* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    251     454
    1     0 S   NP   _N1_     1    28.66830    94.50578   -21.60007
    2     1 S   H    _HN1     2     1.02963    89.68274    33.51500
    3     1 S   H    _H1_     3     1.02829    28.42522   162.33082
    4     1 S   H    _H2_     4     1.02777    93.24992   -74.79928
    5     1 S   CT   _CA1     5     1.50126   139.04416   155.16004
    6     5 S   HC   _HA1     6     1.09578   105.23645    62.83092
    7     5 S   CO3  _C1_     7     1.53784   112.34763   -57.33668
    8     7 S   O2Z  _O11     8     1.26355   115.01626   -44.87931
    9     7 S   O2Z  _O12     9     1.26243   114.90750   134.25049
   10     5 S   CT   _CB1    10     1.53079   107.38205  -179.34538
   11    10 S   HC   HB11    11     1.09824   109.26565   -51.41276
   12    10 S   HC   HB12    12     1.09824   110.42829    65.08995
   13    10 S   CT   _CG1    13     1.53008   112.73097  -172.58024
   14    13 S   HC   HG11    14     1.09599   110.36182   -63.62036
   15    13 S   HC   HG12    15     1.09643   110.08505    55.62092
   16    13 S   C    _CD1    16     1.51806   112.23107   175.85121
   17    16 S   O    _OE1    17     1.22731   123.23224    -6.10811
   18    16 S   N    _N2_    18     1.38650   111.70253   174.35739
   19    18 S   H    _HN2    19     1.01583   119.10393     1.17186
   20    18 S   CT1  _CA2    20     1.46176   123.25753  -179.23026
   21    20 S   HC   _HA2    21     1.09742   109.29772    -8.74148
   22    20 S   C    _C2_    22     1.53470   108.68288  -124.33897
   23    22 S   O    _O2_    23     1.23026   122.13806  -147.85763
   24    20 S   CT   _CB2    32     1.53528   111.65828   113.02370
   25    24 S   HC   HB21    33     1.09537   109.70163    56.77256
   26    24 S   HC   HB22    34     1.09392   109.96093   175.28603
   27    22 S   N    _N3_    24     1.38475   113.48430    39.63663
   28    27 S   H    _HN3    25     1.01521   118.89648    -0.96834
   29    24 S   S    _SG2    35     1.83353   111.42433   -63.24883
   30    27 S   CT   _CA3    26     1.45465   123.62614   175.13937
   31    30 S   HC   HA31    27     1.09510   109.45786    19.84970
   32    30 S   HC   HA32    28     1.09503   107.06618   136.88403
   33    29 S   CT   _C12    36     1.89890   101.52269  -158.87559
   34    30 S   CO3  _C3_    29     1.52913   112.96816  -103.78317
   35    34 S   O2Z  _O31    30     1.26416   115.35211   -45.60267
   36    34 S   O2Z  _O32    31     1.26346   115.01867   135.29409
   37    33 S   CO4  _C5_    37     1.51062    99.18736   -66.35579
   38    37 S   O    _O17    38     1.21816   128.47954    90.45960
   39    33 S   CT   _C11    55     1.51916   101.82764    78.45731
   40    39 S   HC   _H30    56     1.09467   115.65413   -29.16931
   41    37 S   OS   _O19    39     1.40368   106.00843   -84.67310
   42    39 S   OH   _O20    57     1.41643   113.04038  -150.19275
   43    42 S   HO   _H40    58     0.97252   107.67469  -172.62781
   44    41 S   CT   _C10    40     1.45074   109.66806   -30.20016
   45    44 S   HC   _H29    41     1.09555   103.90658  -117.57319
   46    44 S   CT   _C9_    42     1.54410   118.63226   125.69804
   47    46 S   HC   _H28    43     1.09391   111.06730    60.74440
   48    46 S   CT   _C8_    44     1.53706   112.33101  -171.61995
   49    48 S   HC   _H27    45     1.10585   106.16048   179.92338
   50    48 S   CT   _C7_    46     1.55378    98.04157    70.86295
   51    50 S   HC   _H26    47     1.09482   110.18036   163.46166
   52    48 S   CT   _C18    66     1.54502   120.19546   -62.63464
   53    50 S   CO4  _C4_    48     1.50397    95.53913    50.11739
   54    53 S   O    _O16    49     1.22010   126.26053   144.80122
   55    50 S   CT   _C14    51     1.55505   115.54329   -67.85254
   56    52 S   CT   _C16    67     1.53584   110.07414   -59.28450
   57    56 S   HC   _H34    68     1.09641   110.90336  -177.80251
   58    56 S   HC   _H35    69     1.09549   111.11682    64.59177
   59    56 S   HC   _H36    70     1.09487   111.75291   -56.99313
