7L3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAX | CAU | sing | 1.53Å | 1.51Å | |
| CAJ | NAC | sing | 1.46Å | 1.43Å | |
| CAQ | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.41Å | Aromatic |
| CAP | CAN | sing | 1.38Å | 1.42Å | Aromatic |
| CAU | CAW | sing | 1.53Å | 1.56Å | |
| CAU | CAR | sing | 1.51Å | 1.56Å | |
| CAU | CAV | sing | 1.53Å | 1.54Å | |
| CAR | CAS | doub | 1.38Å | 1.42Å | Aromatic |
| OAM | SAL | doub | 1.42Å | 1.50Å | |
| NAK | SAL | sing | 1.66Å | 1.64Å | |
| NAK | CAB | doub | 1.31Å | 1.44Å | |
| CAN | SAL | sing | 1.76Å | 1.83Å | |
| CAN | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| SAL | OAO | doub | 1.42Å | 1.51Å | |
| NAC | CAB | sing | 1.37Å | 1.34Å | |
| NAC | NAD | sing | 1.38Å | 1.37Å | |
| CAB | SAA | sing | 1.77Å | 1.75Å | |
| NAD | CAE | doub | 1.29Å | 1.37Å | |
| SAA | CAE | sing | 1.77Å | 1.71Å | |
| CAE | SAF | sing | 1.76Å | 1.76Å | |
| SAF | OAH | doub | 1.42Å | 1.49Å | |
| SAF | NAI | sing | 1.66Å | 1.68Å | |
| SAF | OAG | doub | 1.42Å | 1.53Å | |
| CAV | H1 | sing | 1.09Å | 1.10Å | |
| CAV | H2 | sing | 1.09Å | 1.10Å | |
| CAV | H3 | sing | 1.09Å | 1.10Å | |
| CAW | H4 | sing | 1.09Å | 1.10Å | |
| CAW | H5 | sing | 1.09Å | 1.10Å | |
| CAW | H6 | sing | 1.09Å | 1.10Å | |
| CAX | H7 | sing | 1.09Å | 1.10Å | |
| CAX | H8 | sing | 1.09Å | 1.10Å | |
| CAX | H9 | sing | 1.09Å | 1.10Å | |
| CAS | H10 | sing | 1.08Å | 1.08Å | |
| CAT | H11 | sing | 1.08Å | 1.08Å | |
| CAQ | H12 | sing | 1.08Å | 1.08Å | |
| CAP | H13 | sing | 1.08Å | 1.08Å | |
| NAI | H15 | sing | 0.97Å | 1.00Å | |
| NAI | H16 | sing | 0.97Å | 1.00Å | |
| CAJ | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAU | CAW | 109.4° | 109.5° |
| CAX | CAU | CAR | 109.1° | 109.5° |
| CAX | CAU | CAV | 109.8° | 109.5° |
| CAU | CAX | H7 | 109.5° | 109.5° |
| CAU | CAX | H8 | 109.5° | 109.5° |
| CAU | CAX | H9 | 109.5° | 109.4° |
| CAJ | NAC | CAB | 122.5° | 121.9° |
| CAJ | NAC | NAD | 122.3° | 122.0° |
| NAC | CAJ | H17 | 109.5° | 109.5° |
| NAC | CAJ | H18 | 109.5° | 109.5° |
| NAC | CAJ | H19 | 109.5° | 109.5° |
| CAP | CAQ | CAR | 119.9° | 120.0° |
| CAQ | CAP | CAN | 119.8° | 120.0° |
| CAP | CAQ | H12 | 120.0° | 120.0° |
| CAQ | CAP | H13 | 120.1° | 120.0° |
| CAQ | CAR | CAU | 120.0° | 120.0° |
| CAQ | CAR | CAS | 119.9° | 120.0° |
| CAR | CAQ | H12 | 120.0° | 120.0° |
| CAP | CAN | SAL | 120.3° | 120.0° |
| CAP | CAN | CAT | 120.1° | 120.0° |
| CAN | CAP | H13 | 120.1° | 120.0° |
| CAW | CAU | CAR | 109.8° | 109.5° |
| CAW | CAU | CAV | 109.3° | 109.4° |
| CAU | CAW | H4 | 109.5° | 109.5° |
