0OU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAO | sing | 1.51Å | 1.53Å | |
| CAU | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAU | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | NAP | sing | 1.47Å | 1.46Å | |
| CL1 | CAS | sing | 1.74Å | 1.71Å | |
| CAI | CAS | sing | 1.38Å | 1.38Å | Aromatic |
| CAS | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CL2 | sing | 1.74Å | 1.73Å | |
| NAP | CAM | sing | 1.47Å | 1.48Å | |
| CAM | CAL | sing | 1.53Å | 1.54Å | |
| CAL | CAN | sing | 1.53Å | 1.53Å | |
| CAN | NAQ | sing | 1.47Å | 1.47Å | |
| NAQ | CAV | sing | 1.37Å | 1.34Å | |
| CAV | CAK | doub | 1.37Å | 1.40Å | |
| CAV | NAR | sing | 1.36Å | 1.40Å | |
| CAK | CAW | sing | 1.40Å | 1.40Å | |
| NAR | CAX | sing | 1.38Å | 1.40Å | |
| CAW | OAA | doub | 1.22Å | 1.23Å | |
| CAW | CAY | sing | 1.47Å | 1.40Å | |
| CAX | CAY | doub | 1.40Å | 1.40Å | Aromatic |
| CAX | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAY | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| NAP | H6 | sing | 1.01Å | 1.00Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| NAQ | H14 | sing | 0.97Å | 1.00Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAG | H17 | sing | 1.08Å | 1.08Å | |
| CAE | H18 | sing | 1.08Å | 1.08Å | |
| CAD | H19 | sing | 1.08Å | 1.08Å | |
| CAF | H20 | sing | 1.08Å | 1.08Å | |
| NAR | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAU | CAI | 118.3° | 120.0° |
| CAO | CAU | CAJ | 121.4° | 120.0° |
| CAU | CAO | NAP | 104.6° | 109.4° |
| CAU | CAO | H4 | 110.7° | 109.5° |
| CAU | CAO | H5 | 110.7° | 109.5° |
| CAI | CAU | CAJ | 120.3° | 120.0° |
| CAU | CAI | CAS | 119.6° | 120.0° |
| CAU | CAI | H1 | 120.2° | 120.0° |
| CAU | CAJ | CAT | 119.0° | 120.0° |
| CAU | CAJ | H3 | 120.5° | 120.0° |
| CAO | NAP | CAM | 106.7° | 111.0° |
| NAP | CAO | H4 | 110.6° | 109.5° |
| NAP | CAO | H5 | 110.7° | 109.5° |
| CAO | NAP | H6 | 110.2° | 111.0° |
| CL1 | CAS | CAI | 120.4° | 120.0° |
| CL1 | CAS | CAH | 118.6° | 120.0° |
| CAI | CAS | CAH | 121.0° | 120.0° |
| CAS | CAI | H1 | 120.2° | 120.0° |
| CAS | CAH | CAT | 119.5° | 120.0° |
| CAS | CAH | H2 | 120.3° | 120.0° |
| CAJ | CAT | CAH | 120.6° | 120.0° |
| CAJ | CAT | CL2 | 122.7° | 120.0° |
| CAT | CAJ | H3 | 120.5° | 120.0° |
| CAH | CAT | CL2 | 116.7° | 120.0° |
| CAT | CAH | H2 | 120.3° | 120.1° |
| NAP | CAM | CAL | 107.6° | 109.5° |
| CAM | NAP | H6 | 110.2° | 111.0° |
| NAP | CAM | H8 | 110.0° | 109.5° |
| NAP | CAM | H9 | 109.9° | 109.4° |
| CAM | CAL | CAN | 112.1° | 109.5° |
| CAL | CAM | H8 | 110.0° | 109.5° |
| CAL | CAM | H9 | 109.9° | 109.5° |
| CAM | CAL | H10 | 108.8° | 109.5° |
| CAM | CAL | H11 | 108.8° | 109.5° |