   60    52 S   CT   _C17    71     1.53490   110.40506  -179.89913
   61    60 S   HC   _H37    72     1.09637   110.92111   177.48892
   62    60 S   HC   _H38    73     1.09471   111.33555   -64.77395
   63    60 S   HC   _H39    74     1.09492   111.65792    56.76038
   64    52 S   OH   _O22    75     1.41626   112.39671    59.70113
   65    64 S   HO   _H42    76     0.97243   108.67669   176.95637
   66    46 S   OS   _O18    50     1.44134   113.06992   -60.09342
   67    55 S   CT   _C6_    52     1.56842   119.83511   161.76977
   68    67 S   HC   _H24    53     1.09583   111.96346   113.07579
   69    67 S   HC   _H25    54     1.09500   109.85437    -6.74160
   70    33 S   CT   _C13    59     1.57642   128.81010  -168.97909
   71    55 S   OH   _O21    64     1.43497   105.16260   -79.84183
   72    71 S   HO   _H41    65     0.97259   108.13664   -63.18497
   73    70 S   CT   _C15    60     1.58530   111.94495   173.23789
   74    73 S   HC   _H31    61     1.09334   113.25582    78.05254
   75    73 S   HC   _H32    62     1.09468   112.92567   -44.11847
   76    73 S   HC   _H33    63     1.09360   111.47587  -163.46421
  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  12   5   4   3
  21   2   1   1  12   4  13   7   9   6   1  17   7  15   7  21
   9  16   8  13   6   2  11   9   4   3   2   5   3   2   1   1
   1   1   6   3   2   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    70    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    55    67    39    40    42    70    73  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    45    46    50    55    67    68    69    39    40    42    43    70    73    74    75    76    71  
   35    36  
   36  
    0  
   38    41    44    45    46    55    67    39    40    42    70    73  
   41    44    39    70  
   40    42    43    70    73    71    41    44    50    55    67    68    69  
   42    43    70    55    67    68    69  
   44    45    46    47    48    66    55    70    73  
   43    70    55    67    68    69  
   67  
   45    46    47    48    49    50    53    66    55    67    70    73    74    75    76    71    52  
   46    47    48    66    55    70    73  
   47    48    49    50    51    53    54    66    55    70    73    52    56    60    64  
   48    49    50    53    66    70    52  
   49    50    51    53    54    66    55    67    70    71    52    56    57    58    59    60    61    62    63    64    65  
   50    51    53    66    55    52    56    60    64  
   51    53    54    66    55    67    68    69    70    73    71    72    52    56    60    64  
   53    54    66    55    67    70    71    52  
   56    57    58    59    60    61    62    63    64    65    53    55    66  
   54    66    55    67    70    71  
   66    55  
   67    68    69    70    73    74    75    76    71    72    66  
   57    58    59    60    61    62    63    64    65  
   58    59    60    64  
   59    60    64  
   60    64  
   61    62    63    64    65  
   62    63    64  
   63    64  
   64  
   65  
    0  
   70  
   68    69    70    73    71    72  
   69    70    71  
   70    71  
   73    74    75    76    71    72  
   72    73  
    0  
   74    75    76  
   75    76  
   76  
    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   0.167500   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.522
   33    39   268.000  1.529
   33    70   268.000  1.529
   37    38   570.000  1.229
   37    41   214.000  1.327
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    70   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    66   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   268.000  1.529
   50    51   340.000  1.090
   50    53   317.000  1.522
   50    55   268.000  1.529
   53    54   570.000  1.229
   53    66   214.000  1.327
   55    67   268.000  1.529
   55    70   268.000  1.529
   55    71   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   71    72   553.000  0.945
   52    56   268.000  1.529
   52    60   268.000  1.529
   52    64   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   553.000  0.945
