4L2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAL | sing | 1.53Å | 1.53Å | |
| CAJ | CAI | sing | 1.53Å | 1.56Å | |
| CAL | NAS | sing | 1.46Å | 1.51Å | |
| CAI | CAK | sing | 1.53Å | 1.56Å | |
| NAS | CAO | sing | 1.40Å | 1.38Å | |
| NAS | CAM | sing | 1.33Å | 1.37Å | |
| CAK | CAM | sing | 1.50Å | 1.44Å | |
| CAE | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.36Å | 1.41Å | Aromatic |
| CAO | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | OAC | doub | 1.21Å | 1.23Å | |
| CAF | CAQ | doub | 1.40Å | 1.42Å | Aromatic |
| CAH | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.41Å | 1.42Å | Aromatic |
| CAQ | CAN | sing | 1.46Å | 1.41Å | |
| CAR | NAT | sing | 1.38Å | 1.37Å | |
| CAN | CAA | sing | 1.51Å | 1.44Å | |
| CAN | CAG | doub | 1.36Å | 1.38Å | |
| NAT | CAB | sing | 1.47Å | 1.51Å | |
| NAT | CAP | sing | 1.34Å | 1.35Å | |
| CAG | CAP | sing | 1.41Å | 1.41Å | |
| CAP | OAD | doub | 1.22Å | 1.21Å | |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CAB | H12 | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| CAE | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAJ | CAI | 108.3° | 108.7° |
| CAJ | CAL | NAS | 113.5° | 110.6° |
| CAL | CAJ | H5 | 109.8° | 109.6° |
| CAL | CAJ | H6 | 109.8° | 109.6° |
| CAJ | CAL | H7 | 108.5° | 109.3° |
| CAJ | CAL | H8 | 108.5° | 109.3° |
| CAJ | CAI | CAK | 102.6° | 108.4° |
| CAJ | CAI | H3 | 111.2° | 109.7° |
| CAJ | CAI | H4 | 111.2° | 109.6° |
| CAI | CAJ | H5 | 109.8° | 109.4° |
| CAI | CAJ | H6 | 109.8° | 109.8° |
| CAL | NAS | CAO | 112.0° | 118.0° |
| CAL | NAS | CAM | 121.6° | 124.1° |
| NAS | CAL | H7 | 108.5° | 109.5° |
| NAS | CAL | H8 | 108.4° | 109.1° |
| CAI | CAK | CAM | 111.6° | 109.9° |
| CAI | CAK | H1 | 108.9° | 109.4° |
| CAI | CAK | H2 | 108.9° | 109.4° |
| CAK | CAI | H3 | 111.1° | 109.7° |
| CAK | CAI | H4 | 111.2° | 109.7° |
| CAO | NAS | CAM | 126.3° | 117.9° |
| NAS | CAO | CAE | 124.8° | 119.7° |
| NAS | CAO | CAH | 116.9° | 119.7° |
| NAS | CAM | CAK | 121.5° | 123.5° |
| NAS | CAM | OAC | 120.1° | 118.2° |
| CAK | CAM | OAC | 118.4° | 118.3° |
| CAM | CAK | H1 | 108.9° | 109.4° |
| CAM | CAK | H2 | 108.9° | 109.3° |
| CAO | CAE | CAF | 119.4° | 120.5° |
| CAE | CAO | CAH | 118.2° | 120.6° |
| CAO | CAE | H18 | 120.3° | 119.8° |
| CAE | CAF | CAQ | 121.5° | 119.8° |
| CAE | CAF | H17 | 119.3° | 120.1° |
| CAF | CAE | H18 | 120.3° | 119.7° |
| CAO | CAH | CAR | 124.2° | 119.7° |
