3LH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAY | NAV | sing | 1.40Å | 1.19Å | Aromatic |
| NAY | CAO | doub | 1.31Å | 1.32Å | Aromatic |
| NAV | CAM | sing | 1.35Å | 1.33Å | Aromatic |
| CAO | CBC | sing | 1.41Å | 1.31Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.37Å | Aromatic |
| CAG | CBA | sing | 1.38Å | 1.38Å | Aromatic |
| CAA | CBA | sing | 1.51Å | 1.38Å | |
| CAM | CBC | doub | 1.36Å | 1.31Å | Aromatic |
| CBC | CBB | sing | 1.48Å | 1.31Å | |
| CAH | CBD | sing | 1.39Å | 1.38Å | Aromatic |
| CBA | CBE | doub | 1.39Å | 1.37Å | Aromatic |
| CAI | CBB | doub | 1.40Å | 1.37Å | Aromatic |
| CAI | CAK | sing | 1.36Å | 1.38Å | Aromatic |
| CBB | CAQ | sing | 1.38Å | 1.37Å | Aromatic |
| CAK | CBH | doub | 1.40Å | 1.38Å | Aromatic |
| CAQ | CBI | doub | 1.40Å | 1.38Å | Aromatic |
| CBH | CBI | sing | 1.42Å | 1.38Å | Aromatic |
| CBH | NAW | sing | 1.34Å | 1.32Å | Aromatic |
| CBI | CBJ | sing | 1.41Å | 1.39Å | Aromatic |
| CBD | NBL | sing | 1.40Å | 1.33Å | |
| CBD | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CBE | CAP | sing | 1.39Å | 1.38Å | Aromatic |
| CBE | NAX | sing | 1.40Å | 1.32Å | |
| NAW | CAN | doub | 1.31Å | 1.38Å | Aromatic |
| CBJ | NBL | sing | 1.37Å | 1.34Å | |
| CBJ | CBG | doub | 1.40Å | 1.38Å | Aromatic |
| NBL | CBF | sing | 1.35Å | 1.33Å | |
| CAN | CBG | sing | 1.41Å | 1.38Å | Aromatic |
| CBG | CAL | sing | 1.42Å | 1.38Å | |
| NAX | CAZ | sing | 1.35Å | 1.32Å | |
| CBF | OAE | doub | 1.22Å | 1.22Å | |
| CBF | CAJ | sing | 1.41Å | 1.38Å | |
| CAL | CAJ | doub | 1.36Å | 1.38Å | |
| CAZ | CAT | sing | 1.51Å | 1.51Å | |
| CAZ | OAD | doub | 1.21Å | 1.22Å | |
| CAT | CAR | sing | 1.53Å | 1.51Å | |
| CAR | H1 | sing | 1.09Å | 1.10Å | |
| CAR | H2 | sing | 1.09Å | 1.10Å | |
| CAR | H3 | sing | 1.09Å | 1.10Å | |
| CAT | H4 | sing | 1.09Å | 1.10Å | |
| CAT | H5 | sing | 1.09Å | 1.10Å | |
| NAX | H6 | sing | 0.97Å | 1.00Å | |
| CAP | H7 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAQ | H13 | sing | 1.08Å | 1.08Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAL | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å | |
| CAI | H18 | sing | 1.08Å | 1.08Å | |
| CAM | H19 | sing | 1.08Å | 1.08Å | |
| NAV | H20 | sing | 0.97Å | 1.00Å | |
| CAO | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAV | NAY | CAO | 110.9° | 108.5° |
| NAY | NAV | CAM | 110.9° | 108.2° |
| NAY | NAV | H20 | 124.6° | 125.8° |
| NAY | CAO | CBC | 104.6° | 108.1° |
| NAY | CAO | H21 | 127.7° | 126.0° |
| NAV | CAM | CBC | 104.5° | 107.7° |
| NAV | CAM | H19 | 127.8° | 126.2° |
| CAM | NAV | H20 | 124.5° | 126.0° |
| CAO | CBC | CAM | 109.1° | 107.5° |
| CAO | CBC | CBB | 125.5° | 126.2° |
