LZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAT | doub | 1.39Å | 1.47Å | Aromatic |
| CAH | CAR | doub | 1.39Å | 1.43Å | Aromatic |
| CAT | CAR | sing | 1.39Å | 1.37Å | Aromatic |
| CAT | SAY | sing | 1.76Å | 1.77Å | |
| CAR | NAW | sing | 1.39Å | 1.44Å | |
| NAW | CAN | sing | 1.47Å | 1.52Å | |
| NAW | CAS | sing | 1.39Å | 1.44Å | |
| SAY | CAU | sing | 1.76Å | 1.73Å | |
| CAN | CAL | sing | 1.53Å | 1.59Å | |
| CAS | CAU | doub | 1.39Å | 1.36Å | Aromatic |
| CAS | CAO | sing | 1.39Å | 1.44Å | Aromatic |
| CAU | CAK | sing | 1.39Å | 1.48Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAQ | doub | 1.39Å | 1.42Å | Aromatic |
| CAQ | CAJ | sing | 1.39Å | 1.42Å | Aromatic |
| CAQ | SAX | sing | 1.76Å | 1.79Å | |
| SAX | CAB | sing | 1.81Å | 1.78Å | |
| CAL | CAP | sing | 1.53Å | 1.46Å | |
| CAG | CAP | sing | 1.53Å | 1.52Å | |
| CAG | CAE | sing | 1.53Å | 1.48Å | |
| CAP | NAV | sing | 1.47Å | 1.49Å | |
| CAE | CAF | sing | 1.53Å | 1.48Å | |
| NAV | CAM | sing | 1.47Å | 1.47Å | |
| NAV | CAA | sing | 1.47Å | 1.49Å | |
| CAF | CAM | sing | 1.53Å | 1.50Å | |
| 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 | 1.08Å | 1.08Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CAE | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| CAG | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å | |
| CAJ | H17 | sing | 1.08Å | 1.08Å | |
| CAK | H18 | sing | 1.08Å | 1.08Å | |
| CAL | H19 | sing | 1.09Å | 1.10Å | |
| CAL | H20 | sing | 1.09Å | 1.10Å | |
| CAM | H21 | sing | 1.09Å | 1.10Å | |
| CAM | H22 | sing | 1.09Å | 1.10Å | |
| CAN | H23 | sing | 1.09Å | 1.10Å | |
| CAN | H24 | sing | 1.09Å | 1.10Å | |
| CAO | H25 | sing | 1.08Å | 1.08Å | |
| CAP | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAI | 121.2° | 120.0° |
| CAD | CAC | CAH | 118.3° | 120.1° |
| CAD | CAC | H7 | 120.8° | 119.9° |
| CAC | CAD | H8 | 119.4° | 120.0° |
| CAD | CAI | CAT | 120.6° | 120.3° |
| CAI | CAD | H8 | 119.4° | 120.1° |
| CAD | CAI | H16 | 119.7° | 119.9° |
| CAC | CAH | CAR | 120.9° | 120.4° |
| CAH | CAC | H7 | 120.9° | 119.9° |
| CAC | CAH | H15 | 119.6° | 119.8° |
| CAI | CAT | CAR | 117.8° | 119.9° |
| CAI | CAT | SAY | 124.3° | 119.4° |
| CAT | CAI | H16 | 119.7° | 119.8° |
| CAH | CAR | CAT | 121.3° | 119.3° |
| CAH | CAR | NAW | 115.7° | 118.8° |
| CAR | CAH | H15 | 119.5° | 119.8° |
| CAR | CAT | SAY | 117.3° | 120.7° |
| CAT | CAR | NAW | 122.9° | 121.8° |
| CAT | SAY | CAU | 109.3° | 103.5° |
| CAR | NAW | CAN | 114.4° | 117.8° |
| CAR | NAW | CAS | 125.3° | 124.4° |
| CAN | NAW | CAS | 116.9° | 117.8° |
| NAW | CAN | CAL | 107.2° | 109.4° |
| NAW | CAN | H23 | 110.0° | 109.5° |
| NAW | CAN | H24 | 110.0° | 109.5° |
| NAW | CAS | CAU | 123.9° | 121.6° |
