5PJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAD | CAC | sing | 1.53Å | 1.54Å | |
| CAE | CAF | sing | 1.53Å | 1.54Å | |
| CAC | CAB | sing | 1.53Å | 1.53Å | |
| CAF | CAA | sing | 1.53Å | 1.55Å | |
| CAB | CAA | sing | 1.53Å | 1.51Å | |
| CAA | CAG | sing | 1.51Å | 1.54Å | |
| CAG | OAJ | doub | 1.21Å | 1.24Å | |
| CAG | CAH | sing | 1.51Å | 1.52Å | |
| CAH | CAI | sing | 1.53Å | 1.55Å | |
| CAO | NAK | sing | 1.35Å | 1.33Å | Aromatic |
| CAO | NAP | doub | 1.31Å | 1.32Å | Aromatic |
| CAI | NAK | sing | 1.47Å | 1.46Å | |
| CAI | CAN | sing | 1.51Å | 1.40Å | |
| NAK | CAL | sing | 1.37Å | 1.34Å | Aromatic |
| FAV | CAU | sing | 1.35Å | 1.38Å | |
| NAP | CAQ | sing | 1.34Å | 1.32Å | Aromatic |
| CAN | CAU | doub | 1.38Å | 1.34Å | Aromatic |
| CAN | CAM | sing | 1.40Å | 1.34Å | Aromatic |
| CAU | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | CAQ | doub | 1.36Å | 1.33Å | Aromatic |
| CAL | CAM | sing | 1.48Å | 1.34Å | |
| CAM | CAR | doub | 1.40Å | 1.34Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAT | H15 | sing | 1.08Å | 1.08Å | |
| CAS | H16 | sing | 1.08Å | 1.08Å | |
| CAR | H17 | sing | 1.08Å | 1.08Å | |
| CAO | H18 | sing | 1.08Å | 1.08Å | |
| CAQ | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAD | CAC | 108.3° | 109.5° |
| CAD | CAE | CAF | 108.4° | 109.5° |
| CAE | CAD | H5 | 109.8° | 109.5° |
| CAE | CAD | H6 | 109.7° | 109.5° |
| CAD | CAE | H7 | 109.8° | 109.5° |
| CAD | CAE | H8 | 109.7° | 109.5° |
| CAD | CAC | CAB | 109.9° | 109.5° |
| CAD | CAC | H3 | 109.4° | 109.4° |
| CAD | CAC | H4 | 109.4° | 109.5° |
| CAC | CAD | H5 | 109.8° | 109.5° |
| CAC | CAD | H6 | 109.7° | 109.4° |
| CAE | CAF | CAA | 109.4° | 109.4° |
| CAF | CAE | H7 | 109.7° | 109.4° |
| CAF | CAE | H8 | 109.7° | 109.4° |
| CAE | CAF | H9 | 109.5° | 109.5° |
| CAE | CAF | H10 | 109.5° | 109.5° |
| CAC | CAB | CAA | 109.4° | 109.5° |
| CAC | CAB | H1 | 109.5° | 109.4° |
| CAC | CAB | H2 | 109.5° | 109.4° |
| CAB | CAC | H3 | 109.4° | 109.4° |
| CAB | CAC | H4 | 109.4° | 109.5° |
| CAF | CAA | CAB | 109.3° | 109.5° |
| CAF | CAA | CAG | 110.4° | 109.4° |
| CAA | CAF | H9 | 109.4° | 109.5° |
| CAA | CAF | H10 | 109.5° | 109.5° |
| CAF | CAA | H11 | 109.1° | 109.5° |
| CAB | CAA | CAG | 109.1° | 109.5° |
| CAA | CAB | H1 | 109.5° | 109.5° |
| CAA | CAB | H2 | 109.5° | 109.5° |
| CAB | CAA | H11 | 109.7° | 109.5° |
