* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    154    230     449
    1     0 S   NP   _N1_     1    28.70466    96.51304   -22.79224
    2     1 S   H    _HN1     2     1.02959    72.92163    22.57665
    3     1 S   H    _H1_     3     1.02834    39.07904   172.43410
    4     1 S   H    _H2_     4     1.02779   101.50427   -83.27541
    5     1 S   CT   _CA1     5     1.50117   142.01312   124.03430
    6     5 S   HC   _HA1     6     1.09575   105.22712    89.41237
    7     5 S   CO3  _C1_     7     1.53781   112.40706   -30.79302
    8     7 S   O2Z  _O11     8     1.26359   115.00404   -43.54502
    9     7 S   O2Z  _O12     9     1.26240   114.92121   135.64214
   10     5 S   CT   _CB1    10     1.53096   107.42617  -152.68094
   11    10 S   HC   HB11    11     1.09826   109.31292   -50.83202
   12    10 S   HC   HB12    12     1.09818   110.42003    65.71068
   13    10 S   CT   _CG1    13     1.53013   112.68895  -171.93418
   14    13 S   HC   HG11    14     1.09595   110.45805   -64.25639
   15    13 S   HC   HG12    15     1.09655   109.95879    54.96445
   16    13 S   C    _CD1    16     1.51824   112.32816   175.30907
   17    16 S   O    _OE1    17     1.22722   123.24983    -1.17603
   18    16 S   N    _N2_    18     1.38612   111.63560   179.09259
   19    18 S   H    _HN2    19     1.01576   119.04589     1.44713
   20    18 S   CT1  _CA2    20     1.46197   123.46929   179.60733
   21    20 S   HC   _HA2    21     1.09734   109.45212    -2.31832
   22    20 S   C    _C2_    22     1.53494   108.27912  -117.91905
   23    22 S   O    _O2_    23     1.23015   122.33448  -143.54304
   24    20 S   CT   _CB2    32     1.53327   111.56018   119.69958
   25    24 S   HC   HB21    33     1.09575   109.97678    56.19137
   26    24 S   HC   HB22    34     1.09442   109.69980   175.23720
   27    22 S   N    _N3_    24     1.38530   113.46209    43.71312
   28    27 S   H    _HN3    25     1.01489   119.00910    -0.36584
   29    24 S   S    _SG2    35     1.82914   111.73643   -64.78759
   30    27 S   CT   _CA3    26     1.45430   123.32858   175.29847
   31    30 S   HC   HA31    27     1.09528   109.23950    25.53203
   32    30 S   HC   HA32    28     1.09498   107.15219   142.50524
   33    29 S   CT   _C23    36     1.83933    99.68127   172.83494
   34    33 S   HC   _H3_    37     1.09519   105.87055   -53.53523
   35    30 S   CO3  _C3_    29     1.52897   112.98987   -97.93645
   36    35 S   O2Z  _O31    30     1.26414   115.30901   -47.86952
   37    35 S   O2Z  _O32    31     1.26343   115.04829   133.07269
   38    33 S   CM   _C12    38     1.53485   111.21257    67.69651
   39    33 S   CT   _C22    82     1.53043   108.89715  -167.05734
   40    39 S   HC   _H47    83     1.09560   112.70785   -57.27763
   41    39 S   HC   _H48    84     1.09598   110.56466  -177.98754
   42    39 S   HC   _H49    85     1.09638   110.82372    63.32349
   43    38 S   CMA  _C13    39     1.36816   121.89965  -112.17005
   44    43 S   OM   _O21    40     1.26922   125.64271    -2.96828
   45    38 S   CT   _C21    78     1.51912   115.37799    68.31537
   46    45 S   HC   _H44    79     1.09397   110.92120   -58.93896
   47    45 S   HC   _H45    80     1.09309   113.90554  -179.13385
   48    45 S   HC   _H46    81     1.09431   110.42785    61.50516
   49    43 S   OS   _O26    41     1.41651   112.40579   179.23536
   50    49 S   CT   _C18    42     1.44855   114.28400  -123.16921
   51    50 S   HC   _H37    43     1.09785   111.56535   -20.96101
   52    50 S   CT   _C14    44     1.55823   105.42166    97.80215
   53    52 S   HC   _H32    45     1.09928   108.15621    55.09203
   54    52 S   HC   _H33    46     1.09807   109.25337   -57.54874
   55    50 S   CT   _C16    59     1.56207   107.86078  -140.36600
   56    55 S   HC   _H35    60     1.09761   108.17103   -67.84199