| NAW | CAS | CAO | 116.9° | 118.9° |
| SAY | CAU | CAS | 117.3° | 120.8° |
| SAY | CAU | CAK | 121.0° | 119.2° |
| CAN | CAL | CAP | 128.9° | 109.4° |
| CAN | CAL | H19 | 104.4° | 109.5° |
| CAN | CAL | H20 | 104.4° | 109.4° |
| CAL | CAN | H23 | 110.0° | 109.4° |
| CAL | CAN | H24 | 110.0° | 109.5° |
| CAU | CAS | CAO | 119.0° | 119.5° |
| CAS | CAU | CAK | 121.4° | 120.0° |
| CAS | CAO | CAQ | 120.8° | 120.3° |
| CAS | CAO | H25 | 119.6° | 119.8° |
| CAU | CAK | CAJ | 118.4° | 120.3° |
| CAU | CAK | H18 | 120.8° | 119.9° |
| CAK | CAJ | CAQ | 120.7° | 119.9° |
| CAK | CAJ | H17 | 119.7° | 120.0° |
| CAJ | CAK | H18 | 120.8° | 119.8° |
| CAO | CAQ | CAJ | 119.6° | 120.0° |
| CAO | CAQ | SAX | 117.7° | 120.0° |
| CAQ | CAO | H25 | 119.6° | 119.9° |
| CAJ | CAQ | SAX | 122.7° | 120.0° |
| CAQ | CAJ | H17 | 119.6° | 120.1° |
| CAQ | SAX | CAB | 109.7° | 103.0° |
| SAX | CAB | H4 | 109.5° | 109.4° |
| SAX | CAB | H5 | 109.5° | 109.5° |
| SAX | CAB | H6 | 109.5° | 109.5° |
| CAL | CAP | CAG | 111.3° | 109.5° |
| CAL | CAP | NAV | 108.4° | 109.5° |
| CAP | CAL | H19 | 104.4° | 109.5° |
| CAP | CAL | H20 | 104.4° | 109.5° |
| CAL | CAP | H26 | 109.2° | 109.5° |
| CAP | CAG | CAE | 114.0° | 109.3° |
| CAG | CAP | NAV | 110.4° | 109.5° |
| CAP | CAG | H13 | 108.3° | 109.5° |
| CAP | CAG | H14 | 108.3° | 109.5° |
| CAG | CAP | H26 | 108.5° | 109.4° |
| CAG | CAE | CAF | 116.1° | 109.2° |
| CAG | CAE | H9 | 107.8° | 109.5° |
| CAG | CAE | H10 | 107.8° | 109.6° |
| CAE | CAG | H13 | 108.3° | 109.5° |
| CAE | CAG | H14 | 108.3° | 109.5° |
| CAP | NAV | CAM | 115.3° | 111.2° |
| CAP | NAV | CAA | 142.0° | 111.0° |
| NAV | CAP | H26 | 108.9° | 109.4° |
| CAE | CAF | CAM | 112.4° | 109.3° |
| CAF | CAE | H9 | 107.8° | 109.5° |
| CAF | CAE | H10 | 107.8° | 109.5° |
| CAE | CAF | H11 | 108.7° | 109.5° |
| CAE | CAF | H12 | 108.7° | 109.5° |
| CAM | NAV | CAA | 93.9° | 110.9° |
| NAV | CAM | CAF | 112.6° | 109.5° |
| NAV | CAM | H21 | 108.7° | 109.5° |
| NAV | CAM | H22 | 108.7° | 109.4° |
| NAV | CAA | H1 | 109.5° | 109.4° |
| NAV | CAA | H2 | 109.4° | 109.5° |
| NAV | CAA | H3 | 109.5° | 109.5° |
| CAM | CAF | H11 | 108.7° | 109.5° |
| CAM | CAF | H12 | 108.7° | 109.5° |
| CAF | CAM | H21 | 108.7° | 109.5° |
| CAF | CAM | H22 | 108.7° | 109.4° |
| 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 | 109.4° | 109.5° |
| H9 | CAE | H10 | 109.4° | 109.5° |
| H11 | CAF | H12 | 109.5° | 109.5° |
| H13 | CAG | H14 | 109.5° | 109.6° |
| H19 | CAL | H20 | 109.5° | 109.5° |
| H21 | CAM | H22 | 109.5° | 109.5° |
| H23 | CAN | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAI | H8 | 180.0° | 179.9° |
| CAD | CAC | CAH | H7 | 180.0° | 179.7° |
