R5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAX | sing | 1.53Å | 1.53Å | |
| CAA | CAX | sing | 1.53Å | 1.54Å | |
| CAX | CAC | sing | 1.53Å | 1.54Å | |
| CAX | OAQ | sing | 1.45Å | 1.46Å | |
| OAF | NAO | sing | 1.42Å | 1.58Å | |
| OAQ | CAR | sing | 1.35Å | 1.38Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| NAO | C | sing | 1.35Å | 1.33Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| OAD | CAR | doub | 1.21Å | 1.23Å | |
| CAR | N | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| CA | CAT | sing | 1.51Å | 1.40Å | |
| CAT | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | NAW | sing | 1.40Å | 1.33Å | |
| NAW | NAN | sing | 1.40Å | 1.21Å | Aromatic |
| NAW | CAM | sing | 1.35Å | 1.34Å | Aromatic |
| NAN | CAH | doub | 1.31Å | 1.33Å | Aromatic |
| CAM | CAG | doub | 1.35Å | 1.33Å | Aromatic |
| CAH | CAG | sing | 1.40Å | 1.33Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| NAO | H12 | sing | 0.97Å | 1.00Å | |
| OAF | H13 | sing | 0.97Å | 0.95Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAL | H15 | sing | 1.08Å | 1.08Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å | |
| CAH | H18 | sing | 1.08Å | 1.08Å | |
| CAG | H19 | sing | 1.08Å | 1.08Å | |
| CAM | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAX | CAA | 108.6° | 109.5° |
| CAB | CAX | CAC | 110.3° | 109.4° |
| CAB | CAX | OAQ | 110.1° | 109.5° |
| CAX | CAB | H4 | 109.5° | 109.5° |
| CAX | CAB | H5 | 109.5° | 109.5° |
| CAX | CAB | H6 | 109.4° | 109.4° |
| CAA | CAX | CAC | 108.3° | 109.5° |
| CAA | CAX | OAQ | 108.6° | 109.5° |
| CAX | CAA | H1 | 109.5° | 109.4° |
| CAX | CAA | H2 | 109.5° | 109.5° |
| CAX | CAA | H3 | 109.5° | 109.5° |
| CAC | CAX | OAQ | 110.8° | 109.5° |
| CAX | CAC | H7 | 109.5° | 109.5° |
| CAX | CAC | H8 | 109.5° | 109.5° |
| CAX | CAC | H9 | 109.5° | 109.5° |
| CAX | OAQ | CAR | 118.0° | 117.0° |
| OAF | NAO | C | 115.6° | 120.0° |
| OAF | NAO | H12 | 122.2° | 120.0° |
| NAO | OAF | H13 | 109.5° | 114.0° |
| OAQ | CAR | OAD | 121.9° | 120.0° |
| OAQ | CAR | N | 119.3° | 120.0° |
| O | C | NAO | 122.6° | 120.0° |
| O | C | CA | 120.6° | 120.0° |
| NAO | C | CA | 116.7° | 120.0° |
| C | NAO | H12 | 122.2° | 120.1° |
| C | CA | N | 111.2° | 109.5° |
| C | CA | CAT | 111.8° | 109.5° |
| C | CA | H11 | 106.8° | 109.4° |
| OAD | CAR | N | 118.8° | 120.0° |
| CAR | N | CA | 121.1° | 120.0° |
