* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    232     441
    1     0 S   NP   _N1_     1    28.98881    93.43481   -22.52434
    2     1 S   H    _HN1     2     1.02773   100.61431   -80.44937
    3     1 S   H    _H1_     3     1.02966    90.19309    28.24892
    4     1 S   H    _H2_     4     1.02828    22.33931   167.92576
    5     1 S   CT   _CA1     5     1.50146   131.87678   146.25939
    6     5 S   HC   _HA1     6     1.09580   105.20072    67.76495
    7     5 S   CO3  _C1_     7     1.53779   112.43199   -52.29691
    8     7 S   O2Z  _O11     8     1.26351   115.01663   -42.05144
    9     7 S   O2Z  _O12     9     1.26251   114.91677   137.03742
   10     5 S   CT   _CB1    10     1.53080   107.36851  -174.43577
   11    10 S   HC   HB11    11     1.09821   109.17750   -51.43153
   12    10 S   HC   HB12    12     1.09826   110.43553    65.03922
   13    10 S   CT   _CG1    13     1.53014   112.79089  -172.65313
   14    13 S   HC   HG11    14     1.09596   110.30101   -64.79430
   15    13 S   HC   HG12    15     1.09642   110.12822    54.45262
   16    13 S   C    _CD1    16     1.51795   112.25081   174.58018
   17    16 S   O    _OE1    17     1.22738   123.22513    -7.97988
   18    16 S   N    _N2_    18     1.38674   111.74333   172.73642
   19    18 S   H    _HN2    19     1.01584   119.10549     1.40319
   20    18 S   CT1  _CA2    20     1.46060   123.21984  -179.17909
   21    20 S   HC   _HA2    21     1.09585   109.26966    -6.94667
   22    20 S   C    _C2_    22     1.53444   108.96280  -122.18250
   23    22 S   O    _O2_    23     1.23043   122.03992  -148.22452
   24    20 S   CT   _CB2    32     1.53412   111.73555   115.27901
   25    24 S   HC   HB21    33     1.09655   109.61014    63.16911
   26    24 S   HC   HB22    34     1.09568   110.82839  -179.56840
   27    22 S   N    _N3_    24     1.38451   113.56581    39.36164
   28    27 S   H    _HN3    25     1.01510   118.95047    -0.81229
   29    24 S   S    _SG2    35     1.82825   114.81486   -56.65916
   30    27 S   CT   _CA3    26     1.45442   123.43691   174.79662
   31    30 S   HC   HA31    27     1.09524   109.23064    24.85217
   32    30 S   HC   HA32    28     1.09495   107.13700   141.87086
   33    29 S   CT   _C22    36     1.82599    99.91487   -66.01291
   34    33 S   HC   _H3_    37     1.09271   107.63059   -54.32117
   35    33 S   HC   _H4_    38     1.09372   109.14452    62.59147
   36    30 S   CO3  _C3_    29     1.52927   113.07192   -98.60368
   37    36 S   O2Z  _O31    30     1.26406   115.39524   -44.76774
   38    36 S   O2Z  _O32    31     1.26352   114.98945   136.13957
   39    33 S   CT   _C17    39     1.53192   110.59834  -176.07175
   40    39 S   HC   _H37    40     1.09609   112.98666    35.84959
   41    39 S   CO4  _C9_    41     1.51604   111.48957   -85.11267
   42    41 S   O    _O21    42     1.22127   126.29082    42.34431
   43    41 S   OS   _O24    43     1.36575   110.02476  -138.70073
   44    43 S   CT   _C16    44     1.43074   109.54953    -4.40398
   45    44 S   HC   _H36    45     1.09467   107.49554   -91.64715
   46    44 S   CM   _C5_    46     1.49750   108.67437   146.28808
   47    46 S   HC   _H28    47     1.09010   113.91428   -65.99036
   48    39 S   CT   _C18    65     1.53812   112.24541   161.39640
   49    48 S   HC   _H38    66     1.10042   107.27373    37.41101
   50    46 S   CM   _C7_    48     1.34859   127.45037   124.75852
   51    50 S   CT   _C14    49     1.52968   118.67344   157.75448
   52    51 S   HC   _H33    50     1.09767   109.64532    44.53212
   53    51 S   HC   _H34    51     1.09688   109.04820   160.99818
   54    50 S   CT   _C20    78     1.50271   124.88528   -14.93084
   55    54 S   HC   _H40    79     1.09279   111.31366   107.20033
   56    54 S   HC   _H41    80     1.09301   112.81083   -14.54433
   57    54 S   HC   _H42    81     1.09545   109.79164  -132.99910
   58    51 S   CT   _C15    52     1.55599   112.53448   -77.57489
   59    58 S   HC   _H35    53     1.09439   111.05205   178.52091
   60    58 S   CM   _C4_    54     1.48535   112.78032    52.59806
   61    60 S   HC   _H27    55     1.08120   123.64256    64.62597
   62    60 S   CM   _C6_    56     1.33253   110.31272  -102.24789
   63    62 S   CO4  _C8_    57     1.47034   106.35315   -12.72873
   64    63 S   O    _O20    58     1.21850   125.62522  -175.40253
   65    62 S   CT   _C13    60     1.48387   129.62074   163.48332
   66    65 S   HC   _H31    61     1.09771   110.64049    18.67490
   67    65 S   HC   _H32    62     1.09835   108.41077   133.08472
   68    58 S   OS   _O23    59     1.43532   109.54529   -61.62726