| CAO | CAH | H9 | 117.9° | 120.2° |
| CAF | CAQ | CAR | 119.5° | 120.0° |
| CAF | CAQ | CAN | 121.3° | 121.1° |
| CAQ | CAF | H17 | 119.2° | 120.1° |
| CAH | CAR | CAQ | 117.2° | 119.5° |
| CAH | CAR | NAT | 120.5° | 120.9° |
| CAR | CAH | H9 | 117.9° | 120.1° |
| CAR | CAQ | CAN | 119.2° | 119.0° |
| CAQ | CAR | NAT | 122.3° | 119.6° |
| CAQ | CAN | CAA | 121.6° | 120.7° |
| CAQ | CAN | CAG | 117.0° | 118.5° |
| CAR | NAT | CAB | 124.7° | 119.5° |
| CAR | NAT | CAP | 118.5° | 120.9° |
| CAA | CAN | CAG | 121.4° | 120.7° |
| CAN | CAA | H14 | 109.5° | 109.5° |
| CAN | CAA | H15 | 109.4° | 109.5° |
| CAN | CAA | H16 | 109.4° | 109.5° |
| CAN | CAG | CAP | 121.9° | 120.3° |
| CAN | CAG | H13 | 119.1° | 119.9° |
| CAB | NAT | CAP | 116.7° | 119.5° |
| NAT | CAB | H10 | 109.5° | 109.4° |
| NAT | CAB | H11 | 109.4° | 109.5° |
| NAT | CAB | H12 | 109.5° | 109.5° |
| NAT | CAP | CAG | 121.1° | 121.7° |
| NAT | CAP | OAD | 118.3° | 119.2° |
| CAG | CAP | OAD | 120.5° | 119.1° |
| CAP | CAG | H13 | 119.1° | 119.9° |
| H1 | CAK | H2 | 109.5° | 109.4° |
| H3 | CAI | H4 | 109.4° | 109.6° |
| H5 | CAJ | H6 | 109.5° | 109.7° |
| H7 | CAL | H8 | 109.5° | 109.1° |
| H10 | CAB | H11 | 109.5° | 109.5° |
| H10 | CAB | H12 | 109.4° | 109.4° |
| H11 | CAB | H12 | 109.5° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H14 | CAA | H16 | 109.5° | 109.4° |
| H15 | CAA | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAJ | CAI | H5 | 119.8° | 119.6° |
| CAL | CAJ | CAI | H6 | 119.8° | 119.9° |
| CAJ | CAL | NAS | H7 | 120.6° | 120.5° |
| CAJ | CAL | NAS | H8 | 120.6° | 120.2° |
| CAL | CAJ | CAI | CAK | 68.6° | 67.5° |
| CAJ | CAL | NAS | CAO | 176.5° | 161.0° |
| CAJ | CAL | NAS | CAM | 7.7° | 18.6° |
| CAL | CAJ | CAI | H3 | 172.5° | 172.7° |
| CAL | CAJ | CAI | H4 | 50.3° | 52.3° |
| CAL | CAJ | H5 | H6 | 120.5° | 120.4° |
| CAJ | CAL | H7 | H8 | 118.2° | 119.4° |
| CAI | CAJ | CAL | NAS | 42.8° | 50.5° |
| CAJ | CAI | CAK | H3 | 118.9° | 119.8° |
| CAJ | CAI | CAK | H4 | 118.9° | 119.8° |
| CAJ | CAI | CAK | CAM | 62.8° | 48.9° |
| CAJ | CAI | CAK | H1 | 57.5° | 71.2° |
| CAJ | CAI | CAK | H2 | 176.9° | 168.9° |
| CAJ | CAI | H3 | H4 | 123.2° | 120.4° |
| CAI | CAJ | H5 | H6 | 120.5° | 120.5° |
| CAI | CAJ | CAL | H7 | 77.8° | 171.1° |
| CAI | CAJ | CAL | H8 | 163.4° | 69.6° |
| CAL | NAS | CAO | CAM | 175.5° | 179.6° |
| CAL | NAS | CAM | CAK | 1.1° | 1.7° |
| CAL | NAS | CAO | CAE | 103.4° | 89.4° |