| CBC | CAO | H21 | 127.7° | 125.9° |
| CAH | CAG | CBA | 118.3° | 120.2° |
| CAG | CAH | CBD | 121.6° | 120.0° |
| CAH | CAG | H11 | 120.9° | 119.9° |
| CAG | CAH | H12 | 119.2° | 120.0° |
| CAG | CBA | CAA | 120.5° | 119.9° |
| CAG | CBA | CBE | 120.2° | 120.1° |
| CBA | CAG | H11 | 120.8° | 119.9° |
| CAA | CBA | CBE | 119.3° | 120.0° |
| CBA | CAA | H8 | 109.5° | 109.5° |
| CBA | CAA | H9 | 109.5° | 109.5° |
| CBA | CAA | H10 | 109.5° | 109.4° |
| CAM | CBC | CBB | 125.4° | 126.3° |
| CBC | CAM | H19 | 127.7° | 126.1° |
| CBC | CBB | CAI | 119.7° | 119.8° |
| CBC | CBB | CAQ | 119.5° | 119.9° |
| CAH | CBD | NBL | 118.2° | 120.0° |
| CAH | CBD | CAP | 120.2° | 119.9° |
| CBD | CAH | H12 | 119.2° | 119.9° |
| CBA | CBE | CAP | 121.9° | 119.9° |
| CBA | CBE | NAX | 114.0° | 120.1° |
| CBB | CAI | CAK | 118.8° | 120.9° |
| CAI | CBB | CAQ | 120.8° | 120.4° |
| CBB | CAI | H18 | 120.6° | 119.6° |
| CAI | CAK | CBH | 120.4° | 120.2° |
| CAI | CAK | H17 | 119.8° | 119.9° |
| CAK | CAI | H18 | 120.6° | 119.6° |
| CBB | CAQ | CBI | 120.8° | 119.5° |
| CBB | CAQ | H13 | 119.6° | 120.3° |
| CAK | CBH | CBI | 120.9° | 119.2° |
| CAK | CBH | NAW | 118.2° | 120.5° |
| CBH | CAK | H17 | 119.8° | 119.9° |
| CAQ | CBI | CBH | 118.4° | 119.9° |
| CAQ | CBI | CBJ | 120.9° | 121.3° |
| CBI | CAQ | H13 | 119.6° | 120.2° |
| CBI | CBH | NAW | 121.0° | 120.3° |
| CBH | CBI | CBJ | 120.7° | 118.8° |
| CBH | NAW | CAN | 119.7° | 122.4° |
| CBI | CBJ | NBL | 123.2° | 121.8° |
| CBI | CBJ | CBG | 117.9° | 118.0° |
| NBL | CBD | CAP | 121.5° | 120.1° |
| CBD | NBL | CBJ | 123.0° | 119.8° |
| CBD | NBL | CBF | 116.1° | 119.9° |
| CBD | CAP | CBE | 117.7° | 119.9° |
| CBD | CAP | H7 | 121.2° | 120.1° |
| CAP | CBE | NAX | 124.0° | 120.0° |
| CBE | CAP | H7 | 121.2° | 120.1° |
| CBE | NAX | CAZ | 120.4° | 120.0° |
| CBE | NAX | H6 | 119.8° | 120.0° |
| NAW | CAN | CBG | 120.6° | 121.2° |
| NAW | CAN | H16 | 119.7° | 119.4° |
| NBL | CBJ | CBG | 118.8° | 120.2° |
| CBJ | NBL | CBF | 120.9° | 120.4° |
| CBJ | CBG | CAN | 120.1° | 119.3° |
| CBJ | CBG | CAL | 121.1° | 119.3° |
| NBL | CBF | OAE | 119.1° | 119.5° |
| NBL | CBF | CAJ | 122.2° | 120.9° |
| CAN | CBG | CAL | 118.8° | 121.4° |
| CBG | CAN | H16 | 119.7° | 119.4° |
| CBG | CAL | CAJ | 118.9° | 119.1° |
| CBG | CAL | H15 | 120.6° | 120.5° |
| NAX | CAZ | CAT | 113.3° | 120.0° |
| NAX | CAZ | OAD | 125.4° | 120.0° |
| CAZ | NAX | H6 | 119.8° | 120.0° |
| OAE | CBF | CAJ | 118.7° | 119.6° |
| CBF | CAJ | CAL | 118.1° | 120.2° |
| CBF | CAJ | H14 | 120.9° | 119.9° |
| CAL | CAJ | H14 | 121.0° | 119.9° |
| CAJ | CAL | H15 | 120.6° | 120.5° |
| CAT | CAZ | OAD | 121.2° | 120.0° |