   69    65 S   CT   _C19    63     1.55541   114.00318  -104.97725
   70    69 S   HC   _H39    64     1.09669   108.71030   -45.55999
   71    69 S   OS   _O25    67     1.45127   104.35852  -162.19081
   72    71 S   CO4  _C12    68     1.35980   118.37927   132.87197
   73    72 S   O    _O22    69     1.22212   126.16712     2.16266
   74    72 S   CM   _C11    70     1.48905   109.35199  -178.45389
   75    74 S   CM   _C10    71     1.34126   117.33157  -168.20313
   76    75 S   HC   _H29    72     1.08552   120.95536  -179.61999
   77    75 S   HC   _H30    73     1.08538   122.44559     0.62432
   78    74 S   CT   _C21    74     1.49745   120.11122    12.64829
   79    78 S   HC   _H43    75     1.09423   110.77680   -64.81338
   80    78 S   HC   _H44    76     1.09502   110.51365    55.69695
   81    78 S   HC   _H45    77     1.09536   111.85714   175.31400
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  11  13   6   5   4   2   1   1   8   5   9   4   9   6   2
   7   4   3   1   5   2   5   9   3   7   6   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    69    70    48    49    71  
   41    42    43    44    69    48    49  
   42    43    44    45    46    69    48    49  
   43    44    48  
   44    45    46    47    50    69    48    49  
   45    46    47    50    51    65    69    70    48    49    71    54  
   46    47    50    69    48    49  
   47    50    51    52    53    58    69    48    49    54    55    56    57  
   50    51    48    54  
   49    71    72    50    62    65    66    67    69    70  
   71    65    69    70  
   51    52    53    58    59    60    68    54    55    56    57  
   52    53    58    59    60    61    62    63    68    54    55    56    57  
   53    58    59    60    68    54  
   58    59    60    68    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    68    65  
   60    61    62    63    68  
   61    62    63    64    68    65    66    67    69  
   62    63    68    65  
   63    64    68    65    66    67    69    70    71  
   64    68    65    66    67    69  
   68    65  
   66    67    69    70    71    72    68  
   67    69    70    71  
   69    70    71  
    0  
   70    71    72    73    74  
   71    72  
   72    73    74    75    78  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    68   320.000  1.410
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   320.000  1.462
   62    65   317.000  1.510
   63    64   570.000  1.229
   63    68   214.000  1.327
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    48   268.000  1.529
   69    71   320.000  1.410
   48    49   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    69    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    69    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    58    70.00000  112.02700
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    70.00000  112.02700
   51    58    68    50.00000  109.50000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    35.00000  117.00000
   58    60    62    70.00000  124.00000
   58    68    63    83.00000  116.90000
   60    58    59    35.00000  109.50000
   60    62    63    65.00000  118.96000
   60    62    65    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    80.00000  123.72100
   62    63    68    90.00000  111.29400
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    69    70.00000  112.02700
   68    58    59    35.00000  109.50000
   68    58    60    85.00000  110.90400
   68    63    64    83.00000  123.40000
   65    62    63    65.00000  116.34900
   65    69    70    37.50000  110.70000
   65    69    48    58.35000  112.70000
   65    69    71    50.00000  109.50000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    48    49    37.50000  110.70000
   69    71    72    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    69    70    37.50000  110.70000
   71    69    70    35.00000  109.50000
   71    69    48    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   54    50    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    69   0.56750  1.0 1.0
   33    39    48    69  -0.07550 -1.0 2.0
   33    39    48    69   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    69   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    69  -0.95700  1.0 1.0
   41    39    48    69  -0.18200 -1.0 2.0
   41    39    48    69   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    69   0.62750  1.0 1.0
   43    44    48    69  -0.30950 -1.0 2.0
   43    44    48    69   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    69   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    69   0.34400  1.0 1.0