   57    52 S   CM   _C6_    47     1.51212   116.15692   179.58457
   58    55 S   CM   _C9_    61     1.49441   115.18465    53.81280
   59    57 S   CM   _C4_    48     1.34527   119.31758  -104.05225
   60    59 S   HC   _H28    49     1.08542   121.59149    -5.12457
   61    58 S   CO4  _C10    62     1.47087   110.79766   111.93109
   62    61 S   O    _O23    63     1.21802   127.03116  -174.72582
   63    58 S   CM   _C11    65     1.33702   128.34933   -72.61097
   64    63 S   HC   _H30    66     1.08482   120.91782     2.26183
   65    63 S   HC   _H31    67     1.08498   121.89478  -177.85114
   66    57 S   CT   _C19    74     1.50560   115.75264    74.88647
   67    66 S   HC   _H38    75     1.09375   111.18267   -57.38718
   68    66 S   HC   _H39    76     1.09355   113.03602  -178.48573
   69    66 S   HC   _H40    77     1.09508   109.59277    62.06204
   70    59 S   CO4  _C8_    50     1.47567   122.57795   167.60398
   71    70 S   O    _O22    51     1.22695   120.71929    98.65994
   72    82 S   OS   _O24    64     1.44148   110.70610    86.79148
   73    70 S   CM   _C5_    52     1.49946   118.49656   -81.16136
   74    73 S   HC   _H29    53     1.09027   110.89795   164.53811
   75    73 S   CM   _C7_    54     1.35207   131.22902   -14.93261
   76    75 S   CT   _C15    55     1.52225   125.48911    -2.89820
   77    76 S   HC   _H34    56     1.09096   108.46607   -31.29226
   78    75 S   CT   _C20    70     1.51085   118.84729   176.40757
   79    78 S   HC   _H41    71     1.09456   110.65017   115.05976
   80    78 S   HC   _H42    72     1.09542   112.37051    -4.89473
   81    78 S   HC   _H43    73     1.09450   110.46885  -124.49491
   82    76 S   CT   _C17    57     1.54379   111.75910    90.29308
   83    82 S   HC   _H36    58     1.09100   109.71299   -27.68401
   84    76 S   OH   _O25    68     1.42788   111.80279  -145.35836
   85    84 S   HO   _H51    69     0.97253   107.59250    56.25262
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  16   8  14   5   4  15   7   9   9  10   4   8   3   4   1
   1   4   2   1   1   6   3   6  10   3  10   9   5   5   2   1
   1   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    82    55    56    58  
   51    52    53    54    57    59    76    82    83    55    56    58    61    72    63    66  
   52    53    54    57    82    55    56    58  
   53    54    57    59    60    70    82    55    56    58    66    67    68    69  
   54    57    59    55    66  
   57    59    55    66  
   56    58    61    62    72    63    64    65    84    57    75    76    77    82    83  
   58    61    72    63    76    82    83  
   59    60    70    71    73    66    67    68    69  
   61    62    72    63    64    65    76    82    83  
   60    70    71    73    74    75    66    67    68    69  
   70    71    73    66  
   62    72    63    64    65    76    82    83  
   72    63    82  
   64    65    72    82  
   65  
    0  
   67    68    69    70  
   68    69  
   69  
    0  
   71    73    74    75    76    78  
   73    74    75  
   84    75    76    77    82    83  
   74    75    76    77    82    84    78    79    80    81  
   75    76    78  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82    84  
   80    81  
   81  
    0  
   83    84    85  
   84  
   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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   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
   82   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    59   549.000  1.340
   57    66   317.000  1.510
   59    60   340.000  1.080
   59    70   320.000  1.462
   70    71   570.000  1.229
   70    73   320.000  1.462
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   317.000  1.510
   75    78   317.000  1.510
   76    77   340.000  1.090
   76    82   268.000  1.529
