | NAM | CAX | 178.6° | 179.9° |
| CAQ | CAS | NAK | OAN | 178.3° | 180.0° |
| CAS | CAQ | CAI | H8 | 1.2° | 0.1° |
| CAS | CAQ | CAG | H10 | 2.2° | 0.0° |
| CAQ | CAS | NAM | H11 | 1.4° | 0.0° |
| CAS | NAM | CAX | H11 | 180.0° | 179.8° |
| CAS | NAM | CAX | OAD | 179.2° | 179.9° |
| CAS | NAM | CAX | OAN | 1.1° | 0.4° |
| NAM | CAS | NAK | OAN | 2.3° | 0.2° |
| CAX | NAM | CAS | NAK | 2.3° | 0.4° |
| NAM | CAX | OAD | OAN | 179.7° | 179.7° |
| NAM | CAX | OAN | NAK | 0.4° | 0.3° |
| CAS | NAK | OAN | CAX | 1.7° | 0.0° |
| NAK | CAS | NAM | H11 | 177.7° | 179.8° |
| OAD | CAX | OAN | NAK | 179.4° | 180.0° |
| OAD | CAX | NAM | H11 | 0.8° | 0.1° |
| OAN | CAX | NAM | H11 | 178.9° | 179.8° |
| H5 | CAA | H6 | H7 | 120.0° | 120.0° |
| H9 | CAH | CAG | H10 | 0.6° | 0.0° |