| CAA | CAG | OAJ | 122.6° | 120.0° |
| CAA | CAG | CAH | 115.6° | 120.0° |
| CAG | CAA | H11 | 109.2° | 109.5° |
| OAJ | CAG | CAH | 121.8° | 120.0° |
| CAG | CAH | CAI | 111.9° | 109.5° |
| CAG | CAH | H12 | 108.8° | 109.5° |
| CAG | CAH | H13 | 108.9° | 109.5° |
| CAH | CAI | NAK | 116.0° | 110.0° |
| CAH | CAI | CAN | 112.5° | 110.0° |
| CAI | CAH | H12 | 108.9° | 109.5° |
| CAI | CAH | H13 | 108.9° | 109.6° |
| CAH | CAI | H14 | 106.7° | 110.0° |
| NAK | CAO | NAP | 106.4° | 108.9° |
| CAO | NAK | CAI | 145.4° | 144.4° |
| CAO | NAK | CAL | 108.1° | 107.2° |
| NAK | CAO | H18 | 126.8° | 125.5° |
| CAO | NAP | CAQ | 110.8° | 109.5° |
| NAP | CAO | H18 | 126.8° | 125.5° |
| NAK | CAI | CAN | 105.1° | 106.5° |
| CAI | NAK | CAL | 106.1° | 108.4° |
| NAK | CAI | H14 | 107.8° | 110.1° |
| CAI | CAN | CAU | 130.2° | 132.9° |
| CAI | CAN | CAM | 108.3° | 106.9° |
| CAN | CAI | H14 | 108.5° | 110.1° |
| NAK | CAL | CAQ | 108.2° | 106.5° |
| NAK | CAL | CAM | 110.6° | 109.7° |
| FAV | CAU | CAN | 119.4° | 119.9° |
| FAV | CAU | CAT | 120.2° | 120.1° |
| NAP | CAQ | CAL | 106.3° | 107.8° |
| NAP | CAQ | H19 | 126.8° | 126.0° |
| CAU | CAN | CAM | 121.4° | 120.2° |
| CAN | CAU | CAT | 120.4° | 120.0° |
| CAN | CAM | CAL | 109.8° | 108.5° |
| CAN | CAM | CAR | 120.5° | 119.4° |
| CAU | CAT | CAS | 118.5° | 120.2° |
| CAU | CAT | H15 | 120.8° | 119.9° |
| CAQ | CAL | CAM | 141.1° | 143.8° |
| CAL | CAQ | H19 | 126.8° | 126.1° |
| CAL | CAM | CAR | 129.5° | 132.0° |
| CAM | CAR | CAS | 120.2° | 119.9° |
| CAM | CAR | H17 | 119.9° | 120.1° |
| CAT | CAS | CAR | 119.0° | 120.3° |
| CAS | CAT | H15 | 120.7° | 120.0° |
| CAT | CAS | H16 | 120.5° | 119.8° |
| CAR | CAS | H16 | 120.5° | 119.9° |
| CAS | CAR | H17 | 119.9° | 120.0° |
| H1 | CAB | H2 | 109.4° | 109.5° |
| H3 | CAC | H4 | 109.5° | 109.4° |
| H5 | CAD | H6 | 109.5° | 109.5° |
| H7 | CAE | H8 | 109.5° | 109.5° |
| H9 | CAF | H10 | 109.5° | 109.5° |
| H12 | CAH | H13 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAD | CAC | H5 | 119.8° | 120.0° |
| CAE | CAD | CAC | H6 | 119.8° | 120.0° |
| CAD | CAE | CAF | H7 | 119.8° | 120.0° |
| CAD | CAE | CAF | H8 | 119.8° | 120.0° |
| CAE | CAD | CAC | CAB | 61.6° | 59.9° |
| CAD | CAE | CAF | CAA | 61.1° | 60.0° |
| CAE | CAD | CAC | H3 | 178.3° | 60.0° |
| CAE | CAD | CAC | H4 | 58.4° | 180.0° |
