Add batch 32
Browse files- 5skw__1__1.A__1.B/ligand.sdf +35 -0
- 5skw__1__1.A__1.B/receptor_holo_prot_msa.a3m +0 -0
- 5skw__1__1.A__1.B/receptor_holo_prot_system.cif +0 -0
- 5sky__1__1.A__1.G/ligand.sdf +37 -0
- 5sky__1__1.A__1.G/receptor_holo_prot_msa.a3m +0 -0
- 5sky__1__1.A__1.G/receptor_holo_prot_system.cif +0 -0
- 5skz__1__1.A__1.G/ligand.sdf +39 -0
- 5skz__1__1.A__1.G/receptor_holo_prot_msa.a3m +0 -0
- 5skz__1__1.A__1.G/receptor_holo_prot_system.cif +0 -0
- 5slo__1__1.A__1.G/ligand.sdf +44 -0
- 5slo__1__1.A__1.G/receptor_holo_prot_msa.a3m +0 -0
- 5slo__1__1.A__1.G/receptor_holo_prot_system.cif +0 -0
5skw__1__1.A__1.B/ligand.sdf
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14 15 0 0 1 0 0 0 0 0999 V2000
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60.4330 22.7260 87.5300 N 0 0 0 0 0 0 0 0 0 0 0 0
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59.0430 22.4470 85.7370 N 0 0 0 0 0 0 0 0 0 0 0 0
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57.2660 19.3830 86.9670 C 0 0 2 0 0 0 0 0 0 0 0 0
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55.0230 18.5100 87.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
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55.9630 19.6870 87.7650 C 0 0 1 0 0 0 0 0 0 0 0 0
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59.9530 24.7180 86.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
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59.8010 23.2700 86.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
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58.7350 21.3800 86.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
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57.7580 20.5060 86.1170 N 0 0 0 0 0 0 0 0 0 0 0 0
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56.1600 19.8000 89.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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$$$$
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5skw__1__1.A__1.B/receptor_holo_prot_msa.a3m
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5skw__1__1.A__1.B/receptor_holo_prot_system.cif
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5sky__1__1.A__1.G/ligand.sdf
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RDKit 3D
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15 16 0 0 0 0 0 0 0 0999 V2000
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58.9900 37.0750 97.4020 N 0 0 0 0 0 0 0 0 0 0 0 0
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60.3480 34.6400 97.7600 N 0 0 0 0 0 0 0 0 0 0 0 0
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53.7930 40.1040 97.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
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55.1980 38.7760 99.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
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61.9330 34.0790 99.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
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61.1390 33.6500 98.2350 N 0 0 0 0 0 0 0 0 0 0 0 0
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56.0750 39.2200 97.1390 N 0 0 0 0 0 0 0 0 0 0 0 0
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60.3520 38.0180 98.9370 O 0 0 0 0 0 0 0 0 0 0 0 0
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56.7470 38.0320 99.3050 S 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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$$$$
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5sky__1__1.A__1.G/receptor_holo_prot_msa.a3m
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The diff for this file is too large to render.
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5sky__1__1.A__1.G/receptor_holo_prot_system.cif
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The diff for this file is too large to render.
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5skz__1__1.A__1.G/ligand.sdf
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16 17 0 0 0 0 0 0 0 0999 V2000
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58.2670 21.0800 82.6780 N 0 0 0 0 0 0 0 0 0 0 0 0
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56.7050 18.7610 88.5660 N 0 0 0 0 0 0 0 0 0 0 0 0
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57.6530 18.9140 83.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
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56.9640 18.1630 84.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
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56.2380 18.7630 85.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
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55.5100 17.9320 86.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
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55.9410 19.5010 89.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
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56.2070 20.1490 85.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
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56.2540 17.6850 87.7710 N 0 0 0 0 0 0 0 0 0 0 0 0
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56.7050 20.4120 89.9480 N 0 0 0 0 0 0 0 0 0 0 0 0
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58.0000 20.2410 89.4470 N 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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$$$$
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5skz__1__1.A__1.G/receptor_holo_prot_msa.a3m
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The diff for this file is too large to render.
See raw diff
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5skz__1__1.A__1.G/receptor_holo_prot_system.cif
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The diff for this file is too large to render.
See raw diff
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5slo__1__1.A__1.G/ligand.sdf
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18 20 0 0 0 0 0 0 0 0999 V2000
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67.2340 2.2570 83.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
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68.3340 4.1860 83.6340 N 0 0 0 0 0 0 0 0 0 0 0 0
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72.1110 -0.1200 84.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
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70.7390 -0.5710 84.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
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70.5700 -1.4200 85.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
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69.3160 -1.8640 85.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
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68.1980 -1.4290 85.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
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67.3040 4.4650 82.7700 N 0 0 0 0 0 0 0 0 0 0 0 0
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65.1620 1.9820 81.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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$$$$
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5slo__1__1.A__1.G/receptor_holo_prot_msa.a3m
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The diff for this file is too large to render.
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5slo__1__1.A__1.G/receptor_holo_prot_system.cif
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