| CAL | CAN | NAQ | 110.6° | 109.5° |
| CAN | CAL | H10 | 108.8° | 109.5° |
| CAN | CAL | H11 | 108.8° | 109.4° |
| CAL | CAN | H12 | 109.2° | 109.5° |
| CAL | CAN | H13 | 109.2° | 109.4° |
| CAN | NAQ | CAV | 122.9° | 120.0° |
| NAQ | CAN | H12 | 109.2° | 109.5° |
| NAQ | CAN | H13 | 109.2° | 109.5° |
| CAN | NAQ | H14 | 106.0° | 119.9° |
| NAQ | CAV | CAK | 123.1° | 118.9° |
| NAQ | CAV | NAR | 117.9° | 119.0° |
| CAV | NAQ | H14 | 106.0° | 120.1° |
| CAK | CAV | NAR | 118.9° | 122.1° |
| CAV | CAK | CAW | 120.7° | 119.9° |
| CAV | CAK | H15 | 119.7° | 120.0° |
| CAV | NAR | CAX | 120.6° | 121.5° |
| CAV | NAR | H7 | 119.7° | 119.2° |
| CAK | CAW | OAA | 120.9° | 120.9° |
| CAK | CAW | CAY | 119.7° | 118.1° |
| CAW | CAK | H15 | 119.7° | 120.0° |
| NAR | CAX | CAY | 119.8° | 119.7° |
| NAR | CAX | CAF | 119.7° | 120.9° |
| CAX | NAR | H7 | 119.7° | 119.3° |
| OAA | CAW | CAY | 119.4° | 121.0° |
| CAW | CAY | CAX | 120.3° | 118.7° |
| CAW | CAY | CAG | 120.8° | 121.2° |
| CAY | CAX | CAF | 120.4° | 119.5° |
| CAX | CAY | CAG | 118.9° | 120.0° |
| CAX | CAF | CAD | 121.1° | 119.9° |
| CAX | CAF | H20 | 119.5° | 120.1° |
| CAY | CAG | CAE | 120.1° | 119.6° |
| CAY | CAG | H17 | 120.0° | 120.1° |
| CAF | CAD | CAE | 118.2° | 120.7° |
| CAF | CAD | H19 | 120.9° | 119.7° |
| CAD | CAF | H20 | 119.5° | 120.1° |
| CAG | CAE | CAD | 121.3° | 120.4° |
| CAE | CAG | H17 | 120.0° | 120.2° |
| CAG | CAE | H18 | 119.3° | 119.8° |
| CAD | CAE | H18 | 119.4° | 119.8° |
| CAE | CAD | H19 | 120.9° | 119.6° |
| H4 | CAO | H5 | 109.5° | 109.5° |
| H8 | CAM | H9 | 109.4° | 109.5° |
| H10 | CAL | H11 | 109.5° | 109.5° |
| H12 | CAN | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAU | CAI | CAJ | 178.1° | 179.5° |
| CAU | CAO | NAP | H4 | 119.2° | 120.0° |
| CAU | CAO | NAP | H5 | 119.2° | 120.0° |
| CAO | CAU | CAI | CAS | 179.3° | 179.9° |
| CAO | CAU | CAJ | CAT | 179.6° | 179.9° |
| CAU | CAO | NAP | CAM | 110.9° | 180.0° |
| CAO | CAU | CAI | H1 | 0.7° | 0.3° |
| CAO | CAU | CAJ | H3 | 0.4° | 0.2° |
| CAU | CAO | H4 | H5 | 122.3° | 120.0° |
| CAU | CAO | NAP | H6 | 129.6° | 56.1° |
| CAI | CAU | CAO | NAP | 98.2° | 90.0° |
| CAU | CAI | CAS | CL1 | 178.9° | 179.7° |
| CAU | CAI | CAS | H1 | 180.0° | 179.7° |
| CAU | CAI | CAS | CAH | 0.4° | 0.3° |
| CAI | CAU | CAJ | CAT | 1.6° | 0.6° |
| CAI | CAU | CAJ | H3 | 178.4° | 179.7° |
| CAI | CAU | CAO | H4 | 21.0° | 150.0° |
| CAI | CAU | CAO | H5 | 142.6° | 30.0° |
| CAJ | CAU | CAO | NAP | 79.8° | 89.5° |
| CAJ | CAU | CAI | CAS | 1.2° | 0.6° |
| CAU | CAJ | CAT | H3 | 180.0° | 179.7° |
| CAU | CAJ | CAT | CAH | 1.1° | 0.3° |
| CAU | CAJ | CAT | CL2 | 179.1° | 179.8° |