| CAR | N | H10 | 119.4° | 119.9° |
| N | CA | CAT | 110.5° | 109.5° |
| CA | N | H10 | 119.4° | 120.1° |
| N | CA | H11 | 107.7° | 109.5° |
| CA | CAT | CAI | 121.6° | 120.0° |
| CA | CAT | CAJ | 118.4° | 119.9° |
| CAT | CA | H11 | 108.7° | 109.4° |
| CAI | CAT | CAJ | 120.0° | 120.2° |
| CAT | CAI | CAK | 120.1° | 120.1° |
| CAT | CAI | H16 | 120.0° | 120.0° |
| CAT | CAJ | CAL | 120.1° | 120.0° |
| CAT | CAJ | H14 | 119.9° | 120.0° |
| CAI | CAK | CAU | 119.6° | 119.9° |
| CAK | CAI | H16 | 119.9° | 120.0° |
| CAI | CAK | H17 | 120.2° | 120.0° |
| CAJ | CAL | CAU | 119.9° | 120.0° |
| CAL | CAJ | H14 | 119.9° | 120.0° |
| CAJ | CAL | H15 | 120.0° | 120.0° |
| CAK | CAU | CAL | 120.2° | 119.8° |
| CAK | CAU | NAW | 120.5° | 120.1° |
| CAU | CAK | H17 | 120.2° | 120.1° |
| CAL | CAU | NAW | 119.3° | 120.1° |
| CAU | CAL | H15 | 120.1° | 120.0° |
| CAU | NAW | NAN | 126.1° | 126.1° |
| CAU | NAW | CAM | 124.3° | 126.1° |
| NAN | NAW | CAM | 109.7° | 107.9° |
| NAW | NAN | CAH | 109.9° | 108.2° |
| NAW | CAM | CAG | 107.5° | 107.7° |
| NAW | CAM | H20 | 126.2° | 126.1° |
| NAN | CAH | CAG | 107.4° | 108.3° |
| NAN | CAH | H18 | 126.3° | 125.9° |
| CAM | CAG | CAH | 105.5° | 107.9° |
| CAM | CAG | H19 | 127.2° | 126.0° |
| CAG | CAM | H20 | 126.3° | 126.1° |
| CAG | CAH | H18 | 126.3° | 125.9° |
| CAH | CAG | H19 | 127.2° | 126.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.4° |
| H7 | CAC | H9 | 109.4° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAX | CAA | CAC | 119.8° | 120.0° |
| CAB | CAX | CAA | OAQ | 119.7° | 120.0° |
| CAB | CAX | CAC | OAQ | 122.2° | 120.0° |
| CAB | CAX | OAQ | CAR | 58.5° | 60.0° |
| CAB | CAX | CAA | H1 | 180.0° | 60.0° |
| CAB | CAX | CAA | H2 | 60.0° | 60.0° |
| CAB | CAX | CAA | H3 | 60.0° | 180.0° |
| CAX | CAB | H4 | H5 | 120.0° | 120.1° |
| CAX | CAB | H4 | H6 | 120.0° | 120.0° |
| CAX | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAX | CAC | H7 | 180.0° | 180.0° |
| CAB | CAX | CAC | H8 | 60.0° | 60.0° |
| CAB | CAX | CAC | H9 | 60.0° | 60.0° |
| CAA | CAX | CAC | OAQ | 119.0° | 120.0° |
| CAA | CAX | OAQ | CAR | 177.3° | 60.0° |
| CAX | CAA | H1 | H2 | 120.0° | 120.0° |
| CAX | CAA | H1 | H3 | 120.0° | 120.0° |
| CAX | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAX | CAB | H4 | 180.0° | 59.9° |
| CAA | CAX | CAB | H5 | 60.0° | 180.0° |
| CAA | CAX | CAB | H6 | 60.0° | 60.0° |
