* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    155    232     445
    1     0 S   NP   _N1_     1    28.81083    96.64333   -21.94531
    2     1 S   H    _HN1     2     1.02924    39.33461   148.48802
    3     1 S   H    _H1_     3     1.02801    94.08811   -98.33995
    4     1 S   H    _H2_     4     1.02880    77.37155     9.32363
    5     1 S   CT   _CA1     5     1.50345   146.89925   118.81104
    6     5 S   HC   _HA1     6     1.09695   104.76132    81.64325
    7     5 S   CO3  _C1_     7     1.54310   110.90281   -34.97122
    8     7 S   O2Z  _O11     8     1.26072   116.43733  -102.34088
    9     7 S   O2Z  _O12     9     1.26486   113.94965    76.21356
   10     5 S   CT   _CB1    10     1.53119   107.10890  -162.50189
   11    10 S   HC   HB11    11     1.09829   109.71151   -48.09687
   12    10 S   HC   HB12    12     1.09781   110.40787    68.56848
   13    10 S   CT   _CG1    13     1.52967   112.18285  -168.82148
   14    13 S   HC   HG11    14     1.09355   110.33423   -59.90556
   15    13 S   HC   HG12    15     1.09643   110.07287    59.21184
   16    13 S   C    _CD1    16     1.51673   112.47318   179.93744
   17    16 S   O    _OE1    17     1.22723   123.21351    -3.07294
   18    16 S   N    _N2_    18     1.38658   111.66426   177.06415
   19    18 S   H    _HN2    19     1.01588   119.12112     2.52127
   20    18 S   CT1  _CA2    20     1.46205   123.28981  -178.38602
   21    20 S   HC   _HA2    21     1.09708   109.36351     0.97959
   22    20 S   C    _C2_    22     1.53503   108.66692  -115.08263
   23    22 S   O    _O2_    23     1.23057   122.10036  -146.15874
   24    20 S   CT   _CB2    32     1.53419   111.61764   122.76368
   25    24 S   HC   HB21    33     1.09386   109.34766    62.77761
   26    24 S   HC   HB22    34     1.09508   109.99087  -179.09302
   27    22 S   N    _N3_    24     1.38449   113.71088    40.97847
   28    27 S   H    _HN3    25     1.01479   119.00542    -0.19077
   29    24 S   S    _SG2    35     1.82923   111.93354   -58.66974
   30    27 S   CT   _CA3    26     1.45442   123.43611   175.72639
   31    30 S   HC   HA31    27     1.09524   109.27083    24.28129
   32    30 S   HC   HA32    28     1.09499   107.11798   141.24041
   33    29 S   CT   _C19    36     1.89480    99.86618   168.08847
   34    30 S   CO3  _C3_    29     1.52900   113.03713   -99.24933
   35    34 S   O2Z  _O31    30     1.26409   115.34870   -46.76176
   36    34 S   O2Z  _O32    31     1.26350   115.02833   134.16717
   37    33 S   CM   _C11    37     1.50719   105.83542    72.46000
   38    37 S   HC   _H32    38     1.08618   118.76529   -95.68281
   39    33 S   OS   _O23    68     1.43301   108.91955   -53.11497
   40    37 S   CMA  _C13    39     1.35871   120.22079    85.29900
   41    40 S   OM   _O22    40     1.25962   129.57052   178.16378
   42    40 S   CM   _C12    41     1.50613   117.11237    -1.53646
   43    42 S   CM   _C10    42     1.35854   119.17676    25.10750
   44    43 S   HC   _H31    43     1.08459   121.75525   178.75620
   45    42 S   CT   _C24    78     1.52068   121.70962  -154.54969
   46    45 S   HC   _H50    79     1.09850   109.91293  -166.39794
   47    45 S   HC   _H51    80     1.09693   110.88999   -51.10925
   48    33 S   CT   _C18    44     1.55758   116.59335  -167.92383
   49    45 S   CM   _C15    81     1.50421   112.18659    74.54595
   50    49 S   HC   _H35    82     1.08729   117.28787    60.09351
   51    48 S   CT   _C17    45     1.53646    98.63593    68.89520
   52    51 S   HC   _H37    46     1.09686   109.22820   -75.06161
   53    48 S   OS   _O26    73     1.45937   107.55544  -179.64890
   54    49 S   CM   _C14    83     1.33810   124.05626  -120.48823
   55    54 S   HC   _H33    84     1.08437   120.52822  -179.89165
   56    54 S   HC   _H34    85     1.08456   121.41751     0.67897
   57    51 S   CT   _C16    47     1.56369   100.64399    42.03361
   58    57 S   HC   _H36    48     1.09770   110.10100    92.09390
   59    51 S   CT   _C20    69     1.52592   116.19603   163.84155
   60    59 S   HC   _H38    70     1.09430   112.13666   -62.61612
   61    59 S   HC   _H39    71     1.09380   111.17931   177.90819
   62    59 S   HC   _H40    72     1.09456   110.62092    58.69714
   63    53 S   CT   _C23    74     1.42143   117.59403   154.85449
   64    63 S   HC   _H47    75     1.09363   107.89703   163.26673
   65    63 S   HC   _H48    76     1.09223   112.49040    43.73099
   66    63 S   HC   _H49    77     1.09374   110.29035   -79.46901