| CAE | CAD | H5 | H6 | 120.5° | 120.0° |
| CAD | CAE | H7 | H8 | 120.5° | 120.0° |
| CAD | CAE | CAF | H9 | 178.9° | 180.0° |
| CAD | CAE | CAF | H10 | 58.9° | 60.0° |
| CAC | CAD | CAE | CAF | 61.4° | 60.0° |
| CAD | CAC | CAB | H3 | 120.1° | 120.0° |
| CAD | CAC | CAB | H4 | 120.1° | 120.1° |
| CAD | CAC | CAB | CAA | 61.0° | 60.0° |
| CAD | CAC | CAB | H1 | 59.0° | 60.1° |
| CAD | CAC | CAB | H2 | 179.0° | 180.0° |
| CAD | CAC | H3 | H4 | 119.8° | 120.0° |
| CAC | CAD | H5 | H6 | 120.5° | 120.0° |
| CAC | CAD | CAE | H7 | 58.5° | 60.0° |
| CAC | CAD | CAE | H8 | 178.8° | 179.9° |
| CAE | CAF | CAA | H9 | 120.0° | 120.0° |
| CAE | CAF | CAA | H10 | 120.0° | 120.0° |
| CAE | CAF | CAA | CAB | 60.4° | 60.0° |
| CAE | CAF | CAA | CAG | 179.6° | 180.0° |
| CAF | CAE | CAD | H5 | 58.5° | 180.0° |
| CAF | CAE | CAD | H6 | 178.8° | 60.0° |
| CAF | CAE | H7 | H8 | 120.5° | 120.0° |
| CAE | CAF | H9 | H10 | 120.0° | 120.0° |
| CAE | CAF | CAA | H11 | 59.6° | 60.0° |
| CAC | CAB | CAA | CAF | 59.7° | 60.0° |
| CAC | CAB | CAA | H1 | 120.0° | 119.9° |
| CAC | CAB | CAA | H2 | 120.0° | 120.0° |
| CAC | CAB | CAA | CAG | 179.6° | 179.9° |
| CAC | CAB | H1 | H2 | 120.0° | 119.9° |
| CAB | CAC | H3 | H4 | 119.8° | 120.0° |
| CAB | CAC | CAD | H5 | 58.2° | 180.0° |
| CAB | CAC | CAD | H6 | 178.6° | 60.0° |
| CAC | CAB | CAA | H11 | 59.9° | 60.0° |
| CAF | CAA | CAB | CAG | 120.8° | 120.0° |
| CAF | CAA | CAB | H11 | 119.6° | 120.0° |
| CAF | CAA | CAG | H11 | 120.0° | 120.0° |
| CAF | CAA | CAG | OAJ | 102.5° | 95.0° |
| CAF | CAA | CAG | CAH | 78.2° | 85.0° |
| CAF | CAA | CAB | H1 | 60.4° | 60.0° |
| CAF | CAA | CAB | H2 | 179.6° | 180.0° |
| CAA | CAF | CAE | H7 | 58.7° | 60.0° |
| CAA | CAF | CAE | H8 | 179.1° | 180.0° |
| CAA | CAF | H9 | H10 | 120.0° | 120.0° |
| CAB | CAA | CAG | H11 | 119.9° | 120.0° |
| CAB | CAA | CAG | OAJ | 17.6° | 24.9° |
| CAB | CAA | CAG | CAH | 161.7° | 155.0° |
| CAA | CAB | H1 | H2 | 120.0° | 120.1° |
| CAA | CAB | CAC | H3 | 179.0° | 60.0° |
| CAA | CAB | CAC | H4 | 59.1° | 180.0° |
| CAB | CAA | CAF | H9 | 179.6° | 180.0° |
| CAB | CAA | CAF | H10 | 59.6° | 60.0° |
| CAA | CAG | OAJ | CAH | 179.3° | 180.0° |
| CAA | CAG | CAH | CAI | 174.4° | 179.9° |
| CAG | CAA | CAB | H1 | 60.4° | 60.0° |
| CAG | CAA | CAB | H2 | 59.6° | 60.0° |
| CAG | CAA | CAF | H9 | 59.6° | 60.0° |