| CAL | NAS | CAO | CAH | 73.5° | 90.3° |
| CAL | NAS | CAM | OAC | 179.7° | 178.1° |
| NAS | CAL | CAJ | H5 | 77.1° | 69.0° |
| NAS | CAL | CAJ | H6 | 162.6° | 170.6° |
| NAS | CAL | H7 | H8 | 118.2° | 119.3° |
| CAI | CAK | CAM | NAS | 30.5° | 17.4° |
| CAI | CAK | CAM | H1 | 120.3° | 120.2° |
| CAI | CAK | CAM | H2 | 120.3° | 120.1° |
| CAI | CAK | CAM | OAC | 150.2° | 162.4° |
| CAI | CAK | H1 | H2 | 119.0° | 119.8° |
| CAK | CAI | H3 | H4 | 123.2° | 120.6° |
| CAK | CAI | CAJ | H5 | 51.3° | 52.1° |
| CAK | CAI | CAJ | H6 | 171.6° | 172.6° |
| CAO | NAS | CAM | CAK | 176.2° | 177.9° |
| NAS | CAO | CAE | CAH | 176.8° | 179.7° |
| NAS | CAO | CAE | CAF | 178.4° | 179.7° |
| CAO | NAS | CAM | OAC | 4.5° | 2.3° |
| NAS | CAO | CAH | CAR | 178.2° | 179.9° |
| CAO | NAS | CAL | H7 | 62.9° | 40.5° |
| CAO | NAS | CAL | H8 | 55.9° | 78.8° |
| NAS | CAO | CAH | H9 | 1.8° | 0.0° |
| NAS | CAO | CAE | H18 | 1.6° | 0.0° |
| NAS | CAM | CAK | OAC | 179.3° | 179.8° |
| CAM | NAS | CAO | CAE | 81.1° | 91.0° |
| CAM | NAS | CAO | CAH | 102.1° | 89.3° |
| NAS | CAM | CAK | H1 | 89.9° | 102.8° |
| NAS | CAM | CAK | H2 | 150.8° | 137.4° |
| CAM | NAS | CAL | H7 | 112.9° | 139.1° |
| CAM | NAS | CAL | H8 | 128.3° | 101.6° |
| CAM | CAK | H1 | H2 | 119.0° | 119.7° |
| CAM | CAK | CAI | H3 | 178.3° | 168.7° |
| CAM | CAK | CAI | H4 | 56.1° | 70.8° |
| CAO | CAE | CAF | H18 | 180.0° | 179.7° |
| CAO | CAE | CAF | CAQ | 1.1° | 0.6° |
| CAE | CAO | CAH | CAR | 1.2° | 0.2° |
| CAE | CAO | CAH | H9 | 178.8° | 179.7° |
| CAO | CAE | CAF | H17 | 178.9° | 179.8° |
| CAF | CAE | CAO | CAH | 1.6° | 0.6° |
| CAE | CAF | CAQ | H17 | 180.0° | 179.6° |
| CAE | CAF | CAQ | CAR | 0.1° | 0.3° |
| CAE | CAF | CAQ | CAN | 177.9° | 179.7° |
| CAO | CAH | CAR | H9 | 180.0° | 179.9° |
| CAO | CAH | CAR | CAQ | 0.1° | 0.1° |
| CAO | CAH | CAR | NAT | 179.7° | 180.0° |
| CAH | CAO | CAE | H18 | 178.4° | 179.7° |
| OAC | CAM | CAK | H1 | 89.4° | 77.4° |
| OAC | CAM | CAK | H2 | 29.9° | 42.4° |
| CAF | CAQ | CAR | CAH | 0.6° | 0.1° |
| CAF | CAQ | CAR | CAN | 177.9° | 180.0° |
| CAF | CAQ | CAR | NAT | 179.7° | 180.0° |
| CAF | CAQ | CAN | CAA | 2.5° | 0.1° |
| CAF | CAQ | CAN | CAG | 178.8° | 180.0° |
| CAQ | CAF | CAE | H18 | 178.9° | 179.7° |
| CAH | CAR | CAQ | NAT | 179.8° | 179.9° |
| CAH | CAR | CAQ | CAN | 178.5° | 179.9° |
| CAH | CAR | NAT | CAB | 1.9° | 0.1° |
| CAH | CAR | NAT | CAP | 178.9° | 179.9° |