| CAZ | CAT | CAR | 107.2° | 109.5° |
| CAZ | CAT | H4 | 110.0° | 109.5° |
| CAZ | CAT | H5 | 110.0° | 109.5° |
| CAT | CAR | H1 | 109.5° | 109.4° |
| CAT | CAR | H2 | 109.5° | 109.5° |
| CAT | CAR | H3 | 109.5° | 109.5° |
| CAR | CAT | H4 | 110.0° | 109.5° |
| CAR | CAT | H5 | 110.0° | 109.5° |
| H1 | CAR | H2 | 109.5° | 109.5° |
| H1 | CAR | H3 | 109.4° | 109.5° |
| H2 | CAR | H3 | 109.4° | 109.5° |
| H4 | CAT | H5 | 109.5° | 109.4° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H8 | CAA | H10 | 109.5° | 109.5° |
| H9 | CAA | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAY | NAV | CAM | H20 | 180.0° | 180.0° |
| NAV | NAY | CAO | CBC | 0.1° | 0.4° |
| NAY | NAV | CAM | CBC | 0.2° | 0.0° |
| NAY | NAV | CAM | H19 | 179.8° | 180.0° |
| NAV | NAY | CAO | H21 | 180.0° | 180.0° |
| CAO | NAY | NAV | CAM | 0.2° | 0.2° |
| NAY | CAO | CBC | H21 | 180.0° | 179.6° |
| NAY | CAO | CBC | CAM | 0.1° | 0.4° |
| NAY | CAO | CBC | CBB | 179.2° | 179.9° |
| CAO | NAY | NAV | H20 | 179.8° | 179.8° |
| NAV | CAM | CBC | CAO | 0.2° | 0.3° |
| NAV | CAM | CBC | H19 | 180.0° | 180.0° |
| NAV | CAM | CBC | CBB | 179.3° | 180.0° |
| CAO | CBC | CAM | CBB | 179.2° | 179.7° |
| CAO | CBC | CBB | CAI | 3.0° | 171.0° |
| CAO | CBC | CBB | CAQ | 175.9° | 8.9° |
| CAO | CBC | CAM | H19 | 179.8° | 179.8° |
| CAH | CAG | CBA | H11 | 180.0° | 179.6° |
| CAH | CAG | CBA | CAA | 179.3° | 180.0° |
| CAG | CAH | CBD | H12 | 180.0° | 179.7° |
| CAH | CAG | CBA | CBE | 1.0° | 0.1° |
| CAG | CAH | CBD | NBL | 179.3° | 180.0° |
| CAG | CAH | CBD | CAP | 3.5° | 0.5° |
| CAG | CBA | CAA | CBE | 179.7° | 179.9° |
| CBA | CAG | CAH | CBD | 2.3° | 0.3° |
| CAG | CBA | CBE | CAP | 0.8° | 0.0° |
| CAG | CBA | CBE | NAX | 179.2° | 179.8° |
| CAG | CBA | CAA | H8 | 90.2° | 90.0° |
| CAG | CBA | CAA | H9 | 149.8° | 30.1° |
| CAG | CBA | CAA | H10 | 29.8° | 150.0° |
| CBA | CAG | CAH | H12 | 177.7° | 180.0° |
| CAA | CBA | CBE | CAP | 179.5° | 179.9° |
| CAA | CBA | CBE | NAX | 1.1° | 0.3° |
| CBA | CAA | H8 | H9 | 120.0° | 120.0° |
| CBA | CAA | H8 | H10 | 120.0° | 120.0° |
| CBA | CAA | H9 | H10 | 120.0° | 120.0° |
| CAA | CBA | CAG | H11 | 0.6° | 0.4° |
| CAM | CBC | CBB | CAI | 178.0° | 8.7° |
| CAM | CBC | CBB | CAQ | 3.1° | 171.4° |
| CBC | CAM | NAV | H20 | 179.8° | 180.0° |
| CAM | CBC | CAO | H21 | 179.9° | 180.0° |
| CBC | CBB | CAI | CAQ | 178.9° | 179.9° |
| CBC | CBB | CAI | CAK | 179.7° | 180.0° |
| CBC | CBB | CAQ | CBI | 179.9° | 180.0° |
| CBC | CBB | CAQ | H13 | 0.1° | 0.0° |
| CBC | CBB | CAI | H18 | 0.4° | 0.2° |
| CBB | CBC | CAM | H19 | 0.6° | 0.1° |
| CBB | CBC | CAO | H21 | 0.7° | 0.3° |