| CAG | CAA | CAF | H10 | 60.4° | 60.0° |
| CAA | CAG | CAH | H12 | 65.2° | 60.0° |
| CAA | CAG | CAH | H13 | 54.0° | 60.0° |
| OAJ | CAG | CAH | CAI | 6.3° | 0.0° |
| OAJ | CAG | CAA | H11 | 137.6° | 145.0° |
| OAJ | CAG | CAH | H12 | 114.1° | 120.0° |
| OAJ | CAG | CAH | H13 | 126.7° | 120.1° |
| CAG | CAH | CAI | H12 | 120.4° | 120.0° |
| CAG | CAH | CAI | H13 | 120.4° | 120.0° |
| CAG | CAH | CAI | NAK | 60.2° | 66.5° |
| CAG | CAH | CAI | CAN | 178.8° | 176.5° |
| CAH | CAG | CAA | H11 | 41.8° | 35.0° |
| CAG | CAH | H12 | H13 | 118.9° | 120.0° |
| CAG | CAH | CAI | H14 | 59.9° | 55.0° |
| CAH | CAI | NAK | CAO | 46.2° | 60.7° |
| CAH | CAI | NAK | CAN | 124.9° | 119.2° |
| CAH | CAI | NAK | H14 | 119.5° | 121.4° |
| CAH | CAI | CAN | H14 | 117.8° | 121.4° |
| CAH | CAI | NAK | CAL | 123.9° | 119.2° |
| CAH | CAI | CAN | CAU | 52.8° | 60.8° |
| CAH | CAI | CAN | CAM | 128.4° | 119.3° |
| CAI | CAH | H12 | H13 | 118.9° | 120.1° |
| NAK | CAO | NAP | H18 | 180.0° | 180.0° |
| CAO | NAK | CAI | CAL | 170.1° | 180.0° |
| CAO | NAK | CAI | CAN | 171.1° | 179.9° |
| NAK | CAO | NAP | CAQ | 2.7° | 0.0° |
| CAO | NAK | CAL | CAQ | 5.4° | 0.0° |
| CAO | NAK | CAL | CAM | 177.0° | 180.0° |
| CAO | NAK | CAI | H14 | 73.3° | 60.7° |
| NAP | CAO | NAK | CAI | 174.9° | 180.0° |
| NAP | CAO | NAK | CAL | 4.9° | 0.0° |
| CAO | NAP | CAQ | CAL | 0.6° | 0.1° |
| CAO | NAP | CAQ | H19 | 179.4° | 180.0° |
| NAK | CAI | CAN | H14 | 115.1° | 119.3° |
| NAK | CAI | CAN | CAU | 179.9° | 179.9° |
| NAK | CAI | CAN | CAM | 1.3° | 0.0° |
| CAI | NAK | CAL | CAQ | 179.5° | 180.0° |
| CAI | NAK | CAL | CAM | 2.9° | 0.0° |
| NAK | CAI | CAH | H12 | 179.5° | 173.6° |
| NAK | CAI | CAH | H13 | 60.2° | 53.6° |
| CAI | NAK | CAO | H18 | 5.1° | 0.0° |
| CAN | CAI | NAK | CAL | 1.0° | 0.0° |
| CAI | CAN | CAU | FAV | 0.1° | 0.1° |
| CAI | CAN | CAU | CAM | 178.7° | 179.9° |
| CAI | CAN | CAU | CAT | 179.8° | 179.9° |
| CAI | CAN | CAM | CAL | 3.1° | 0.0° |
| CAI | CAN | CAM | CAR | 178.1° | 179.9° |
| CAN | CAI | CAH | H12 | 58.4° | 56.5° |
| CAN | CAI | CAH | H13 | 60.8° | 63.5° |
| NAK | CAL | CAQ | NAP | 3.7° | 0.1° |
| NAK | CAL | CAM | CAN | 3.9° | 0.0° |
| NAK | CAL | CAQ | CAM | 176.4° | 180.0° |
| NAK | CAL | CAM | CAR | 178.2° | 179.9° |
| CAL | NAK | CAI | H14 | 116.6° | 119.3° |
| CAL | NAK | CAO | H18 | 175.1° | 180.0° |
