LDK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAT | doub | 1.21Å | 1.25Å | |
| OAH | CAR | doub | 1.21Å | 1.25Å | |
| OAJ | CAT | sing | 1.34Å | 1.26Å | |
| CAR | OAB | sing | 1.34Å | 1.22Å | |
| CAR | CAL | sing | 1.51Å | 1.54Å | |
| CAT | CAV | sing | 1.51Å | 1.54Å | |
| CAL | CAN | sing | 1.53Å | 1.55Å | |
| CAN | CAV | sing | 1.53Å | 1.56Å | |
| CAV | NAP | sing | 1.47Å | 1.49Å | |
| OAF | SAW | doub | 1.42Å | 1.54Å | |
| NAP | SAW | sing | 1.66Å | 1.69Å | |
| OE1 | CD | doub | 1.21Å | 1.26Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CG | CD | sing | 1.51Å | 1.55Å | |
| N | SAW | sing | 1.66Å | 1.73Å | |
| N | CA | sing | 1.46Å | 1.49Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CD | OE2 | sing | 1.34Å | 1.26Å | |
| SAW | OAE | doub | 1.42Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| OE2 | H1 | sing | 0.97Å | 0.95Å | |
| CG | H2 | sing | 1.09Å | 1.10Å | |
| CG | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| OXT | H7 | sing | 0.97Å | 0.95Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| NAP | H9 | sing | 0.97Å | 1.00Å | |
| CAV | H10 | sing | 1.09Å | 1.10Å | |
| OAJ | H11 | sing | 0.97Å | 0.95Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.09Å | 1.10Å | |
| OAB | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAT | OAJ | 125.7° | 120.0° |
| OAD | CAT | CAV | 116.1° | 120.0° |
| OAH | CAR | OAB | 123.3° | 120.0° |
| OAH | CAR | CAL | 120.3° | 120.0° |
| OAJ | CAT | CAV | 118.1° | 120.0° |
| CAT | OAJ | H11 | 109.5° | 117.0° |
| OAB | CAR | CAL | 116.3° | 120.0° |
| CAR | OAB | H16 | 109.5° | 117.0° |
| CAR | CAL | CAN | 111.0° | 109.5° |
| CAR | CAL | H14 | 109.1° | 109.5° |
| CAR | CAL | H15 | 109.1° | 109.4° |
| CAT | CAV | CAN | 108.0° | 109.5° |
| CAT | CAV | NAP | 112.0° | 109.5° |
| CAT | CAV | H10 | 109.1° | 109.5° |
| CAL | CAN | CAV | 108.7° | 109.5° |
| CAL | CAN | H12 | 109.7° | 109.5° |
| CAL | CAN | H13 | 109.6° | 109.5° |
| CAN | CAL | H14 | 109.1° | 109.5° |
| CAN | CAL | H15 | 109.1° | 109.5° |
| CAN | CAV | NAP | 109.2° | 109.5° |
| CAN | CAV | H10 | 108.7° | 109.4° |
| CAV | CAN | H12 | 109.7° | 109.4° |
| CAV | CAN | H13 | 109.7° | 109.5° |
| CAV | NAP | SAW | 120.4° | 120.0° |
| CAV | NAP | H9 | 106.6° | 120.0° |
| NAP | CAV | H10 | 109.7° | 109.5° |
| OAF | SAW | NAP | 101.1° | 106.4° |
| OAF | SAW | N | 117.0° | 106.4° |
| OAF | SAW | OAE | 110.9° | 123.2° |
| NAP | SAW | N | 106.9° | 107.2° |
| NAP | SAW | OAE | 114.5° | 106.4° |
| SAW | NAP | H9 | 106.7° | 120.0° |
| OE1 | CD | CG | 117.8° | 120.1° |
| OE1 | CD | OE2 | 125.5° | 119.9° |
| CB | CG | CD | 111.1° | 109.5° |
| CG | CB | CA | 111.0° | 109.5° |
| CB | CG | H2 | 109.0° | 109.5° |
| CB | CG | H3 | 109.0° | 109.4° |
| CG | CB | H4 | 109.1° | 109.5° |
| CG | CB | H5 | 109.1° | 109.5° |
| CG | CD | OE2 | 116.8° | 120.0° |
| CD | CG | H2 | 109.1° | 109.5° |
| CD | CG | H3 | 109.1° | 109.5° |
| SAW | N | CA | 121.8° | 120.0° |