| CAJ | CAU | CAI | H1 | 178.8° | 179.8° |
| CAJ | CAU | CAO | H4 | 161.0° | 30.4° |
| CAJ | CAU | CAO | H5 | 39.4° | 150.5° |
| CAO | NAP | CAM | H6 | 119.6° | 124.0° |
| CAO | NAP | CAM | CAL | 172.2° | 180.0° |
| NAP | CAO | H4 | H5 | 122.2° | 120.0° |
| CAO | NAP | CAM | H8 | 68.1° | 60.0° |
| CAO | NAP | CAM | H9 | 52.4° | 60.0° |
| CL1 | CAS | CAI | CAH | 179.3° | 180.0° |
| CL1 | CAS | CAH | CAT | 179.4° | 180.0° |
| CL1 | CAS | CAI | H1 | 1.1° | 0.0° |
| CL1 | CAS | CAH | H2 | 0.7° | 0.1° |
| CAI | CAS | CAH | CAT | 0.1° | 0.0° |
| CAI | CAS | CAH | H2 | 179.9° | 179.9° |
| CAS | CAH | CAT | CAJ | 0.3° | 0.0° |
| CAS | CAH | CAT | H2 | 180.0° | 179.9° |
| CAS | CAH | CAT | CL2 | 179.9° | 180.0° |
| CAH | CAS | CAI | H1 | 179.6° | 179.9° |
| CAJ | CAT | CAH | CL2 | 179.8° | 180.0° |
| CAJ | CAT | CAH | H2 | 179.7° | 179.9° |
| CAH | CAT | CAJ | H3 | 178.9° | 180.0° |
| CL2 | CAT | CAH | H2 | 0.1° | 0.1° |
| CL2 | CAT | CAJ | H3 | 0.9° | 0.0° |
| NAP | CAM | CAL | H8 | 119.7° | 120.0° |
| NAP | CAM | CAL | H9 | 119.7° | 119.9° |
| NAP | CAM | CAL | CAN | 140.5° | 180.0° |
| CAM | NAP | CAO | H4 | 8.4° | 60.0° |
| CAM | NAP | CAO | H5 | 129.9° | 60.0° |
| NAP | CAM | H8 | H9 | 120.9° | 120.0° |
| NAP | CAM | CAL | H10 | 99.1° | 60.0° |
| NAP | CAM | CAL | H11 | 20.1° | 60.1° |
| CAM | CAL | CAN | H10 | 120.4° | 120.1° |
| CAM | CAL | CAN | H11 | 120.4° | 119.9° |
| CAM | CAL | CAN | NAQ | 91.5° | 180.0° |
| CAL | CAM | NAP | H6 | 52.6° | 56.0° |
| CAL | CAM | H8 | H9 | 120.9° | 120.0° |
| CAM | CAL | H10 | H11 | 118.8° | 120.0° |
| CAM | CAL | CAN | H12 | 28.7° | 59.9° |
| CAM | CAL | CAN | H13 | 148.3° | 60.1° |
| CAL | CAN | NAQ | H12 | 120.2° | 120.0° |
| CAL | CAN | NAQ | H13 | 120.2° | 119.9° |
| CAL | CAN | NAQ | CAV | 178.1° | 180.0° |
| CAN | CAL | CAM | H8 | 20.7° | 60.0° |
| CAN | CAL | CAM | H9 | 99.8° | 60.1° |
| CAN | CAL | H10 | H11 | 118.8° | 119.9° |
| CAL | CAN | H12 | H13 | 119.5° | 119.9° |
| CAL | CAN | NAQ | H14 | 60.1° | 0.1° |
| CAN | NAQ | CAV | H14 | 121.9° | 180.0° |
| CAN | NAQ | CAV | CAK | 1.7° | 180.0° |
| CAN | NAQ | CAV | NAR | 178.2° | 0.2° |
| NAQ | CAN | CAL | H10 | 148.1° | 59.9° |
| NAQ | CAN | CAL | H11 | 28.9° | 60.0° |
| NAQ | CAN | H12 | H13 | 119.5° | 120.0° |
| NAQ | CAV | CAK | NAR | 179.9° | 179.8° |
| NAQ | CAV | CAK | CAW | 180.0° | 179.9° |
| NAQ | CAV | NAR | CAX | 179.9° | 179.7° |
| CAV | NAQ | CAN | H12 | 57.9° | 60.0° |
| CAV | NAQ | CAN | H13 | 61.8° | 60.1° |
| NAQ | CAV | CAK | H15 | 0.1° | 0.0° |
| NAQ | CAV | NAR | H7 | 0.0° | 0.1° |
| CAV | CAK | CAW | H15 | 180.0° | 179.9° |
| CAK | CAV | NAR | CAX | 0.0° | 0.5° |