| CAU | CAW | H5 | 109.5° | 109.5° |
| CAU | CAW | H6 | 109.5° | 109.4° |
| CAR | CAU | CAV | 109.4° | 109.5° |
| CAU | CAR | CAS | 120.1° | 120.0° |
| CAU | CAV | H1 | 109.5° | 109.5° |
| CAU | CAV | H2 | 109.5° | 109.5° |
| CAU | CAV | H3 | 109.5° | 109.5° |
| CAR | CAS | CAT | 120.0° | 120.0° |
| CAR | CAS | H10 | 120.0° | 120.0° |
| OAM | SAL | NAK | 109.2° | 106.4° |
| OAM | SAL | CAN | 109.4° | 106.4° |
| OAM | SAL | OAO | 109.6° | 123.1° |
| SAL | NAK | CAB | 119.9° | 120.0° |
| NAK | SAL | CAN | 109.7° | 107.2° |
| NAK | SAL | OAO | 109.6° | 106.4° |
| NAK | CAB | NAC | 127.3° | 127.8° |
| NAK | CAB | SAA | 127.4° | 127.8° |
| SAL | CAN | CAT | 119.7° | 120.0° |
| CAN | SAL | OAO | 109.4° | 106.4° |
| CAN | CAT | CAS | 120.2° | 120.0° |
| CAN | CAT | H11 | 119.9° | 120.0° |
| CAT | CAS | H10 | 120.0° | 120.0° |
| CAS | CAT | H11 | 119.9° | 120.0° |
| CAB | NAC | NAD | 115.3° | 116.1° |
| NAC | CAB | SAA | 105.3° | 104.4° |
| NAC | NAD | CAE | 118.6° | 118.9° |
| CAB | SAA | CAE | 97.3° | 94.4° |
| NAD | CAE | SAA | 103.6° | 106.1° |
| NAD | CAE | SAF | 128.0° | 127.0° |
| SAA | CAE | SAF | 128.4° | 126.9° |
| CAE | SAF | OAH | 109.5° | 106.4° |
| CAE | SAF | NAI | 109.5° | 107.2° |
| CAE | SAF | OAG | 109.6° | 106.4° |
| OAH | SAF | NAI | 109.4° | 106.5° |
| OAH | SAF | OAG | 109.4° | 123.1° |
| NAI | SAF | OAG | 109.5° | 106.4° |
| SAF | NAI | H15 | 109.5° | 120.0° |
| SAF | NAI | H16 | 109.5° | 120.0° |
| H1 | CAV | H2 | 109.5° | 109.5° |
| H1 | CAV | H3 | 109.5° | 109.5° |
| H2 | CAV | H3 | 109.5° | 109.5° |
| H4 | CAW | H5 | 109.5° | 109.5° |
| H4 | CAW | H6 | 109.4° | 109.5° |
| H5 | CAW | H6 | 109.5° | 109.5° |
| H7 | CAX | H8 | 109.5° | 109.4° |
| H7 | CAX | H9 | 109.5° | 109.5° |
| H8 | CAX | H9 | 109.4° | 109.5° |
| H15 | NAI | H16 | 109.4° | 120.0° |
| H17 | CAJ | H18 | 109.5° | 109.5° |
| H17 | CAJ | H19 | 109.5° | 109.4° |
| H18 | CAJ | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAU | CAR | CAQ | 36.2° | 119.7° |
| CAX | CAU | CAW | CAR | 119.7° | 120.0° |
| CAX | CAU | CAW | CAV | 120.3° | 120.0° |
| CAX | CAU | CAR | CAV | 120.1° | 120.0° |
| CAX | CAU | CAR | CAS | 143.8° | 60.0° |
| CAX | CAU | CAV | H1 | 180.0° | 180.0° |
| CAX | CAU | CAV | H2 | 60.0° | 60.0° |
| CAX | CAU | CAV | H3 | 60.0° | 60.0° |
| CAX | CAU | CAW | H4 | 180.0° | 180.0° |
| CAX | CAU | CAW | H5 | 60.0° | 60.0° |
| CAX | CAU | CAW | H6 | 60.0° | 60.0° |
| CAU | CAX | H7 | H8 | 120.0° | 120.0° |
| CAU | CAX | H7 | H9 | 120.0° | 120.0° |
| CAU | CAX | H8 | H9 | 120.0° | 120.0° |
| CAJ | NAC | CAB | NAK | 0.0° | 0.0° |