| NAK | CAL | CAQ | H19 | 176.3° | 180.0° |
| FAV | CAU | CAN | CAT | 179.8° | 180.0° |
| FAV | CAU | CAN | CAM | 178.7° | 180.0° |
| FAV | CAU | CAT | CAS | 179.5° | 180.0° |
| FAV | CAU | CAT | H15 | 0.5° | 0.0° |
| NAP | CAQ | CAL | H19 | 180.0° | 179.9° |
| NAP | CAQ | CAL | CAM | 180.0° | 180.0° |
| CAQ | NAP | CAO | H18 | 177.3° | 179.9° |
| CAU | CAN | CAM | CAL | 178.0° | 180.0° |
| CAU | CAN | CAM | CAR | 3.0° | 0.0° |
| CAN | CAU | CAT | CAS | 0.3° | 0.1° |
| CAU | CAN | CAI | H14 | 65.0° | 60.6° |
| CAN | CAU | CAT | H15 | 179.7° | 180.0° |
| CAM | CAN | CAU | CAT | 1.5° | 0.0° |
| CAN | CAM | CAL | CAQ | 179.8° | 180.0° |
| CAN | CAM | CAL | CAR | 174.4° | 180.0° |
| CAN | CAM | CAR | CAS | 2.6° | 0.0° |
| CAM | CAN | CAI | H14 | 113.8° | 119.3° |
| CAN | CAM | CAR | H17 | 177.4° | 179.9° |
| CAU | CAT | CAS | H15 | 180.0° | 180.0° |
| CAU | CAT | CAS | CAR | 0.6° | 0.0° |
| CAU | CAT | CAS | H16 | 179.4° | 180.0° |
| CAQ | CAL | CAM | CAR | 5.4° | 0.0° |
| CAL | CAM | CAR | CAS | 176.4° | 180.0° |
| CAL | CAM | CAR | H17 | 3.6° | 0.0° |
| CAM | CAL | CAQ | H19 | 0.1° | 0.0° |
| CAM | CAR | CAS | CAT | 0.8° | 0.0° |
| CAM | CAR | CAS | H17 | 180.0° | 180.0° |
| CAM | CAR | CAS | H16 | 179.2° | 180.0° |
| CAT | CAS | CAR | H16 | 180.0° | 180.0° |
| CAT | CAS | CAR | H17 | 179.2° | 180.0° |
| CAR | CAS | CAT | H15 | 179.3° | 180.0° |
| H1 | CAB | CAC | H3 | 61.1° | 180.0° |
| H1 | CAB | CAC | H4 | 179.1° | 60.0° |
| H1 | CAB | CAA | H11 | 180.0° | 180.0° |
| H2 | CAB | CAC | H3 | 58.9° | 60.0° |
| H2 | CAB | CAC | H4 | 60.9° | 59.9° |
| H2 | CAB | CAA | H11 | 60.0° | 60.0° |
| H3 | CAC | CAD | H5 | 61.9° | 60.0° |
| H3 | CAC | CAD | H6 | 58.5° | 180.0° |
| H4 | CAC | CAD | H5 | 178.3° | 59.9° |
| H4 | CAC | CAD | H6 | 61.4° | 60.0° |
| H5 | CAD | CAE | H7 | 178.3° | 60.0° |
| H5 | CAD | CAE | H8 | 61.3° | 60.0° |
| H6 | CAD | CAE | H7 | 61.3° | 180.0° |
| H6 | CAD | CAE | H8 | 59.0° | 60.0° |
| H7 | CAE | CAF | H9 | 61.3° | 59.9° |
| H7 | CAE | CAF | H10 | 178.7° | 180.0° |
| H8 | CAE | CAF | H9 | 59.1° | 60.1° |
| H8 | CAE | CAF | H10 | 61.0° | 60.0° |
| H9 | CAF | CAA | H11 | 60.4° | 60.0° |
| H10 | CAF | CAA | H11 | 179.6° | NaN° |
| H12 | CAH | CAI | H14 | 60.5° | 65.0° |
| H13 | CAH | CAI | H14 | 179.7° | 175.0° |
| H15 | CAT | CAS | H16 | 0.6° | 0.0° |
| H16 | CAS | CAR | H17 | 0.8° | 0.0° |