| CAH | CBD | NBL | CAP | 175.7° | 179.5° |
| CAH | CBD | CAP | CBE | 3.1° | 0.5° |
| CAH | CBD | NBL | CBJ | 54.7° | 92.2° |
| CAH | CBD | NBL | CBF | 122.8° | 88.1° |
| CAH | CBD | CAP | H7 | 176.9° | 179.5° |
| CBD | CAH | CAG | H11 | 177.7° | 179.9° |
| CBA | CBE | CAP | CBD | 1.9° | 0.2° |
| CBA | CBE | CAP | NAX | 178.2° | 179.7° |
| CBA | CBE | NAX | CAZ | 139.1° | 154.9° |
| CBA | CBE | NAX | H6 | 41.0° | 25.1° |
| CBA | CBE | CAP | H7 | 178.1° | 179.7° |
| CBE | CBA | CAA | H8 | 90.1° | 89.9° |
| CBE | CBA | CAA | H9 | 29.8° | 150.0° |
| CBE | CBA | CAA | H10 | 149.8° | 30.1° |
| CBE | CBA | CAG | H11 | 179.0° | 179.7° |
| CBB | CAI | CAK | H18 | 180.0° | 179.8° |
| CBB | CAI | CAK | CBH | 0.3° | 0.1° |
| CAI | CBB | CAQ | CBI | 1.0° | 0.1° |
| CAI | CBB | CAQ | H13 | 179.0° | 179.9° |
| CBB | CAI | CAK | H17 | 179.6° | 179.9° |
| CAK | CAI | CBB | CAQ | 0.8° | 0.1° |
| CAI | CAK | CBH | H17 | 180.0° | 180.0° |
| CAI | CAK | CBH | CBI | 0.1° | 0.0° |
| CAI | CAK | CBH | NAW | 180.0° | 180.0° |
| CBB | CAQ | CBI | H13 | 180.0° | 180.0° |
| CBB | CAQ | CBI | CBH | 0.7° | 0.0° |
| CBB | CAQ | CBI | CBJ | 179.4° | 180.0° |
| CAQ | CBB | CAI | H18 | 179.2° | 180.0° |
| CAK | CBH | CBI | CAQ | 0.3° | 0.0° |
| CAK | CBH | CBI | NAW | 179.9° | 179.9° |
| CAK | CBH | CBI | CBJ | 179.8° | 180.0° |
| CAK | CBH | NAW | CAN | 179.5° | 180.0° |
| CBH | CAK | CAI | H18 | 179.7° | 179.9° |
| CAQ | CBI | CBH | CBJ | 179.9° | 180.0° |
| CAQ | CBI | CBH | NAW | 179.8° | 179.9° |
| CAQ | CBI | CBJ | NBL | 0.3° | 0.0° |
| CAQ | CBI | CBJ | CBG | 179.8° | 180.0° |
| CBI | CBH | NAW | CAN | 0.4° | 0.1° |
| CBH | CBI | CBJ | NBL | 179.5° | 180.0° |
| CBH | CBI | CBJ | CBG | 0.1° | 0.0° |
| CBH | CBI | CAQ | H13 | 179.3° | 180.0° |
| CBI | CBH | CAK | H17 | 179.9° | 180.0° |
| NAW | CBH | CBI | CBJ | 0.1° | 0.1° |
| CBH | NAW | CAN | CBG | 0.8° | 0.0° |
| CBH | NAW | CAN | H16 | 179.2° | 180.0° |
| NAW | CBH | CAK | H17 | 0.1° | 0.0° |
| CBI | CBJ | NBL | CBD | 2.2° | 0.0° |
| CBI | CBJ | NBL | CBG | 179.4° | 180.0° |
| CBI | CBJ | NBL | CBF | 179.5° | 179.7° |
| CBI | CBJ | CBG | CAN | 0.5° | 0.1° |
| CBI | CBJ | CBG | CAL | 179.8° | 179.9° |
| CBJ | CBI | CAQ | H13 | 0.6° | 0.0° |
| NBL | CBD | CAP | CBE | 178.8° | 180.0° |
| CBD | NBL | CBJ | CBF | 177.3° | 179.7° |
| CBD | NBL | CBJ | CBG | 178.4° | 180.0° |
| CBD | NBL | CBF | OAE | 1.9° | 0.0° |
| CBD | NBL | CBF | CAJ | 178.4° | 180.0° |
| NBL | CBD | CAP | H7 | 1.2° | 0.0° |
| NBL | CBD | CAH | H12 | 0.8° | 0.3° |
| CBD | CAP | CBE | H7 | 180.0° | 179.9° |
| CBD | CAP | CBE | NAX | 179.9° | 180.0° |
| CAP | CBD | NBL | CBJ | 129.6° | 88.2° |
| CAP | CBD | NBL | CBF | 53.0° | 91.4° |