   67    57 S   CA   _C7_    49     1.51968   118.00385  -144.43187
   68    67 S   CA   _C4_    50     1.39779   123.05321   -21.41379
   69    68 S   HA   _H28    51     1.08549   121.40985     1.23226
   70    68 S   CA   _C5_    52     1.39928   121.14277  -178.87308
   71    70 S   HA   _H29    53     1.08613   117.45245   180.00000
   72    70 S   CA   _C8_    54     1.39626   120.63512    -0.69069
   73    72 S   CA   _C9_    55     1.40377   119.20475     0.79623
   74    72 S   OS   _O24    63     1.37246   124.75651  -179.00083
   75    67 S   CA   _C6_    56     1.40778   119.17357   160.73076
   76    75 S   HA   _H30    57     1.08692   118.07379     0.14671
   77    73 S   OS   _O25    58     1.37354   116.04513  -179.69290
   78    74 S   CT   _C21    64     1.42219   117.25755     2.35110
   79    78 S   HC   _H41    65     1.09424   107.74302   179.49294
   80    78 S   HC   _H42    66     1.09402   110.96423    61.91112
   81    78 S   HC   _H43    67     1.09480   111.24317   -62.73546
   82    77 S   CT   _C22    59     1.42285   117.02169   167.45532
   83    82 S   HC   _H44    60     1.09428   107.71766  -172.30099
   84    82 S   HC   _H45    61     1.09464   110.90359    70.14839
   85    82 S   HC   _H46    62     1.09540   111.41908   -54.45828
  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  10   5   4   3
  17   2   1   1  11   5  12   9   3  11  12   4   8   4   3  14
   4   3  12   8   6   2   1   1  12   4   4   2   1   1   3   2
   1   1   9   8   4   7   3  10   9   6   3   1   4   3   2   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    43    48    51    57    39    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    42    43    44    48    51    52    57    58    67    39    59    53    63  
   35    36  
   36  
    0  
   38    40    41    42    43    48    51    57    39    53    45  
   40    41    42    48    39  
   59    53    40    43    48    51    52    57    58    67    68    75  
   41    42    43    44    48    45    46    47    49  
   42    43    45  
   43    44    48    51    53    45    46    47    49    50    54  
   44    48    51    52    57    59    53    63    45    46    47    49  
   48    51    53    45  
   46    47    49    50    54    55    56    48  
   47    49    50    54  
   49    50    54  
   51    52    57    58    67    59    60    61    62    53    63    64    65    66  
   50    54    55    56  
   54    55    56  
   52    57    58    67    68    75    59    60    61    62    53    63  
   57    58    67    59    60    61    62    53  
   63    64    65    66    57    59  
   55    56  
   56  
    0  
   58    67    68    69    70    73    75    76    59    60    61    62  
   67    68    75    59  
   60    61    62    67  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    75    76    77  
   69    70    71    72    73    75    76    74  
   70    71    72    75  
   71    72    73    75    77    74    78  
   72    73    74  
   73    75    76    77    82    74    78    79    80    81  
   75    76    77    82    83    84    85    74    78  
   78    79    80    81    75    77  
   76    77    82  
   77  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    48   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    45   317.000  1.510
   43    44   340.000  1.080
   43    48   317.000  1.510
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   268.000  1.529
   57    58   340.000  1.090
   57    67   317.000  1.510
   57    39   320.000  1.410
   67    68   469.000  1.400
   67    75   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    77   450.000  1.364
   75    76   367.000  1.080
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   74    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   317.000  1.510
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    56   340.000  1.080
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    48    43    70.00000  112.02700
   33    48    51    58.35000  112.70000
   33    48    53    50.00000  109.50000
   33    39    57    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    42    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    45    70.00000  124.00000
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  120.00000
   42    43    48    70.00000  124.00000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    49    70.00000  110.12100
   43    48    51    70.00000  112.02700
   43    48    53    85.00000  110.90400
