* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    114    172     330
    1     0 S   NP   _N1_     1    28.92755    95.55344   -25.50967
    2     1 S   H    _HN1     2     1.02791   119.23749   -92.86722
    3     1 S   H    _H1_     3     1.02948    75.71680    10.44896
    4     1 S   H    _H2_     4     1.02827    31.36352  -168.86964
    5     1 S   CT   _CA1     5     1.50117   122.94119   115.75045
    6     5 S   HC   _HA1     6     1.09573   105.17493    91.81538
    7     5 S   CO3  _C1_     7     1.53775   112.50040   -28.40549
    8     7 S   O2Z  _O11     8     1.26374   115.00600   -41.85821
    9     7 S   O2Z  _O12     9     1.26240   114.94521   137.24735
   10     5 S   CT   _CB1    10     1.53072   107.41740  -150.19734
   11    10 S   HC   HB11    11     1.09837   109.33895   -49.50358
   12    10 S   HC   HB12    12     1.09811   110.46250    67.09680
   13    10 S   CT   _CG1    13     1.53008   112.63173  -170.45849
   14    13 S   HC   HG11    14     1.09573   110.69343   -66.85148
   15    13 S   HC   HG12    15     1.09671   109.72492    52.39098
   16    13 S   C    _CD1    16     1.51804   112.10770   172.86205
   17    16 S   O    _OE1    17     1.22745   123.23241    10.26360
   18    16 S   N    _N2_    18     1.38659   111.75971  -169.74460
   19    18 S   H    _HN2    19     1.01572   118.95533     1.42161
   20    18 S   CT1  _CA2    20     1.46214   123.38424   176.87845
   21    20 S   HC   _HA2    21     1.09742   109.30338     6.60824
   22    20 S   C    _C2_    22     1.53658   108.77247  -108.87411
   23    22 S   O    _O2_    23     1.23075   122.25740  -148.41507
   24    20 S   CT   _CB2    32     1.53432   111.67819   128.59659
   25    24 S   HC   HB21    33     1.09492   109.72509    56.45375
   26    24 S   HC   HB22    34     1.09407   109.72193   175.33360
   27    22 S   N    _N3_    24     1.38313   113.83791    39.05538
   28    27 S   H    _HN3    25     1.01552   119.63338    -3.11910
   29    24 S   S    _SG2    35     1.82871   111.27264   -64.25797
   30    27 S   CT   _CA3    26     1.45290   123.26685   177.21807
   31    30 S   HC   HA31    27     1.09547   107.50046   -65.07756
   32    30 S   HC   HA32    28     1.09555   108.01028    51.38292
   33    29 S   CT   _C5_    36     1.87167   101.17333  -169.10108
   34    30 S   CO3  _C3_    29     1.52973   114.04083   173.39194
   35    34 S   O2Z  _O31    30     1.26383   116.06877    -0.50280
   36    34 S   O2Z  _O32    31     1.26423   114.42187   179.55854
   37    33 S   CM   _C6_    37     1.55823   107.23933   172.73707
   38    33 S   CT   _C4_    61     1.54160   107.02413   -62.68376
   39    38 S   HC   _H3_    62     1.09701   111.47147    72.07223
   40    38 S   HC   _H4_    63     1.09477   113.58536   -49.63030
   41    38 S   HC   _H5_    64     1.09737   110.56118  -172.29161
   42    37 S   S    _S1_    38     1.78481   115.22241   -76.13904
   43    37 S   CMA  _C7_    46     1.37318   127.00629   102.27896
   44    43 S   OM   _O33    47     1.26128   129.31314    -2.69363
   45    42 S   CT   _C14    39     1.80363    98.67964   -47.37859
   46    45 S   HC   _H12    40     1.09497   108.78208   -66.09899
   47    45 S   HC   _H13    41     1.09377   108.89007   175.75693
   48    43 S   NE   _N4_    48     1.40553   119.10678  -177.98987
   49    48 S   H    _H6_    49     1.01676   112.52416    14.75305
   50    45 S   CT   _C15    42     1.51170   108.88758    55.05434
   51    50 S   HC   _H14    43     1.09565   112.86040    58.47166
   52    50 S   HC   _H15    44     1.09558   108.61421   176.02704
   53    48 S   CA   _C8_    50     1.41542   134.24022  -156.61323
   54    33 S   OS   _O34    45     1.44791   112.94298    48.93730
   55    53 S   CA   _C9_    51     1.40736   117.88591  -161.39862
   56    55 S   HA   _H7_    52     1.08809   119.99972    -1.13384
   57    55 S   CA   _C10    53     1.39719   121.35017   178.50263
   58    57 S   HA   _H8_    54     1.08606   119.94455   179.97202
   59    57 S   CA   _C11    55     1.39096   119.95813    -0.23155
   60    59 S   HA   _H9_    56     1.08581   120.18149  -180.00000
   61    59 S   CA   _C12    57     1.39190   119.67881     0.01978
   62    61 S   HA   _H10    58     1.08635   119.98496   179.79923
   63    53 S   CA   _C13    59     1.40199   124.39909    16.45078
   64    63 S   HA   _H11    60     1.08624   121.12145     3.29741
  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
  14   2   1   1  15   7   3   2   1  10   8   3   6   5   4   8
   3   3   2   1   9   1   8   4   6   3   5   3   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    50    54    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    45    50    51    52    54    43    44    48    38    39    40    41  
   35    36  
   36  
    0  
   42    45    46    47    50    54    43    44    48    49    53    38    39    40    41  
   39    40    41    42    43    50    54  
   40    41    54  
   41    54  
   54  
   45    46    47    50    51    52    54    43    44    48  
   44    48    49    53    55    63    45    54  
   48    49    53  
   46    47    50    51    52    54  
   47    50    51    52    54  
   50    51    52    54  
   49    53    55    56    57    61    63    64  
   53    55    63  
   51    52    54  
   52    54  
   54  
   55    56    57    58    59    61    62    63    64  
    0  
   56    57    58    59    60    61    63    64  
   57    58    59    63  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64  
   63    64  
   64  
