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youjibiying commited on
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Delete ligand.mol2

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  1. ligand.mol2 +0 -110
ligand.mol2 DELETED
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- # Name: 1clu_ligand_GppNHP_199_dock1.mol2
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- # Creating user name: LHS-PC
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- # Creation time: Thu Sep 17 22:03:58 2020
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-
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- # Modifying user name: LHS-PC
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- # Modification time: Thu Sep 17 22:04:23 2020
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-
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- @<TRIPOS>MOLECULE
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- 1clu_ligand_GppNHP_199_dock1.mol2
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- 45 47 1 0 0
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- SMALL
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- USER_CHARGES
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- INVALID_CHARGES
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-
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- @<TRIPOS>ATOM
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- 1 O1 26.1740 44.1160 34.5040 O.co2 1 MOL -0.6667
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- 2 P2 27.3800 44.2130 35.3370 P.3 1 MOL 0.0000
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- 3 O3 27.1550 43.3140 36.4690 O.co2 1 MOL -0.6667
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- 4 O4 27.2320 45.5940 35.8030 O.co2 1 MOL -0.6667
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- 5 N5 28.6310 43.9820 34.3880 N.am 1 MOL 0.0000
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- 6 P6 30.0600 43.8680 35.1130 P.3 1 MOL 0.0000
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- 7 O7 30.4060 44.4790 36.4120 O.co2 1 MOL -0.5000
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- 8 O8 30.3010 42.4590 35.4840 O.co2 1 MOL -0.5000
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- 9 O9 31.0240 44.2300 33.9800 O.3 1 MOL 0.0000
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- 10 P10 31.2520 45.7190 33.6630 P.3 1 MOL 0.0000
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- 11 O11 31.9570 45.7860 32.3700 O.co2 1 MOL -0.5000
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- 12 O12 30.0040 46.4910 33.4770 O.co2 1 MOL -0.5000
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- 13 O13 32.1660 46.2190 34.8650 O.3 1 MOL 0.0000
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- 14 C14 32.9770 47.4000 34.6890 C.3 1 MOL 0.0000
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- 15 C15 33.3290 47.9120 36.0960 C.3 1 MOL 0.0000
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- 16 O16 34.1070 46.8990 36.7960 O.3 1 MOL 0.0000
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- 17 C17 35.6410 48.7000 36.2500 C.3 1 MOL 0.0000
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- 18 O18 36.4320 49.6020 37.0670 O.3 1 MOL 0.0000
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- 19 C19 34.1810 49.1960 36.0700 C.3 1 MOL 0.0000
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- 20 O20 33.7780 50.0060 37.1880 O.3 1 MOL 0.0000
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- 21 C21 35.4960 47.3150 36.9230 C.3 1 MOL 0.0000
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- 22 N22 36.3540 46.2670 36.3970 N.pl3 1 MOL 0.0000
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- 23 C23 37.5480 45.8570 36.9070 C.2 1 MOL 0.0000
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- 24 N24 38.2380 46.3260 38.0180 N.2 1 MOL 0.0000
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- 25 C25 39.3600 45.6520 38.2240 C.2 1 MOL 0.0000
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- 26 N26 40.0340 45.9380 39.2940 N.pl3 1 MOL 0.0000
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- 27 N27 39.8690 44.6570 37.5290 N.am 1 MOL 0.0000
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- 28 C28 39.2520 44.1300 36.4980 C.2 1 MOL 0.0000
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- 29 O29 39.7550 43.1780 35.9480 O.2 1 MOL 0.0000
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- 30 C30 37.9770 44.7890 36.1770 C.2 1 MOL 0.0000
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- 31 N31 37.0280 44.4860 35.2060 N.2 1 MOL 0.0000
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- 32 C32 36.0650 45.4120 35.3620 C.2 1 MOL 0.0000
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- 33 H35 28.6700 44.6720 33.6510 H 1 MOL 0.0000
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- 34 H38 32.4020 48.1630 34.1530 H 1 MOL 0.0000
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- 35 H39 33.8690 47.1550 34.1080 H 1 MOL 0.0000
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- 36 H40 32.4020 48.1080 36.6420 H 1 MOL 0.0000
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- 37 H41 36.1160 48.5810 35.2740 H 1 MOL 0.0000
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- 38 H42 35.8020 49.9090 37.7890 H 1 MOL 0.0000
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- 39 H43 34.0440 49.7620 35.1470 H 1 MOL 0.0000
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- 40 H44 33.4520 50.8700 36.7670 H 1 MOL 0.0000
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- 41 H45 35.7330 47.3980 37.9880 H 1 MOL 0.0000
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- 42 H46 41.0170 45.6490 39.3080 H 1 MOL 0.0000
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- 43 H47 39.7770 46.7960 39.7490 H 1 MOL 0.0000
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- 44 H48 40.7370 44.2450 37.8350 H 1 MOL 0.0000
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- 45 H49 35.1570 45.4930 34.7800 H 1 MOL 0.0000
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- @<TRIPOS>BOND
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- 1 2 1 ar
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- 2 2 3 ar
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- 3 2 4 ar
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- 4 5 2 am
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- 5 6 5 am
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- 6 5 33 1
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- 7 6 7 ar
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- 8 6 8 ar
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- 9 9 6 1
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- 10 10 9 1
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- 11 10 11 ar
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- 12 10 12 ar
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- 13 13 10 1
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- 14 14 13 1
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- 15 15 14 1
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- 16 14 34 1
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- 17 14 35 1
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- 18 15 16 1
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- 19 19 15 1
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- 20 15 36 1
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- 21 16 21 1
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- 22 17 18 1
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- 23 17 19 1
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- 24 17 21 1
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- 25 17 37 1
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- 26 18 38 1
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- 27 19 20 1
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- 28 19 39 1
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- 29 20 40 1
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- 30 21 22 1
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- 31 21 41 1
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- 32 22 23 1
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- 33 22 32 1
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- 34 23 24 1
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- 35 23 30 2
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- 36 24 25 2
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- 37 25 26 1
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- 38 25 27 1
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- 39 26 42 1
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- 40 26 43 1
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- 41 27 28 am
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- 42 27 44 1
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- 43 28 29 2
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- 44 28 30 1
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- 45 30 31 1
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- 46 31 32 2
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- 47 32 45 1
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- @<TRIPOS>SUBSTRUCTURE
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- 1 MOL 16 GROUP 4 A **** 0 ROOT