   48    33    37    70.00000  112.02700
   48    43    44    35.00000  117.00000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    51    59    58.35000  112.70000
   48    53    63    60.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    67    70.00000  112.17500
   51    57    39    50.00000  109.50000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   57    51    52    37.50000  110.70000
   57    67    68    70.00000  120.00000
   57    67    75    70.00000  120.00000
   67    57    58    35.00000  109.50000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    75    73    63.00000  120.00000
   67    75    76    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    77    70.00000  120.00000
   72    74    78    75.00000  111.00000
   73    75    76    35.00000  120.00000
   73    77    82    75.00000  111.00000
   75    67    68    63.00000  120.00000
   77    73    75    70.00000  120.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   74    72    73    70.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    48    50.00000  109.50000
   39    57    58    35.00000  109.50000
   39    57    67    85.00000  111.85700
   59    51    52    37.50000  110.70000
   59    51    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   53    48    51    50.00000  109.50000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    42    43    70.00000  124.00000
   45    49    50    35.00000  117.00000
   45    49    54    70.00000  124.00000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   54    49    50    35.00000  120.00000
   56    54    55    35.00000  117.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   29    33    39    57   0.14700  1.0 1.0
   29    33    39    57  -1.16150 -1.0 2.0
   29    33    39    57   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48   -51    57   0.56750  1.0 1.0
   33    48   -51    57  -0.07550 -1.0 2.0
   33    48   -51    57   0.20000  1.0 3.0
   33    48    51    59   0.56750  1.0 1.0
   33    48    51    59  -0.07550 -1.0 2.0
   33    48    51    59   0.20000  1.0 3.0
   33    48    53    63   0.06250  1.0 1.0
   33    48    53    63  -0.01100 -1.0 2.0
   33    48    53    63   0.28050  1.0 3.0
   37    33    48    43   0.31000  1.0 1.0
   37    33    48    43   0.14700 -1.0 2.0
   37    33    48    43   0.07550  1.0 3.0
   37    33    48    51   0.34400  1.0 1.0
   37    33    48    51   0.09450 -1.0 2.0
   37    33    48    51   0.11100  1.0 3.0
   37    33    48    53   0.61850  1.0 1.0
   37    33    48    53  -0.22750 -1.0 2.0
   37    33    48    53   0.15300  1.0 3.0
   37    33    39    57  -0.77900  1.0 1.0
   37    33    39    57  -0.36900 -1.0 2.0
   37    33    39    57   0.40400  1.0 3.0
   37    40   -42    43   7.00000 -1.0 2.0
   37    40    42    45   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    48   7.00000 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    47   0.00000  1.0 1.0
   40    42    45    49  -0.28300  1.0 1.0
   40    42    45    49   0.26700 -1.0 2.0
   40    42    45    49  -0.63300  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -48    33   0.09850  1.0 1.0
   42    43   -48    33   0.15250 -1.0 2.0
   42    43   -48    33  -0.50650  1.0 3.0
   42    43    48    51   0.09850  1.0 1.0
   42    43    48    51   0.15250 -1.0 2.0
   42    43    48    51  -0.50650  1.0 3.0
   42    43    48    53   0.39000  1.0 1.0
   42    43    48    53  -0.05800 -1.0 2.0
   42    43    48    53  -0.55150  1.0 3.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    54  -0.28300  1.0 1.0
   42    45    49    54   0.26700 -1.0 2.0
   42    45    49    54  -0.63300  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    49  -0.28300  1.0 1.0
   43    42    45    49   0.26700 -1.0 2.0
   43    42    45    49  -0.63300  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    57   0.34400  1.0 1.0
   43    48    51    57   0.09450 -1.0 2.0
   43    48    51    57   0.11100  1.0 3.0
   43    48    51    59   0.34400  1.0 1.0
   43    48    51    59   0.09450 -1.0 2.0
   43    48    51    59   0.11100  1.0 3.0
   43    48    53    63  -0.77900  1.0 1.0
   43    48    53    63  -0.36900 -1.0 2.0
   43    48    53    63   0.40400  1.0 3.0
   44    43    48    33   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    40   0.09850  1.0 1.0
   48    33   -37    40   0.15250 -1.0 2.0
   48    33   -37    40  -0.50650  1.0 3.0
   48    33   -39    57   0.06250  1.0 1.0
   48    33   -39    57  -0.01100 -1.0 2.0
   48    33   -39    57   0.28050  1.0 3.0