| CAV | CAK | CAW | OAA | 179.3° | 179.9° |
| CAV | CAK | CAW | CAY | 0.1° | 0.1° |
| CAK | CAV | NAQ | H14 | 120.1° | 0.0° |
| CAK | CAV | NAR | H7 | 180.0° | 179.7° |
| NAR | CAV | CAK | CAW | 0.0° | 0.3° |
| CAV | NAR | CAX | H7 | 180.0° | 179.8° |
| CAV | NAR | CAX | CAY | 0.1° | 0.5° |
| CAV | NAR | CAX | CAF | 180.0° | 179.8° |
| NAR | CAV | NAQ | H14 | 59.9° | 179.7° |
| NAR | CAV | CAK | H15 | 180.0° | 179.8° |
| CAK | CAW | OAA | CAY | 179.2° | 179.8° |
| CAK | CAW | CAY | CAX | 0.2° | 0.1° |
| CAK | CAW | CAY | CAG | 179.6° | 180.0° |
| NAR | CAX | CAY | CAW | 0.2° | 0.3° |
| NAR | CAX | CAY | CAF | 180.0° | 179.7° |
| NAR | CAX | CAY | CAG | 179.6° | 179.8° |
| NAR | CAX | CAF | CAD | 179.5° | 179.7° |
| NAR | CAX | CAF | H20 | 0.4° | 0.3° |
| OAA | CAW | CAY | CAX | 179.4° | 179.9° |
| OAA | CAW | CAY | CAG | 0.4° | 0.1° |
| OAA | CAW | CAK | H15 | 0.7° | 0.1° |
| CAW | CAY | CAX | CAG | 179.8° | 179.9° |
| CAW | CAY | CAX | CAF | 179.8° | 180.0° |
| CAW | CAY | CAG | CAE | 180.0° | 180.0° |
| CAY | CAW | CAK | H15 | 179.9° | 180.0° |
| CAW | CAY | CAG | H17 | 0.0° | 0.1° |
| CAY | CAX | CAF | CAD | 0.4° | 0.0° |
| CAX | CAY | CAG | CAE | 0.2° | 0.1° |
| CAX | CAY | CAG | H17 | 179.8° | 180.0° |
| CAY | CAX | CAF | H20 | 179.6° | 180.0° |
| CAY | CAX | NAR | H7 | 179.9° | 179.7° |
| CAF | CAX | CAY | CAG | 0.4° | 0.0° |
| CAX | CAF | CAD | H20 | 180.0° | 180.0° |
| CAX | CAF | CAD | CAE | 0.3° | 0.0° |
| CAX | CAF | CAD | H19 | 179.7° | 180.0° |
| CAF | CAX | NAR | H7 | 0.1° | 0.0° |
| CAY | CAG | CAE | H17 | 180.0° | 179.9° |
| CAY | CAG | CAE | CAD | 0.1° | 0.1° |
| CAY | CAG | CAE | H18 | 179.9° | 180.0° |
| CAF | CAD | CAE | CAG | 0.1° | 0.1° |
| CAF | CAD | CAE | H19 | 180.0° | 180.0° |
| CAF | CAD | CAE | H18 | 179.9° | 179.9° |
| CAG | CAE | CAD | H18 | 180.0° | 179.9° |
| CAG | CAE | CAD | H19 | 179.9° | 180.0° |
| CAD | CAE | CAG | H17 | 179.9° | 180.0° |
| CAE | CAD | CAF | H20 | 179.7° | 180.0° |
| H4 | CAO | NAP | H6 | 111.2° | 176.0° |
| H5 | CAO | NAP | H6 | 10.4° | 63.9° |
| H6 | NAP | CAM | H8 | 172.3° | 176.0° |
| H6 | NAP | CAM | H9 | 67.1° | 64.0° |
| H8 | CAM | CAL | H10 | 141.1° | 180.0° |
| H8 | CAM | CAL | H11 | 99.6° | 59.9° |
| H9 | CAM | CAL | H10 | 20.6° | 60.0° |
| H9 | CAM | CAL | H11 | 139.8° | 180.0° |
| H10 | CAL | CAN | H12 | 91.7° | 180.0° |
| H10 | CAL | CAN | H13 | 27.9° | 60.0° |
| H11 | CAL | CAN | H12 | 149.0° | 60.0° |
| H11 | CAL | CAN | H13 | 91.3° | 180.0° |
| H12 | CAN | NAQ | H14 | 179.8° | 120.0° |
| H13 | CAN | NAQ | H14 | 60.1° | 120.0° |
| H17 | CAG | CAE | H18 | 0.1° | 0.1° |
| H18 | CAE | CAD | H19 | 0.1° | 0.1° |
| H19 | CAD | CAF | H20 | 0.3° | 0.0° |