| CAC | CAD | CAI | CAT | 3.3° | 0.0° |
| CAD | CAC | CAH | CAR | 0.4° | 0.3° |
| CAD | CAC | CAH | H15 | 179.6° | 179.6° |
| CAC | CAD | CAI | H16 | 176.7° | 180.0° |
| CAI | CAD | CAC | CAH | 1.6° | 0.1° |
| CAD | CAI | CAT | H16 | 180.0° | 180.0° |
| CAD | CAI | CAT | CAR | 3.0° | 0.1° |
| CAD | CAI | CAT | SAY | 167.5° | 179.7° |
| CAI | CAD | CAC | H7 | 178.4° | 179.8° |
| CAC | CAH | CAR | H15 | 180.0° | 180.0° |
| CAC | CAH | CAR | CAT | 0.6° | 0.4° |
| CAC | CAH | CAR | NAW | 176.1° | 179.8° |
| CAH | CAC | CAD | H8 | 178.4° | 179.9° |
| CAI | CAT | CAR | CAH | 1.1° | 0.3° |
| CAI | CAT | CAR | SAY | 171.1° | 179.6° |
| CAI | CAT | CAR | NAW | 174.1° | 179.6° |
| CAI | CAT | SAY | CAU | 168.6° | 162.3° |
| CAT | CAI | CAD | H8 | 176.7° | 180.0° |
| CAH | CAR | CAT | NAW | 175.2° | 179.4° |
| CAH | CAR | CAT | SAY | 170.1° | 179.9° |
| CAH | CAR | NAW | CAN | 20.1° | 24.8° |
| CAH | CAR | NAW | CAS | 178.7° | 155.3° |
| CAR | CAH | CAC | H7 | 179.6° | 180.0° |
| CAT | CAR | NAW | CAN | 164.5° | 154.5° |
| CAT | CAR | NAW | CAS | 5.8° | 25.4° |
| CAR | CAT | SAY | CAU | 20.8° | 17.3° |
| CAT | CAR | CAH | H15 | 179.4° | 179.6° |
| CAR | CAT | CAI | H16 | 177.0° | 179.9° |
| SAY | CAT | CAR | NAW | 14.8° | 0.8° |
| CAT | SAY | CAU | CAS | 20.3° | 17.0° |
| CAT | SAY | CAU | CAK | 165.7° | 162.9° |
| SAY | CAT | CAI | H16 | 12.5° | 0.3° |
| CAR | NAW | CAN | CAS | 160.5° | 179.9° |
| CAR | NAW | CAN | CAL | 73.2° | 90.0° |
| CAR | NAW | CAS | CAU | 5.3° | 25.7° |
| CAR | NAW | CAS | CAO | 179.5° | 155.3° |
| NAW | CAR | CAH | H15 | 3.9° | 0.2° |
| CAR | NAW | CAN | H23 | 46.5° | 29.9° |
| CAR | NAW | CAN | H24 | 167.2° | 150.0° |
| NAW | CAN | CAL | H23 | 119.6° | 120.0° |
| NAW | CAN | CAL | H24 | 119.6° | 120.0° |
| CAN | NAW | CAS | CAU | 163.4° | 154.2° |
| CAN | NAW | CAS | CAO | 22.3° | 24.8° |
| NAW | CAN | CAL | CAP | 174.3° | 177.7° |
| NAW | CAN | CAL | H19 | 51.7° | 57.7° |
| NAW | CAN | CAL | H20 | 63.2° | 62.3° |
| NAW | CAN | H23 | H24 | 121.1° | 120.1° |
| NAW | CAS | CAU | SAY | 13.9° | 1.4° |
| CAS | NAW | CAN | CAL | 87.4° | 90.1° |
| NAW | CAS | CAU | CAO | 174.2° | 179.0° |
| NAW | CAS | CAU | CAK | 172.1° | 178.7° |
| NAW | CAS | CAO | CAQ | 173.2° | 178.8° |
| CAS | NAW | CAN | H23 | 153.0° | 150.0° |
| CAS | NAW | CAN | H24 | 32.2° | 29.9° |
| NAW | CAS | CAO | H25 | 6.7° | 1.1° |
| SAY | CAU | CAS | CAK | 174.0° | 179.9° |
| SAY | CAU | CAS | CAO | 171.9° | 179.6° |
| SAY | CAU | CAK | CAJ | 170.9° | 179.7° |
| SAY | CAU | CAK | H18 | 9.1° | 0.3° |
| CAN | CAL | CAP | H19 | 122.5° | 120.0° |
| CAN | CAL | CAP | H20 | 122.5° | 119.9° |
| CAN | CAL | CAP | CAG | 47.8° | 66.1° |
| CAN | CAL | CAP | NAV | 169.5° | 173.8° |