| CAP | CBD | CAH | H12 | 176.6° | 179.8° |
| CAP | CBE | NAX | CAZ | 42.6° | 24.8° |
| CAP | CBE | NAX | H6 | 137.4° | 155.2° |
| CBE | NAX | CAZ | H6 | 180.0° | 180.0° |
| CBE | NAX | CAZ | CAT | 179.2° | 174.4° |
| CBE | NAX | CAZ | OAD | 0.3° | 5.5° |
| NAX | CBE | CAP | H7 | 0.1° | 0.0° |
| NAW | CAN | CBG | CBJ | 0.8° | 0.0° |
| NAW | CAN | CBG | H16 | 180.0° | 180.0° |
| NAW | CAN | CBG | CAL | 179.9° | 179.9° |
| NBL | CBJ | CBG | CAN | 179.9° | 180.0° |
| NBL | CBJ | CBG | CAL | 0.8° | 0.1° |
| CBJ | NBL | CBF | OAE | 179.4° | 179.7° |
| CBJ | NBL | CBF | CAJ | 0.9° | 0.3° |
| CBG | CBJ | NBL | CBF | 1.1° | 0.3° |
| CBJ | CBG | CAN | CAL | 179.3° | 179.8° |
| CBJ | CBG | CAL | CAJ | 0.3° | 0.1° |
| CBJ | CBG | CAL | H15 | 179.7° | 180.0° |
| CBJ | CBG | CAN | H16 | 179.2° | 180.0° |
| NBL | CBF | OAE | CAJ | 179.7° | 180.0° |
| NBL | CBF | CAJ | CAL | 0.4° | 0.1° |
| NBL | CBF | CAJ | H14 | 179.6° | 180.0° |
| CAN | CBG | CAL | CAJ | 179.6° | 179.7° |
| CAN | CBG | CAL | H15 | 0.4° | 0.1° |
| CBG | CAL | CAJ | CBF | 0.1° | 0.1° |
| CBG | CAL | CAJ | H15 | 180.0° | 179.9° |
| CBG | CAL | CAJ | H14 | 179.9° | 179.8° |
| CAL | CBG | CAN | H16 | 0.1° | 0.1° |
| NAX | CAZ | CAT | OAD | 179.0° | 180.0° |
| NAX | CAZ | CAT | CAR | 176.3° | 180.0° |
| NAX | CAZ | CAT | H4 | 64.1° | 60.0° |
| NAX | CAZ | CAT | H5 | 56.6° | 60.0° |
| OAE | CBF | CAJ | CAL | 180.0° | 179.9° |
| OAE | CBF | CAJ | H14 | 0.1° | 0.0° |
| CBF | CAJ | CAL | H14 | 180.0° | 179.9° |
| CBF | CAJ | CAL | H15 | 179.9° | 180.0° |
| CAZ | CAT | CAR | H4 | 119.6° | 120.0° |
| CAZ | CAT | CAR | H5 | 119.6° | 120.0° |
| CAZ | CAT | CAR | H1 | 180.0° | 180.0° |
| CAZ | CAT | CAR | H2 | 60.0° | 60.0° |
| CAZ | CAT | CAR | H3 | 60.0° | 60.1° |
| CAZ | CAT | H4 | H5 | 121.1° | 120.0° |
| CAT | CAZ | NAX | H6 | 0.7° | 5.6° |
| OAD | CAZ | CAT | CAR | 2.8° | 0.0° |
| OAD | CAZ | CAT | H4 | 116.9° | 120.0° |
| OAD | CAZ | CAT | H5 | 122.4° | 120.0° |
| OAD | CAZ | NAX | H6 | 179.7° | 174.4° |
| CAT | CAR | H1 | H2 | 120.0° | 120.0° |
| CAT | CAR | H1 | H3 | 120.0° | 120.0° |
| CAT | CAR | H2 | H3 | 120.0° | 120.0° |
| CAR | CAT | H4 | H5 | 121.0° | 120.0° |
| H1 | CAR | H2 | H3 | 120.0° | 120.0° |
| H1 | CAR | CAT | H4 | 60.3° | 60.0° |
| H1 | CAR | CAT | H5 | 60.4° | 60.0° |
| H2 | CAR | CAT | H4 | 179.6° | 60.0° |
| H2 | CAR | CAT | H5 | 59.7° | 179.9° |
| H3 | CAR | CAT | H4 | 59.7° | 179.9° |
| H3 | CAR | CAT | H5 | 179.6° | 60.0° |
| H8 | CAA | H9 | H10 | 120.0° | 120.0° |
| H11 | CAG | CAH | H12 | 2.3° | 0.4° |
| H14 | CAJ | CAL | H15 | 0.1° | 0.1° |
| H17 | CAK | CAI | H18 | 0.4° | 0.1° |
| H19 | CAM | NAV | H20 | 0.2° | 0.0° |