| CAJ | NAC | CAB | NAD | 180.0° | 179.8° |
| CAJ | NAC | CAB | SAA | 180.0° | 179.7° |
| CAJ | NAC | NAD | CAE | 180.0° | 179.7° |
| NAC | CAJ | H17 | H18 | 120.0° | 120.0° |
| NAC | CAJ | H17 | H19 | 120.0° | 120.0° |
| NAC | CAJ | H18 | H19 | 120.0° | 120.0° |
| CAP | CAQ | CAR | H12 | 180.0° | 179.8° |
| CAQ | CAP | CAN | H13 | 180.0° | 179.9° |
| CAP | CAQ | CAR | CAU | 180.0° | 179.9° |
| CAP | CAQ | CAR | CAS | 0.0° | 0.2° |
| CAQ | CAP | CAN | SAL | 180.0° | 180.0° |
| CAQ | CAP | CAN | CAT | 0.0° | 0.4° |
| CAR | CAQ | CAP | CAN | 0.0° | 0.1° |
| CAQ | CAR | CAU | CAW | 156.1° | 120.2° |
| CAQ | CAR | CAU | CAS | 180.0° | 179.8° |
| CAQ | CAR | CAU | CAV | 83.9° | 0.2° |
| CAQ | CAR | CAS | CAT | 0.0° | 0.2° |
| CAQ | CAR | CAS | H10 | 180.0° | 179.7° |
| CAR | CAQ | CAP | H13 | 180.0° | 180.0° |
| CAP | CAN | SAL | OAM | 115.2° | 156.4° |
| CAP | CAN | SAL | NAK | 4.5° | 90.0° |
| CAP | CAN | SAL | CAT | 179.9° | 179.7° |
| CAP | CAN | CAT | CAS | 0.0° | 0.3° |
| CAP | CAN | SAL | OAO | 124.8° | 23.5° |
| CAP | CAN | CAT | H11 | 180.0° | 179.7° |
| CAN | CAP | CAQ | H12 | 180.0° | 179.9° |
| CAW | CAU | CAR | CAV | 120.0° | 120.0° |
| CAW | CAU | CAR | CAS | 23.9° | 60.0° |
| CAW | CAU | CAV | H1 | 60.0° | 60.0° |
| CAW | CAU | CAV | H2 | 180.0° | 180.0° |
| CAW | CAU | CAV | H3 | 60.0° | 60.0° |
| CAU | CAW | H4 | H5 | 120.0° | 120.0° |
| CAU | CAW | H4 | H6 | 120.0° | 120.0° |
| CAU | CAW | H5 | H6 | 120.0° | 119.9° |
| CAW | CAU | CAX | H7 | 180.0° | 60.0° |
| CAW | CAU | CAX | H8 | 60.0° | 179.9° |
| CAW | CAU | CAX | H9 | 60.0° | 60.0° |
| CAU | CAR | CAS | CAT | 180.0° | 180.0° |
| CAR | CAU | CAV | H1 | 60.3° | 60.0° |
| CAR | CAU | CAV | H2 | 59.7° | 60.0° |
| CAR | CAU | CAV | H3 | 179.7° | 180.0° |
| CAR | CAU | CAW | H4 | 60.3° | 60.0° |
| CAR | CAU | CAW | H5 | 179.7° | 180.0° |
| CAR | CAU | CAW | H6 | 59.7° | 60.0° |
| CAR | CAU | CAX | H7 | 59.8° | 180.0° |
| CAR | CAU | CAX | H8 | 60.2° | 60.0° |
| CAR | CAU | CAX | H9 | 179.8° | 60.0° |
| CAU | CAR | CAS | H10 | 0.1° | 0.1° |
| CAU | CAR | CAQ | H12 | 0.0° | 0.1° |
| CAV | CAU | CAR | CAS | 96.1° | 180.0° |
| CAU | CAV | H1 | H2 | 120.0° | 120.0° |
| CAU | CAV | H1 | H3 | 120.0° | 120.0° |
| CAU | CAV | H2 | H3 | 120.0° | 120.0° |
| CAV | CAU | CAW | H4 | 59.7° | 60.0° |
| CAV | CAU | CAW | H5 | 60.3° | 60.0° |
| CAV | CAU | CAW | H6 | 179.7° | 180.0° |
| CAV | CAU | CAX | H7 | 60.0° | 60.0° |
| CAV | CAU | CAX | H8 | 179.9° | 60.0° |
| CAV | CAU | CAX | H9 | 60.0° | 180.0° |
| CAR | CAS | CAT | CAN | 0.0° | 0.0° |
| CAR | CAS | CAT | H10 | 180.0° | 179.9° |