| CAN | CAL | H19 | H20 | 111.3° | 120.0° |
| CAL | CAN | H23 | H24 | 121.0° | 120.0° |
| CAN | CAL | CAP | H26 | 72.0° | 53.9° |
| CAS | CAU | CAK | CAJ | 2.9° | 0.2° |
| CAU | CAS | CAO | CAQ | 1.3° | 0.2° |
| CAS | CAU | CAK | H18 | 177.1° | 179.8° |
| CAU | CAS | CAO | H25 | 178.7° | 179.8° |
| CAO | CAS | CAU | CAK | 2.1° | 0.3° |
| CAS | CAO | CAQ | H25 | 180.0° | 179.9° |
| CAS | CAO | CAQ | CAJ | 1.4° | 0.1° |
| CAS | CAO | CAQ | SAX | 179.7° | 180.0° |
| CAU | CAK | CAJ | H18 | 180.0° | 180.0° |
| CAU | CAK | CAJ | CAQ | 2.9° | 0.1° |
| CAU | CAK | CAJ | H17 | 177.1° | 180.0° |
| CAK | CAJ | CAQ | CAO | 2.2° | 0.0° |
| CAK | CAJ | CAQ | H17 | 180.0° | 180.0° |
| CAK | CAJ | CAQ | SAX | 179.6° | 180.0° |
| CAO | CAQ | CAJ | SAX | 178.2° | 180.0° |
| CAO | CAQ | SAX | CAB | 15.2° | 180.0° |
| CAO | CAQ | CAJ | H17 | 177.8° | 179.9° |
| CAJ | CAQ | SAX | CAB | 163.0° | 0.0° |
| CAQ | CAJ | CAK | H18 | 177.1° | 180.0° |
| CAJ | CAQ | CAO | H25 | 178.7° | 180.0° |
| CAQ | SAX | CAB | H4 | 180.0° | 60.0° |
| CAQ | SAX | CAB | H5 | 60.0° | 60.0° |
| CAQ | SAX | CAB | H6 | 60.0° | 180.0° |
| SAX | CAQ | CAJ | H17 | 0.4° | 0.1° |
| SAX | CAQ | CAO | H25 | 0.4° | 0.0° |
| SAX | CAB | H4 | H5 | 120.0° | 120.0° |
| SAX | CAB | H4 | H6 | 120.0° | 120.0° |
| SAX | CAB | H5 | H6 | 120.0° | 120.0° |
| CAL | CAP | CAG | NAV | 120.5° | 120.0° |
| CAL | CAP | CAG | H26 | 120.2° | 120.0° |
| CAL | CAP | CAG | CAE | 167.5° | 179.2° |
| CAL | CAP | NAV | H26 | 118.8° | 120.0° |
| CAL | CAP | NAV | CAM | 173.9° | 178.2° |
| CAL | CAP | NAV | CAA | 49.4° | 54.1° |
| CAL | CAP | CAG | H13 | 46.8° | 60.9° |
| CAL | CAP | CAG | H14 | 71.8° | 59.3° |
| CAP | CAL | H19 | H20 | 111.3° | 120.1° |
| CAP | CAL | CAN | H23 | 66.1° | 57.7° |
| CAP | CAL | CAN | H24 | 54.6° | 62.3° |
| CAP | CAG | CAE | H13 | 120.7° | 120.0° |
| CAP | CAG | CAE | H14 | 120.7° | 119.9° |
| CAG | CAP | NAV | H26 | 119.0° | 119.9° |
| CAP | CAG | CAE | CAF | 46.0° | 57.6° |
| CAG | CAP | NAV | CAM | 51.7° | 61.7° |
| CAG | CAP | NAV | CAA | 171.6° | 174.2° |
| CAP | CAG | CAE | H9 | 166.9° | 62.3° |
| CAP | CAG | CAE | H10 | 75.0° | 177.6° |
| CAP | CAG | H13 | H14 | 117.9° | 120.1° |
| CAG | CAP | CAL | H19 | 170.4° | 173.9° |
| CAG | CAP | CAL | H20 | 74.7° | 53.8° |
| CAE | CAG | CAP | NAV | 47.0° | 59.1° |
| CAG | CAE | CAF | H9 | 121.0° | 119.9° |
| CAG | CAE | CAF | H10 | 121.0° | 120.0° |
| CAG | CAE | CAF | CAM | 45.4° | 57.6° |
| CAG | CAE | H9 | H10 | 117.0° | 120.2° |
| CAG | CAE | CAF | H11 | 75.0° | 62.3° |
| CAG | CAE | CAF | H12 | 165.9° | 177.6° |
| CAE | CAG | H13 | H14 | 117.9° | 120.1° |
| CAE | CAG | CAP | H26 | 72.2° | 60.8° |
| CAP | NAV | CAM | CAA | 154.9° | 124.1° |
| CAP | NAV | CAM | CAF | 53.0° | 61.7° |