| N | SAW | OAE | 106.6° | 106.4° |
| SAW | N | H8 | 106.3° | 120.0° |
| N | CA | CB | 109.8° | 109.5° |
| N | CA | C | 114.9° | 109.5° |
| N | CA | H6 | 108.3° | 109.5° |
| CA | N | H8 | 106.3° | 120.0° |
| CB | CA | C | 108.5° | 109.5° |
| CA | CB | H4 | 109.1° | 109.5° |
| CA | CB | H5 | 109.1° | 109.5° |
| CB | CA | H6 | 107.7° | 109.5° |
| CD | OE2 | H1 | 109.5° | 117.0° |
| CA | C | O | 119.7° | 120.0° |
| CA | C | OXT | 115.5° | 120.0° |
| C | CA | H6 | 107.5° | 109.4° |
| O | C | OXT | 124.7° | 120.0° |
| C | OXT | H7 | 109.5° | 117.0° |
| H2 | CG | H3 | 109.5° | 109.5° |
| H4 | CB | H5 | 109.5° | 109.4° |
| H12 | CAN | H13 | 109.5° | 109.5° |
| H14 | CAL | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAT | OAJ | CAV | 175.7° | 179.9° |
| OAD | CAT | CAV | CAN | 74.1° | 91.0° |
| OAD | CAT | CAV | NAP | 165.6° | 29.0° |
| OAD | CAT | CAV | H10 | 43.9° | 149.1° |
| OAD | CAT | OAJ | H11 | 0.0° | 0.1° |
| OAH | CAR | OAB | CAL | 176.7° | 180.0° |
| OAH | CAR | CAL | CAN | 39.6° | 0.0° |
| OAH | CAR | CAL | H14 | 80.6° | 120.1° |
| OAH | CAR | CAL | H15 | 159.9° | 120.0° |
| OAH | CAR | OAB | H16 | 0.0° | 0.0° |
| OAJ | CAT | CAV | CAN | 102.0° | 89.1° |
| OAJ | CAT | CAV | NAP | 18.3° | 150.9° |
| OAJ | CAT | CAV | H10 | 139.9° | 30.8° |
| OAB | CAR | CAL | CAN | 143.5° | 180.0° |
| OAB | CAR | CAL | H14 | 96.2° | 60.0° |
| OAB | CAR | CAL | H15 | 23.3° | 60.0° |
| CAR | CAL | CAN | H14 | 120.2° | 120.0° |
| CAR | CAL | CAN | H15 | 120.2° | 120.0° |
| CAR | CAL | CAN | CAV | 175.3° | 180.0° |
| CAR | CAL | CAN | H12 | 64.8° | 60.0° |
| CAR | CAL | CAN | H13 | 55.5° | 60.0° |
| CAR | CAL | H14 | H15 | 119.3° | 120.0° |
| CAL | CAR | OAB | H16 | 176.7° | 180.0° |
| CAT | CAV | CAN | CAL | 60.0° | 175.0° |
| CAT | CAV | CAN | NAP | 122.0° | 120.0° |
| CAT | CAV | CAN | H10 | 118.3° | 120.0° |
| CAT | CAV | NAP | H10 | 121.3° | 120.1° |
| CAT | CAV | NAP | SAW | 59.5° | 122.1° |
| CAT | CAV | NAP | H9 | 62.0° | 57.9° |
| CAV | CAT | OAJ | H11 | 175.8° | 180.0° |
| CAT | CAV | CAN | H12 | 179.8° | 65.0° |
| CAT | CAV | CAN | H13 | 59.9° | 55.0° |
| CAL | CAN | CAV | H12 | 119.9° | 120.0° |
| CAL | CAN | CAV | H13 | 119.8° | 120.0° |
| CAL | CAN | CAV | NAP | 62.0° | 65.0° |
| CAL | CAN | CAV | H10 | 178.2° | 55.0° |
| CAL | CAN | H12 | H13 | 120.3° | 120.0° |
| CAN | CAL | H14 | H15 | 119.3° | 120.0° |
| CAN | CAV | NAP | H10 | 119.1° | 120.0° |
| CAN | CAV | NAP | SAW | 179.1° | 117.9° |
| CAN | CAV | NAP | H9 | 57.5° | 62.1° |
| CAV | CAN | H12 | H13 | 120.4° | 120.0° |
| CAV | CAN | CAL | H14 | 55.1° | 60.0° |
| CAV | CAN | CAL | H15 | 64.4° | 60.0° |
| CAV | NAP | SAW | OAF | 7.7° | 175.3° |
| CAV | NAP | SAW | H9 | 121.5° | 180.0° |
| CAV | NAP | SAW | N | 115.2° | 71.1° |
| CAV | NAP | SAW | OAE | 127.0° | 42.4° |
| NAP | CAV | CAN | H12 | 57.8° | 55.0° |
| NAP | CAV | CAN | H13 | 178.1° | 175.0° |
| OAF | SAW | NAP | N | 122.9° | 113.5° |
| OAF | SAW | NAP | OAE | 119.2° | 132.9° |