| CAA | CAX | CAC | H7 | 61.2° | 60.0° |
| CAA | CAX | CAC | H8 | 58.8° | 180.0° |
| CAA | CAX | CAC | H9 | 178.8° | 60.0° |
| CAC | CAX | OAQ | CAR | 63.9° | 180.0° |
| CAC | CAX | CAA | H1 | 60.2° | 60.0° |
| CAC | CAX | CAA | H2 | 179.8° | 180.0° |
| CAC | CAX | CAA | H3 | 59.9° | 60.0° |
| CAC | CAX | CAB | H4 | 61.4° | 60.0° |
| CAC | CAX | CAB | H5 | 58.6° | 60.0° |
| CAC | CAX | CAB | H6 | 178.6° | 180.0° |
| CAX | CAC | H7 | H8 | 120.0° | 120.0° |
| CAX | CAC | H7 | H9 | 120.0° | 120.0° |
| CAX | CAC | H8 | H9 | 120.0° | 120.1° |
| CAX | OAQ | CAR | OAD | 12.5° | 0.0° |
| CAX | OAQ | CAR | N | 167.2° | 180.0° |
| OAQ | CAX | CAA | H1 | 60.3° | 180.0° |
| OAQ | CAX | CAA | H2 | 59.7° | 60.0° |
| OAQ | CAX | CAA | H3 | 179.7° | 60.0° |
| OAQ | CAX | CAB | H4 | 61.2° | 180.0° |
| OAQ | CAX | CAB | H5 | 178.8° | 60.0° |
| OAQ | CAX | CAB | H6 | 58.8° | 60.0° |
| OAQ | CAX | CAC | H7 | 57.8° | 60.0° |
| OAQ | CAX | CAC | H8 | 177.8° | 59.9° |
| OAQ | CAX | CAC | H9 | 62.2° | 180.0° |
| OAF | NAO | C | O | 3.1° | 0.0° |
| OAF | NAO | C | H12 | 180.0° | 180.0° |
| OAF | NAO | C | CA | 179.8° | 180.0° |
| OAQ | CAR | OAD | N | 179.7° | 180.0° |
| OAQ | CAR | N | CA | 0.6° | 180.0° |
| OAQ | CAR | N | H10 | 179.4° | 0.0° |
| O | C | NAO | CA | 177.0° | 180.0° |
| O | C | CA | N | 152.5° | 0.0° |
| O | C | CA | CAT | 83.5° | 120.0° |
| O | C | CA | H11 | 35.3° | 120.0° |
| O | C | NAO | H12 | 176.9° | 179.9° |
| NAO | C | CA | N | 24.6° | 180.0° |
| NAO | C | CA | CAT | 99.4° | 59.9° |
| NAO | C | CA | H11 | 141.8° | 60.0° |
| C | NAO | OAF | H13 | 1.4° | 180.0° |
| C | CA | N | CAR | 88.5° | 85.0° |
| C | CA | N | CAT | 124.7° | 120.0° |
| C | CA | N | H11 | 116.7° | 120.0° |
| C | CA | CAT | H11 | 117.7° | 120.0° |
| C | CA | CAT | CAI | 28.9° | 99.9° |
| C | CA | CAT | CAJ | 151.1° | 79.7° |
| C | CA | N | H10 | 91.5° | 95.0° |
| CA | C | NAO | H12 | 0.2° | 0.0° |
| OAD | CAR | N | CA | 179.8° | 0.0° |
| OAD | CAR | N | H10 | 0.3° | 180.0° |
| CAR | N | CA | H10 | 180.0° | 180.0° |
| CAR | N | CA | CAT | 146.9° | 155.0° |
| CAR | N | CA | H11 | 28.2° | 35.0° |
| N | CA | CAT | H11 | 118.0° | 120.0° |
| N | CA | CAT | CAI | 95.5° | 140.0° |
| N | CA | CAT | CAJ | 84.6° | 40.3° |
| CA | CAT | CAI | CAJ | 179.9° | 179.7° |
| CA | CAT | CAI | CAK | 180.0° | 180.0° |
| CA | CAT | CAJ | CAL | 179.9° | 180.0° |
| CAT | CA | N | H10 | 33.2° | 25.0° |