| CAP | NAV | CAA | H1 | 180.0° | 67.0° |
| CAP | NAV | CAA | H2 | 60.0° | 173.1° |
| CAP | NAV | CAA | H3 | 60.0° | 53.0° |
| NAV | CAP | CAG | H13 | 73.6° | 179.1° |
| NAV | CAP | CAG | H14 | 167.7° | 60.8° |
| NAV | CAP | CAL | H19 | 68.0° | 53.9° |
| NAV | CAP | CAL | H20 | 46.9° | 66.2° |
| CAP | NAV | CAM | H21 | 67.5° | 178.3° |
| CAP | NAV | CAM | H22 | 173.5° | 58.3° |
| CAE | CAF | CAM | NAV | 47.7° | 59.1° |
| CAE | CAF | CAM | H11 | 120.4° | 120.0° |
| CAE | CAF | CAM | H12 | 120.4° | 120.0° |
| CAF | CAE | H9 | H10 | 117.0° | 120.2° |
| CAE | CAF | H11 | H12 | 118.6° | 120.1° |
| CAF | CAE | CAG | H13 | 74.7° | 177.6° |
| CAF | CAE | CAG | H14 | 166.6° | 62.3° |
| CAE | CAF | CAM | H21 | 72.8° | 179.2° |
| CAE | CAF | CAM | H22 | 168.1° | 60.8° |
| NAV | CAM | CAF | H21 | 120.5° | 120.1° |
| NAV | CAM | CAF | H22 | 120.5° | 120.0° |
| CAM | NAV | CAA | H1 | 38.5° | 168.8° |
| CAM | NAV | CAA | H2 | 81.5° | 48.8° |
| CAM | NAV | CAA | H3 | 158.5° | 71.3° |
| NAV | CAM | CAF | H11 | 72.8° | 60.8° |
| NAV | CAM | CAF | H12 | 168.1° | 179.1° |
| NAV | CAM | H21 | H22 | 118.6° | 120.0° |
| CAM | NAV | CAP | H26 | 67.3° | 58.2° |
| CAA | NAV | CAM | CAF | 152.1° | 174.2° |
| NAV | CAA | H1 | H2 | 120.0° | 120.0° |
| NAV | CAA | H1 | H3 | 120.0° | 120.0° |
| NAV | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | NAV | CAM | H21 | 87.5° | 54.1° |
| CAA | NAV | CAM | H22 | 31.6° | 65.9° |
| CAA | NAV | CAP | H26 | 69.4° | 65.8° |
| CAM | CAF | CAE | H9 | 166.4° | 62.3° |
| CAM | CAF | CAE | H10 | 75.5° | 177.6° |
| CAM | CAF | H11 | H12 | 118.7° | 120.0° |
| CAF | CAM | H21 | H22 | 118.6° | 119.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | CAD | H8 | 1.6° | 0.2° |
| H7 | CAC | CAH | H15 | 0.4° | 0.1° |
| H8 | CAD | CAI | H16 | 3.3° | 0.0° |
| H9 | CAE | CAF | H11 | 46.0° | 177.8° |
| H9 | CAE | CAF | H12 | 73.1° | 57.7° |
| H9 | CAE | CAG | H13 | 46.3° | 57.7° |
| H9 | CAE | CAG | H14 | 72.4° | 177.8° |
| H10 | CAE | CAF | H11 | 164.0° | 57.7° |
| H10 | CAE | CAF | H12 | 44.9° | 62.5° |
| H10 | CAE | CAG | H13 | 164.3° | 62.5° |
| H10 | CAE | CAG | H14 | 45.7° | 57.7° |
| H11 | CAF | CAM | H21 | 166.8° | 59.2° |
| H11 | CAF | CAM | H22 | 47.7° | 179.2° |
| H12 | CAF | CAM | H21 | 47.7° | 60.8° |
| H12 | CAF | CAM | H22 | 71.4° | 59.2° |
| H13 | CAG | CAP | H26 | 167.1° | 59.2° |
| H14 | CAG | CAP | H26 | 48.4° | 179.3° |
| H17 | CAJ | CAK | H18 | 2.9° | 0.0° |
| H19 | CAL | CAN | H23 | 171.4° | 62.3° |
| H19 | CAL | CAN | H24 | 67.9° | 177.7° |
| H19 | CAL | CAP | H26 | 50.6° | 66.1° |
| H20 | CAL | CAN | H23 | 56.4° | 177.7° |
| H20 | CAL | CAN | H24 | 177.1° | 57.7° |
| H20 | CAL | CAP | H26 | 165.5° | 173.8° |