| CAR | CAQ | CAN | CAA | 179.6° | 180.0° |
| CAR | CAQ | CAN | CAG | 0.9° | 0.0° |
| CAQ | CAR | NAT | CAB | 177.9° | 180.0° |
| CAQ | CAR | NAT | CAP | 1.3° | 0.1° |
| CAQ | CAR | CAH | H9 | 179.9° | 180.0° |
| CAR | CAQ | CAF | H17 | 180.0° | 179.9° |
| CAN | CAQ | CAR | NAT | 1.7° | 0.0° |
| CAQ | CAN | CAA | CAG | 178.6° | 180.0° |
| CAQ | CAN | CAG | CAP | 0.2° | 0.0° |
| CAQ | CAN | CAG | H13 | 179.8° | 180.0° |
| CAQ | CAN | CAA | H14 | 180.0° | 180.0° |
| CAQ | CAN | CAA | H15 | 60.0° | 59.9° |
| CAQ | CAN | CAA | H16 | 60.0° | 60.0° |
| CAN | CAQ | CAF | H17 | 2.1° | 0.1° |
| CAR | NAT | CAB | CAP | 179.2° | 180.0° |
| CAR | NAT | CAP | CAG | 0.1° | 0.0° |
| CAR | NAT | CAP | OAD | 178.7° | 180.0° |
| NAT | CAR | CAH | H9 | 0.3° | 0.1° |
| CAR | NAT | CAB | H10 | 180.0° | 90.0° |
| CAR | NAT | CAB | H11 | 60.0° | 150.0° |
| CAR | NAT | CAB | H12 | 60.0° | 29.9° |
| CAA | CAN | CAG | CAP | 178.5° | 180.0° |
| CAA | CAN | CAG | H13 | 1.5° | 0.0° |
| CAN | CAA | H14 | H15 | 120.0° | 120.1° |
| CAN | CAA | H14 | H16 | 120.0° | 120.0° |
| CAN | CAA | H15 | H16 | 120.0° | 120.0° |
| CAN | CAG | CAP | NAT | 0.6° | 0.0° |
| CAN | CAG | CAP | H13 | 180.0° | 180.0° |
| CAN | CAG | CAP | OAD | 179.4° | 180.0° |
| CAG | CAN | CAA | H14 | 1.4° | 0.0° |
| CAG | CAN | CAA | H15 | 121.3° | 120.0° |
| CAG | CAN | CAA | H16 | 118.6° | 120.0° |
| CAB | NAT | CAP | CAG | 179.2° | 180.0° |
| CAB | NAT | CAP | OAD | 2.0° | 0.0° |
| NAT | CAB | H10 | H11 | 120.0° | 120.0° |
| NAT | CAB | H10 | H12 | 120.0° | 119.9° |
| NAT | CAB | H11 | H12 | 120.0° | 120.0° |
| NAT | CAP | CAG | OAD | 178.8° | 180.0° |
| CAP | NAT | CAB | H10 | 0.8° | 90.0° |
| CAP | NAT | CAB | H11 | 119.2° | 30.0° |
| CAP | NAT | CAB | H12 | 120.8° | 150.1° |
| NAT | CAP | CAG | H13 | 179.4° | 180.0° |
| OAD | CAP | CAG | H13 | 0.6° | 0.0° |
| H1 | CAK | CAI | H3 | 61.4° | 48.5° |
| H1 | CAK | CAI | H4 | 176.4° | 169.0° |
| H2 | CAK | CAI | H3 | 58.0° | 71.3° |
| H2 | CAK | CAI | H4 | 64.2° | 49.2° |
| H3 | CAI | CAJ | H5 | 67.6° | 67.6° |
| H3 | CAI | CAJ | H6 | 52.7° | 52.8° |
| H4 | CAI | CAJ | H5 | 170.2° | 171.9° |
| H4 | CAI | CAJ | H6 | 69.5° | 67.6° |
| H5 | CAJ | CAL | H7 | 162.3° | 51.6° |
| H5 | CAJ | CAL | H8 | 43.5° | 170.9° |
| H6 | CAJ | CAL | H7 | 42.0° | 68.9° |
| H6 | CAJ | CAL | H8 | 76.8° | 50.4° |
| H10 | CAB | H11 | H12 | 120.0° | 120.0° |
| H14 | CAA | H15 | H16 | 120.0° | 119.9° |
| H17 | CAF | CAE | H18 | 1.1° | 0.1° |