| CA | CAT | CAJ | H14 | 0.1° | 0.0° |
| CA | CAT | CAI | H16 | 0.0° | 0.1° |
| CAT | CAI | CAK | H16 | 180.0° | 180.0° |
| CAI | CAT | CAJ | CAL | 0.2° | 0.3° |
| CAT | CAI | CAK | CAU | 0.2° | 0.0° |
| CAI | CAT | CA | H11 | 146.5° | 20.0° |
| CAI | CAT | CAJ | H14 | 179.8° | 179.7° |
| CAT | CAI | CAK | H17 | 179.8° | 180.0° |
| CAJ | CAT | CAI | CAK | 0.1° | 0.3° |
| CAT | CAJ | CAL | H14 | 180.0° | 180.0° |
| CAT | CAJ | CAL | CAU | 0.0° | 0.1° |
| CAJ | CAT | CA | H11 | 33.4° | 160.3° |
| CAT | CAJ | CAL | H15 | 180.0° | 180.0° |
| CAJ | CAT | CAI | H16 | 179.9° | 179.8° |
| CAI | CAK | CAU | H17 | 180.0° | 180.0° |
| CAI | CAK | CAU | CAL | 0.4° | 0.3° |
| CAI | CAK | CAU | NAW | 179.4° | 179.9° |
| CAJ | CAL | CAU | CAK | 0.3° | 0.2° |
| CAJ | CAL | CAU | H15 | 180.0° | 180.0° |
| CAJ | CAL | CAU | NAW | 179.3° | 180.0° |
| CAK | CAU | CAL | NAW | 179.0° | 179.8° |
| CAK | CAU | NAW | NAN | 1.6° | 179.7° |
| CAK | CAU | NAW | CAM | 177.2° | 0.1° |
| CAK | CAU | CAL | H15 | 179.7° | 179.8° |
| CAU | CAK | CAI | H16 | 179.8° | 180.0° |
| CAL | CAU | NAW | NAN | 179.4° | 0.1° |
| CAL | CAU | NAW | CAM | 1.8° | 179.7° |
| CAU | CAL | CAJ | H14 | 180.0° | 179.9° |
| CAL | CAU | CAK | H17 | 179.6° | 179.8° |
| CAU | NAW | NAN | CAM | 179.0° | 179.7° |
| CAU | NAW | NAN | CAH | 179.6° | 180.0° |
| CAU | NAW | CAM | CAG | 179.4° | 179.9° |
| NAW | CAU | CAL | H15 | 0.7° | 0.0° |
| NAW | CAU | CAK | H17 | 0.6° | 0.0° |
| CAU | NAW | CAM | H20 | 0.5° | 0.0° |
| NAN | NAW | CAM | CAG | 0.4° | 0.4° |
| NAW | NAN | CAH | CAG | 0.5° | 0.0° |
| NAW | NAN | CAH | H18 | 179.5° | 180.0° |
| NAN | NAW | CAM | H20 | 179.6° | 179.7° |
| CAM | NAW | NAN | CAH | 0.6° | 0.2° |
| NAW | CAM | CAG | H20 | 180.0° | 179.9° |
| NAW | CAM | CAG | CAH | 0.1° | 0.4° |
| NAW | CAM | CAG | H19 | 179.9° | 179.9° |
| NAN | CAH | CAG | CAM | 0.2° | 0.2° |
| NAN | CAH | CAG | H18 | 180.0° | 180.0° |
| NAN | CAH | CAG | H19 | 179.8° | 180.0° |
| CAM | CAG | CAH | H19 | 180.0° | 179.8° |
| CAM | CAG | CAH | H18 | 179.8° | 179.8° |
| CAH | CAG | CAM | H20 | 179.9° | 179.8° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H10 | N | CA | H11 | 151.8° | 145.0° |
| H12 | NAO | OAF | H13 | 178.6° | 0.0° |
| H14 | CAJ | CAL | H15 | 0.0° | 0.0° |
| H16 | CAI | CAK | H17 | 0.2° | 0.0° |
| H18 | CAH | CAG | H19 | 0.2° | 0.0° |
| H19 | CAG | CAM | H20 | 0.1° | 0.0° |