   48    51    57    58   0.15000  1.0 3.0
   48    51    57    67  -0.03700  1.0 1.0
   48    51    57    67   0.37200 -1.0 2.0
   48    51    57    67  -0.47300  1.0 3.0
   48    51   -57    39   0.62750  1.0 1.0
   48    51   -57    39  -0.30950 -1.0 2.0
   48    51   -57    39   0.27300  1.0 3.0
   48    51    59    60   0.15000  1.0 3.0
   48    51    59    61   0.15000  1.0 3.0
   48    51    59    62   0.15000  1.0 3.0
   48    53    63    64   0.37050  1.0 3.0
   48    53    63    65   0.37050  1.0 3.0
   48    53    63    66   0.37050  1.0 3.0
   51    48    53    63   0.06250  1.0 1.0
   51    48    53    63  -0.01100 -1.0 2.0
   51    48    53    63   0.28050  1.0 3.0
   51    57    67    68   0.04150 -1.0 2.0
   51    57    67    75   0.04150 -1.0 2.0
   51    57   -39    33   0.06250  1.0 1.0
   51    57   -39    33  -0.01100 -1.0 2.0
   51    57   -39    33   0.28050  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    67   0.43200  1.0 3.0
   52    51    57    39   0.23400  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   57    51    59    60   0.15000  1.0 3.0
   57    51    59    61   0.15000  1.0 3.0
   57    51    59    62   0.15000  1.0 3.0
   57    67    68    69   3.62500 -1.0 2.0
   57    67    68    70   3.62500 -1.0 2.0
   57    67    75    73   3.62500 -1.0 2.0
   57    67    75    76   3.62500 -1.0 2.0
   58    57    67    68   0.00000  1.0 1.0
   58    57    67    75   0.00000  1.0 1.0
   58    57    39    33   0.37050  1.0 3.0
   67    57    39    33   0.37500  1.0 3.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    75    73   3.62500 -1.0 2.0
   68    67    75    76   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72    73    77   3.62500 -1.0 2.0
   70    72    74    78   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73   -75    67   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    77    82   1.63200 -1.0 2.0
   72    74    78    79   0.08050  1.0 3.0
   72    74    78    80   0.08050  1.0 3.0
   72    74    78    81   0.08050  1.0 3.0
   73    72    74    78   1.63200 -1.0 2.0
   73    77    82    83   0.08050  1.0 3.0
   73    77    82    84   0.08050  1.0 3.0
   73    77    82    85   0.08050  1.0 3.0
   75    67    68    69   3.62500 -1.0 2.0
   75    67   -68    70   3.62500 -1.0 2.0
   75    73    77    82   1.63200 -1.0 2.0
   77    73    75    67   3.62500 -1.0 2.0
   77    73    75    76   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    77   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    48    43   0.61850  1.0 1.0
   39    33    48    43  -0.22750 -1.0 2.0
   39    33    48    43   0.15300  1.0 3.0
   39    33   -48    51   0.62750  1.0 1.0
   39    33   -48    51  -0.30950 -1.0 2.0
   39    33   -48    51   0.27300  1.0 3.0
   39    33    48    53   1.11900  1.0 1.0
   39    33    48    53  -1.16350 -1.0 2.0
   39    33    48    53  -0.34150  1.0 3.0
   39    57    67    68   0.64500  1.0 1.0
   39    57    67    68   0.14800 -1.0 2.0
   39    57    67    68   0.20650  1.0 3.0
   39    57    67    75   0.64500  1.0 1.0
   39    57    67    75   0.14800 -1.0 2.0
   39    57    67    75   0.20650  1.0 3.0
   59    51    57    58   0.15000  1.0 3.0
   59    51    57    67  -0.03700  1.0 1.0
   59    51    57    67   0.37200 -1.0 2.0
   59    51    57    67  -0.47300  1.0 3.0
   59    51    57    39   0.62750  1.0 1.0
   59    51    57    39  -0.30950 -1.0 2.0
   59    51    57    39   0.27300  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    57   0.62750  1.0 1.0
   53    48    51    57  -0.30950 -1.0 2.0
   53    48    51    57   0.27300  1.0 3.0
   53    48    51    59   0.62750  1.0 1.0
   53    48    51    59  -0.30950 -1.0 2.0
   53    48    51    59   0.27300  1.0 3.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    48   7.00000 -1.0 2.0
   45    49    54    55   7.00000 -1.0 2.0
   45    49    54    56   7.00000 -1.0 2.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    54   0.00000  1.0 1.0
   47    45    49    50   0.33100  1.0 3.0
   47    45    49    54   0.00000  1.0 1.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    56   7.00000 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   42    41    40    37   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   68    75    67    57   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    77    73    72   4.00000 -1.0 2.0
   73    76    75    67   1.10000 -1.0 2.0
   45    50    49    54  15.00000 -1.0 2.0
   55    56    54    49  15.00000 -1.0 2.0
END