   76    84   320.000  1.410
   82    83   340.000  1.090
   82    55   268.000  1.529
   82    72   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    72   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   84    85   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    70.00000  112.02700
   50    55    82    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    70.00000  124.00000
   52    57    66    65.00000  117.92700
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    59    60    35.00000  120.00000
   57    59    70    65.00000  118.96000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   59    70    71    80.00000  123.72100
   59    70    73    65.00000  118.65900
   70    59    60    40.00000  117.72500
   70    73    74    40.00000  117.72500
   70    73    75    65.00000  118.96000
   73    70    71    80.00000  123.72100
   73    75    76    70.00000  124.00000
   73    75    78    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    82    70.00000  112.02700
   75    76    84    90.00000  110.39200
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    37.50000  110.70000
   76    82    55    58.35000  112.70000
   76    82    72    50.00000  109.50000
   76    84    85    55.00000  108.50000
   82    76    77    37.50000  110.70000
   82    55    56    37.50000  110.70000
   82    55    58    70.00000  112.02700
   82    72    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    82    83    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    72    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   72    82    83    35.00000  109.50000
   72    82    55    50.00000  109.50000
   72    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   84    76    77    35.00000  109.50000
   84    76    82    50.00000  109.50000
   78    75    76    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   66    57    59    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.61850  1.0 1.0
   49    50    52    57  -0.22750 -1.0 2.0
   49    50    52    57   0.15300  1.0 3.0
   49    50    55    82   0.62750  1.0 1.0
   49    50    55    82  -0.30950 -1.0 2.0
   49    50    55    82   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59   0.09850  1.0 1.0
   50    52    57    59   0.15250 -1.0 2.0
   50    52    57    59  -0.50650  1.0 3.0
   50    52    57    66   0.46850  1.0 1.0
   50    52    57    66   0.08550 -1.0 2.0
   50    52    57    66   0.09800  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    82   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    82   0.56750  1.0 1.0
   52    50    55    82  -0.07550 -1.0 2.0
   52    50    55    82   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   7.00000 -1.0 2.0
   52    57    59    70   7.00000 -1.0 2.0
   52    57    66    67   0.34800  1.0 3.0
   52    57    66    68   0.34800  1.0 3.0
   52    57    66    69   0.34800  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    66   0.34800  1.0 3.0
   54    52    57    59   0.00000  1.0 1.0
   54    52    57    66   0.34800  1.0 3.0
   57    59    70    71   1.00000 -1.0 2.0
   57    59    70    73  -1.18350  1.0 1.0
   57    59    70    73   1.45950 -1.0 2.0
   59    57    66    67   0.00000  1.0 1.0
   59    57    66    68   0.00000  1.0 1.0
   59    57    66    69   0.00000  1.0 1.0
   59    70    73    74   0.93700 -1.0 2.0
   59    70    73    75  -1.18350  1.0 1.0
   59    70    73    75   1.45950 -1.0 2.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    73   0.93700 -1.0 2.0
   70    73    75    76   7.00000 -1.0 2.0
   70    73    75    78   7.00000 -1.0 2.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   1.00000 -1.0 2.0
   73    75    76    77   0.00000  1.0 1.0
   73    75    76    82   0.09850  1.0 1.0
   73    75    76    82   0.15250 -1.0 2.0
   73    75    76    82  -0.50650  1.0 3.0