    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  -0.662700   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0760   0.497600   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   0.047500   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   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    54   320.000  1.410
   33    38   268.000  1.529
   37    42   240.000  1.763
   37    43   465.000  1.376
   42    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   320.000  1.410
   43    44   745.000  1.250
   43    48   415.000  1.382
   48    49   434.000  1.010
   48    53   481.000  1.340
   53    55   469.000  1.400
   53    63   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    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    54    85.00000  114.68000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.37300
   33    37    43    70.00000  124.00000
   33    54    50    60.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    45    85.00000  102.41200
   37    43    44    65.00000  137.10300
   37    43    48    75.00000  114.40000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    50    75.00000  111.63000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    54    50.00000  109.50000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   52    50    51    33.00000  107.80000
   54    33    37    85.00000  110.90400
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  109.50000
   43    37    42    65.00000  122.11800
   43    48    49    50.00000  121.48000
   43    48    53    75.00000  121.78000
   48    43    44   105.00000  113.92000
   48    53    55    70.00000  120.10000
   48    53    63    70.00000  120.10000
   53    48    49    35.00000  113.50000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   53    63    61    63.00000  120.00000
   53    63    64    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   63    53    55    63.00000  120.00000
   63    61    62    35.00000  120.00000
   38    33    37    70.00000  112.02700
   38    33    54    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    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    54   0.13850  1.0 1.0
   24    29    33    54  -1.34450 -1.0 2.0
   24    29    33    54   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    54    50   0.14700  1.0 1.0
   29    33    54    50  -1.16150 -1.0 2.0
   29    33    54    50   0.48700  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    45   1.00000 -1.0 2.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    48   7.00000 -1.0 2.0
   37    33    54    50  -0.77900  1.0 1.0
   37    33    54    50  -0.36900 -1.0 2.0
   37    33    54    50   0.40400  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    45    46   0.24000  1.0 3.0
   37    42    45    47   0.24000  1.0 3.0
   37    42   -45    50   0.00000  1.0 1.0
   37    43    48    49   1.00000 -1.0 2.0
   37    43    48    53  -0.54500  1.0 1.0
   37    43    48    53   1.14150 -1.0 2.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    48   7.00000 -1.0 2.0
   42    45    50    51   0.15000  1.0 3.0
   42    45    50    52   0.15000  1.0 3.0
   42    45    50    54   0.56750  1.0 1.0
   42    45    50    54  -0.07550 -1.0 2.0
   42    45    50    54   0.20000  1.0 3.0
   45    50   -54    33   0.06250  1.0 1.0
   45    50   -54    33  -0.01100 -1.0 2.0
   45    50   -54    33   0.28050  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    54   0.23400  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    54   0.23400  1.0 3.0
   51    50    54    33   0.37050  1.0 3.0
   52    50    54    33   0.37050  1.0 3.0
   54    33   -37    42   0.09700  1.0 1.0
   54    33   -37    42   0.15600 -1.0 2.0
   54    33   -37    42  -0.50800  1.0 3.0
   54    33    37    43   0.39000  1.0 1.0
   54    33    37    43  -0.05800 -1.0 2.0
   54    33    37    43  -0.55150  1.0 3.0
   54    33    38    39   0.23400  1.0 3.0
   54    33    38    40   0.23400  1.0 3.0
   54    33    38    41   0.23400  1.0 3.0
   43    37    42    45   1.00000 -1.0 2.0
   43    48    53    55   0.70250  1.0 1.0
   43    48    53    55   1.56150 -1.0 2.0
   43    48    53    63   0.70250  1.0 1.0
   43    48    53    63   1.56150 -1.0 2.0
   44    43    48    49   1.00000 -1.0 2.0
   44    43    48    53   1.00000 -1.0 2.0
   48    53    55    56   3.62500 -1.0 2.0
   48    53    55    57   3.62500 -1.0 2.0
   48    53    63    61   3.62500 -1.0 2.0
   48    53    63    64   3.62500 -1.0 2.0
   49    48    53    55   1.00000 -1.0 2.0
   49    48    53    63   1.00000 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55    57    59   3.62500 -1.0 2.0
   55    53    63    61   3.62500 -1.0 2.0
   55    53    63    64   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57   -59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59    61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61   -63    53   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   62    61    63    53   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    53    55    56   3.62500 -1.0 2.0
   63    53   -55    57   3.62500 -1.0 2.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    54    50   0.06250  1.0 1.0
   38    33    54    50  -0.01100 -1.0 2.0
   38    33    54    50   0.28050  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    43   1.10000 -1.0 2.0
   48    44    43    37   1.10000 -1.0 2.0
   49    43    48    53   1.00000 -1.0 2.0
   55    63    53    48   4.00000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    64    63    53   1.10000 -1.0 2.0
END