| CAR | CAS | CAT | H11 | 180.0° | 180.0° |
| CAS | CAR | CAQ | H12 | 180.0° | 179.7° |
| OAM | SAL | NAK | CAN | 119.9° | 113.5° |
| OAM | SAL | NAK | OAO | 120.0° | 132.9° |
| OAM | SAL | NAK | CAB | 134.9° | 66.5° |
| OAM | SAL | CAN | OAO | 120.0° | 132.9° |
| OAM | SAL | CAN | CAT | 64.7° | 23.2° |
| NAK | SAL | CAN | OAO | 120.2° | 113.5° |
| NAK | SAL | CAN | CAT | 175.5° | 90.3° |
| SAL | NAK | CAB | NAC | 172.9° | 179.7° |
| SAL | NAK | CAB | SAA | 7.1° | 0.0° |
| CAB | NAK | SAL | CAN | 105.2° | 180.0° |
| CAB | NAK | SAL | OAO | 14.9° | 66.5° |
| NAK | CAB | NAC | SAA | 180.0° | 179.7° |
| NAK | CAB | NAC | NAD | 180.0° | 179.9° |
| NAK | CAB | SAA | CAE | 179.9° | 180.0° |
| SAL | CAN | CAT | CAS | 179.9° | 180.0° |
| SAL | CAN | CAT | H11 | 0.1° | 0.1° |
| SAL | CAN | CAP | H13 | 0.0° | 0.1° |
| CAN | CAT | CAS | H11 | 180.0° | 179.9° |
| CAT | CAN | SAL | OAO | 55.3° | 156.1° |
| CAN | CAT | CAS | H10 | 180.0° | 180.0° |
| CAT | CAN | CAP | H13 | 180.0° | 179.8° |
| CAB | NAC | NAD | CAE | 0.1° | 0.5° |
| NAC | CAB | SAA | CAE | 0.0° | 0.2° |
| CAB | NAC | CAJ | H17 | 180.0° | 90.0° |
| CAB | NAC | CAJ | H18 | 60.0° | 150.0° |
| CAB | NAC | CAJ | H19 | 60.0° | 30.0° |
| NAD | NAC | CAB | SAA | 0.0° | 0.4° |
| NAC | NAD | CAE | SAA | 0.1° | 0.2° |
| NAC | NAD | CAE | SAF | 180.0° | 179.7° |
| NAD | NAC | CAJ | H17 | 0.0° | 89.8° |
| NAD | NAC | CAJ | H18 | 120.0° | 30.1° |
| NAD | NAC | CAJ | H19 | 120.0° | 150.2° |
| CAB | SAA | CAE | NAD | 0.0° | 0.0° |
| CAB | SAA | CAE | SAF | 180.0° | 180.0° |
| NAD | CAE | SAA | SAF | 179.9° | 180.0° |
| NAD | CAE | SAF | OAH | 51.4° | 3.6° |
| NAD | CAE | SAF | NAI | 68.5° | 110.0° |
| NAD | CAE | SAF | OAG | 171.4° | 136.5° |
| SAA | CAE | SAF | OAH | 128.6° | 176.4° |
| SAA | CAE | SAF | NAI | 111.4° | 70.0° |
| SAA | CAE | SAF | OAG | 8.7° | 43.5° |
| CAE | SAF | OAH | NAI | 120.0° | 114.1° |
| CAE | SAF | OAH | OAG | 120.1° | 122.9° |
| CAE | SAF | NAI | OAG | 120.1° | 113.5° |
| CAE | SAF | NAI | H15 | 180.0° | 0.1° |
| CAE | SAF | NAI | H16 | 60.0° | 179.9° |
| OAH | SAF | NAI | OAG | 119.8° | 132.9° |
| OAH | SAF | NAI | H15 | 60.0° | 113.5° |
| OAH | SAF | NAI | H16 | 180.0° | 66.4° |
| SAF | NAI | H15 | H16 | 120.0° | 179.9° |
| OAG | SAF | NAI | H15 | 59.9° | 113.6° |
| OAG | SAF | NAI | H16 | 60.1° | 66.5° |
| H1 | CAV | H2 | H3 | 120.0° | 120.0° |
| H4 | CAW | H5 | H6 | 120.0° | 120.0° |
| H7 | CAX | H8 | H9 | 120.0° | 120.0° |
| H10 | CAS | CAT | H11 | 0.0° | 0.1° |
| H12 | CAQ | CAP | H13 | 0.0° | 0.2° |
| H17 | CAJ | H18 | H19 | 120.0° | 120.0° |