| OAF | SAW | N | OAE | 124.8° | 132.9° |
| OAF | SAW | N | CA | 91.8° | 174.9° |
| OAF | SAW | N | H8 | 29.9° | 5.0° |
| OAF | SAW | NAP | H9 | 129.2° | 4.7° |
| NAP | SAW | N | OAE | 122.9° | 113.5° |
| NAP | SAW | N | CA | 155.8° | 61.4° |
| NAP | SAW | N | H8 | 82.4° | 118.5° |
| SAW | NAP | CAV | H10 | 61.8° | 2.0° |
| OE1 | CD | CG | CB | 49.6° | 0.0° |
| OE1 | CD | CG | OE2 | 179.3° | 179.6° |
| OE1 | CD | OE2 | H1 | 0.0° | 0.1° |
| OE1 | CD | CG | H2 | 169.8° | 120.0° |
| OE1 | CD | CG | H3 | 70.6° | 119.9° |
| CB | CG | CD | H2 | 120.2° | 120.0° |
| CB | CG | CD | H3 | 120.2° | 120.0° |
| CG | CB | CA | N | 127.5° | 65.6° |
| CG | CB | CA | H4 | 120.2° | 120.0° |
| CG | CB | CA | H5 | 120.2° | 120.0° |
| CB | CG | CD | OE2 | 131.1° | 179.7° |
| CG | CB | CA | C | 106.2° | 174.4° |
| CB | CG | H2 | H3 | 119.2° | 120.0° |
| CG | CB | H4 | H5 | 119.3° | 120.0° |
| CG | CB | CA | H6 | 9.8° | 54.4° |
| CD | CG | CB | CA | 142.1° | 175.9° |
| CG | CD | OE2 | H1 | 179.2° | 179.8° |
| CD | CG | H2 | H3 | 119.3° | 120.0° |
| CD | CG | CB | H4 | 21.9° | 64.1° |
| CD | CG | CB | H5 | 97.6° | 55.9° |
| SAW | N | CA | H8 | 121.7° | 179.9° |
| SAW | N | CA | CB | 176.6° | 157.6° |
| SAW | N | CA | C | 60.8° | 82.4° |
| SAW | N | CA | H6 | 59.3° | 37.6° |
| N | SAW | NAP | H9 | 6.4° | 108.9° |
| N | CA | CB | C | 126.3° | 120.0° |
| N | CA | CB | H6 | 117.7° | 120.0° |
| CA | N | SAW | OAE | 33.0° | 52.1° |
| N | CA | C | H6 | 120.6° | 120.0° |
| N | CA | C | O | 53.0° | 19.4° |
| N | CA | C | OXT | 129.8° | 160.6° |
| N | CA | CB | H4 | 112.3° | 174.4° |
| N | CA | CB | H5 | 7.2° | 54.4° |
| CB | CA | C | H6 | 116.1° | 120.0° |
| CB | CA | C | O | 70.2° | 100.6° |
| CB | CA | C | OXT | 106.9° | 79.4° |
| CA | CB | CG | H2 | 21.9° | 55.9° |
| CA | CB | CG | H3 | 97.6° | 64.1° |
| CA | CB | H4 | H5 | 119.3° | 120.0° |
| CB | CA | N | H8 | 54.9° | 22.3° |
| OE2 | CD | CG | H2 | 10.9° | 60.4° |
| OE2 | CD | CG | H3 | 108.6° | 59.7° |
| OAE | SAW | N | H8 | 154.7° | 127.9° |
| OAE | SAW | NAP | H9 | 111.5° | 137.6° |
| CA | C | O | OXT | 176.9° | 180.0° |
| C | CA | CB | H4 | 14.0° | 54.3° |
| C | CA | CB | H5 | 133.6° | 65.6° |
| CA | C | OXT | H7 | 177.0° | 180.0° |
| C | CA | N | H8 | 177.5° | 97.7° |
| O | C | CA | H6 | 173.7° | 139.4° |
| O | C | OXT | H7 | 0.0° | 0.1° |
| OXT | C | CA | H6 | 9.2° | 40.6° |
| H2 | CG | CB | H4 | 98.3° | 175.9° |
| H2 | CG | CB | H5 | 142.1° | 64.1° |
| H3 | CG | CB | H4 | 142.2° | 55.9° |
| H3 | CG | CB | H5 | 22.6° | 175.9° |
| H4 | CB | CA | H6 | 130.0° | 65.6° |
| H5 | CB | CA | H6 | 110.4° | 174.4° |
| H6 | CA | N | H8 | 62.4° | 142.3° |
| H9 | NAP | CAV | H10 | 176.6° | 178.0° |
| H10 | CAV | CAN | H12 | 61.9° | 175.0° |
| H10 | CAV | CAN | H13 | 58.4° | 65.0° |
| H12 | CAN | CAL | H14 | 175.0° | 180.0° |
| H12 | CAN | CAL | H15 | 55.5° | 59.9° |
| H13 | CAN | CAL | H14 | 64.8° | 60.0° |
| H13 | CAN | CAL | H15 | 175.7° | 180.0° |