   46    44    48    69   0.09450 -1.0 2.0
   46    44    48    69   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    58   0.09850  1.0 1.0
   46    50    51    58   0.15250 -1.0 2.0
   46    50    51    58  -0.50650  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    58    59   0.15000  1.0 3.0
   50    51    58    60   0.31000  1.0 1.0
   50    51    58    60   0.14700 -1.0 2.0
   50    51    58    60   0.07550  1.0 3.0
   50    51    58    68   0.61850  1.0 1.0
   50    51    58    68  -0.22750 -1.0 2.0
   50    51    58    68   0.15300  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    50    54    57   0.34800  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.09850  1.0 1.0
   51    58    60    62   0.15250 -1.0 2.0
   51    58    60    62  -0.50650  1.0 3.0
   51    58    68    63  -0.25900  1.0 1.0
   51    58    68    63  -0.47000 -1.0 2.0
   51    58    68    63   0.11750  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    68   0.23400  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    68   0.23400  1.0 3.0
   58    60   -62    63   7.00000 -1.0 2.0
   58    60    62    65   7.00000 -1.0 2.0
   59    58    60    61   0.33100  1.0 3.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    68    63   0.08050  1.0 3.0
   60    58   -68    63  -0.82050  1.0 1.0
   60    58   -68    63   0.00600 -1.0 2.0
   60    58   -68    63   0.04400  1.0 3.0
   60    62    63    64   1.00000 -1.0 2.0
   60    62   -63    68  -0.56150  1.0 1.0
   60    62   -63    68   2.19150 -1.0 2.0
   60    62    65    66   0.00000  1.0 1.0
   60    62    65    67   0.00000  1.0 1.0
   60    62    65    69   0.09850  1.0 1.0
   60    62    65    69   0.15250 -1.0 2.0
   60    62    65    69  -0.50650  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    65   7.00000 -1.0 2.0
   62    63   -68    58   2.00000 -1.0 2.0
   62    65    69    70   0.15000  1.0 3.0
   62    65    69    48   0.34400  1.0 1.0
   62    65    69    48   0.09450 -1.0 2.0
   62    65    69    48   0.11100  1.0 3.0
   62    65    69    71   0.61850  1.0 1.0
   62    65    69    71  -0.22750 -1.0 2.0
   62    65    69    71   0.15300  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    69   0.09700  1.0 1.0
   63    62    65    69   0.15600 -1.0 2.0
   63    62    65    69  -0.50800  1.0 3.0
   64    63    68    58   3.00000 -1.0 2.0
   68    58    60    61   0.00000  1.0 1.0
   68    58   -60    62   0.39000  1.0 1.0
   68    58   -60    62  -0.05800 -1.0 2.0
   68    58   -60    62  -0.55150  1.0 3.0
   65    62    63    64  -0.64400  1.0 1.0
   65    62    63    64   0.26850 -1.0 2.0
   65    62    63    68  -0.15000  1.0 1.0
   65    62    63    68   0.89550 -1.0 2.0
   65    62    63    68  -0.06900  1.0 3.0
   65    69    48    39   0.56750  1.0 1.0
   65    69    48    39  -0.07550 -1.0 2.0
   65    69    48    39   0.20000  1.0 3.0
   65    69    48    44   0.56750  1.0 1.0
   65    69    48    44  -0.07550 -1.0 2.0
   65    69    48    44   0.20000  1.0 3.0
   65    69    48    49   0.15000  1.0 3.0
   65    69    71    72  -0.25900  1.0 1.0
   65    69    71    72  -0.47000 -1.0 2.0
   65    69    71    72   0.11750  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    48   0.15000  1.0 3.0
   66    65    69    71   0.23400  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    48   0.15000  1.0 3.0
   67    65    69    71   0.23400  1.0 3.0
   69    71    72    73   3.00000 -1.0 2.0
   69    71    72    74   2.00000 -1.0 2.0
   70    69    48    39   0.15000  1.0 3.0
   70    69    48    44   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   70    69    71    72   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    69    71    72  -0.25900  1.0 1.0
   48    69    71    72  -0.47000 -1.0 2.0
   48    69    71    72   0.11750  1.0 3.0
   71    69    48    39   0.62750  1.0 1.0
   71    69    48    39  -0.30950 -1.0 2.0
   71    69    48    39   0.27300  1.0 3.0
   71    69    48    44   0.62750  1.0 1.0
   71    69    48    44  -0.30950 -1.0 2.0
   71    69    48    44   0.27300  1.0 3.0
   71    69    48    49   0.23400  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    78  -0.15000  1.0 1.0
   71    72    74    78   0.89550 -1.0 2.0
   71    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    58   0.46850  1.0 1.0
   54    50    51    58   0.08550 -1.0 2.0
   54    50    51    58   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   58    61    60    62   1.10000 -1.0 2.0
   63    65    62    60   1.10000 -1.0 2.0
   62    68    63    64  10.50000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