   73    75    76    84   0.67800  1.0 1.0
   73    75    76    84   0.47050 -1.0 2.0
   73    75    76    84  -0.62500  1.0 3.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    81   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    78   7.00000 -1.0 2.0
   75    76    82    83   0.15000  1.0 3.0
   75    76    82    55   0.34400  1.0 1.0
   75    76    82    55   0.09450 -1.0 2.0
   75    76    82    55   0.11100  1.0 3.0
   75    76    82    72   0.61850  1.0 1.0
   75    76    82    72  -0.22750 -1.0 2.0
   75    76    82    72   0.15300  1.0 3.0
   75    76    84    85  -0.07800  1.0 1.0
   75    76    84    85  -0.21500 -1.0 2.0
   75    76    84    85  -0.03150  1.0 3.0
   76    75    78    79   0.34800  1.0 3.0
   76    75    78    80   0.34800  1.0 3.0
   76    75    78    81   0.34800  1.0 3.0
   76    82    55    50   0.56750  1.0 1.0
   76    82    55    50  -0.07550 -1.0 2.0
   76    82    55    50   0.20000  1.0 3.0
   76    82    55    56   0.15000  1.0 3.0
   76    82    55    58   0.34400  1.0 1.0
   76    82    55    58   0.09450 -1.0 2.0
   76    82    55    58   0.11100  1.0 3.0
   76    82    72    61  -0.25900  1.0 1.0
   76    82    72    61  -0.47000 -1.0 2.0
   76    82    72    61   0.11750  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    55   0.15000  1.0 3.0
   77    76    82    72   0.23400  1.0 3.0
   77    76    84    85   0.19450  1.0 3.0
   82    76    84    85  -0.11600  1.0 1.0
   82    76    84    85  -0.09450 -1.0 2.0
   82    76    84    85   0.21250  1.0 3.0
   82    55   -58    61   0.09700  1.0 1.0
   82    55   -58    61   0.15600 -1.0 2.0
   82    55   -58    61  -0.50800  1.0 3.0
   82    55    58    63   0.09850  1.0 1.0
   82    55    58    63   0.15250 -1.0 2.0
   82    55    58    63  -0.50650  1.0 3.0
   83    82    55    50   0.15000  1.0 3.0
   83    82    55    56   0.15000  1.0 3.0
   83    82    55    58   0.15000  1.0 3.0
   83    82    72    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.34400  1.0 1.0
   55    50    52    57   0.09450 -1.0 2.0
   55    50    52    57   0.11100  1.0 3.0
   55    82   -72    61  -0.25900  1.0 1.0
   55    82   -72    61  -0.47000 -1.0 2.0
   55    82   -72    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    72  -0.15000  1.0 1.0
   55    58   -61    72   0.89550 -1.0 2.0
   55    58   -61    72  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -72    82   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    72    82   3.00000 -1.0 2.0
   72    82    55    50   0.62750  1.0 1.0
   72    82    55    50  -0.30950 -1.0 2.0
   72    82    55    50   0.27300  1.0 3.0
   72    82    55    56   0.23400  1.0 3.0
   72    82   -55    58   0.61850  1.0 1.0
   72    82   -55    58  -0.22750 -1.0 2.0
   72    82   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    72  -0.56150  1.0 1.0
   63    58    61    72   2.19150 -1.0 2.0
   84    76    82    83   0.23400  1.0 3.0
   84    76    82    55   0.86500  1.0 1.0
   84    76    82    55  -0.17500 -1.0 2.0
   84    76    82    55   0.20800  1.0 3.0
   84    76    82    72   3.69350  1.0 1.0
   84    76    82    72  -1.82950 -1.0 2.0
   78    75    76    77   0.34800  1.0 3.0
   78    75    76    82   0.46850  1.0 1.0
   78    75    76    82   0.08550 -1.0 2.0
   78    75    76    82   0.09800  1.0 3.0
   78    75    76    84   0.18000  1.0 1.0
   78    75    76    84   0.16450 -1.0 2.0
   78    75    76    84   0.04450  1.0 3.0
   66    57    59    60   7.00000 -1.0 2.0
   66    57    59    70   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   52    66    57    59   1.10000 -1.0 2.0
   70    60    59    57   1.10000 -1.0 2.0
   59    73    70    71  10.50000 -1.0 2.0
   70    74    73    75   1.10000 -1.0 2.0
   76    78    75    73   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    72    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
END