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  110.18000
   29    33    39    75.00000  111.63000
   29    33    70    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    81.00000  111.40000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   33    70    44    58.35000  112.70000
   33    70    55    58.35000  112.70000
   33    70    73    58.35000  112.70000
   37    41    44    83.00000  116.90000
   41    37    38    83.00000  123.40000
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    70    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    66    50.00000  109.50000
   44    70    55    58.35000  112.70000
   44    70    73    58.35000  112.70000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    52    58.35000  112.70000
   46    66    53    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    53    63.00000  111.10000
   48    50    55    58.35000  112.70000
   48    52    56    58.35000  112.70000
   48    52    60    58.35000  112.70000
   48    52    64    50.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    54    80.00000  120.40000
   50    53    66    81.00000  111.40000
   50    55    67    58.35000  112.70000
   50    55    70    58.35000  112.70000
   50    55    71    50.00000  109.50000
   53    50    51    35.00000  109.50000
   66    46    47    35.00000  109.50000
   66    46    48    50.00000  109.50000
   66    53    54    83.00000  123.40000
   55    50    51    37.50000  110.70000
   55    50    53    63.00000  111.10000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    39    58.35000  112.70000
   55    70    73    58.35000  112.70000
   55    71    72    55.00000  108.50000
   67    39    40    37.50000  110.70000
   67    39    42    50.00000  109.50000
   69    67    68    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   70    33    37    63.00000  111.10000
   70    33    39    58.35000  112.70000
   70    44    45    37.50000  110.70000
   70    44    46    58.35000  112.70000
   70    55    67    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   71    55    67    50.00000  109.50000
   71    55    70    50.00000  109.50000
   52    48    49    37.50000  110.70000
   52    48    50    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   52    64    65    55.00000  108.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    52    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    52    56    50.00000  109.50000
   64    52    60    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    70   0.01700  1.0 1.0
   24    29    33    70  -0.23550 -1.0 2.0
   24    29    33    70   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    38   0.30150 -1.0 2.0
   29    33    37    41   0.40000  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   29    33    70    44   0.44750  1.0 1.0
   29    33    70    44  -0.17800 -1.0 2.0
   29    33    70    44   0.20200  1.0 3.0
   29    33    70    55   0.44750  1.0 1.0
   29    33    70    55  -0.17800 -1.0 2.0
   29    33    70    55   0.20200  1.0 3.0
   29    33    70    73   0.44750  1.0 1.0
   29    33    70    73  -0.17800 -1.0 2.0
   29    33    70    73   0.20200  1.0 3.0
   33    37   -41    44   1.63150  1.0 1.0
   33    37   -41    44   2.92000 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   33    70    73    74   0.15000  1.0 3.0
   33    70    73    75   0.15000  1.0 3.0
   33    70    73    76   0.15000  1.0 3.0
   37    33    39    67  -0.95700  1.0 1.0
   37    33    39    67  -0.18200 -1.0 2.0
   37    33    39    67   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    33   -70    44  -0.95700  1.0 1.0
   37    33   -70    44  -0.18200 -1.0 2.0
   37    33   -70    44   0.29450  1.0 3.0
   37    33    70    55  -0.95700  1.0 1.0
   37    33    70    55  -0.18200 -1.0 2.0
   37    33    70    55   0.29450  1.0 3.0
   37    33    70    73  -0.95700  1.0 1.0
   37    33    70    73  -0.18200 -1.0 2.0
   37    33    70    73   0.29450  1.0 3.0
   37    41    44    45   0.08050  1.0 3.0
   37    41    44    46  -0.25900  1.0 1.0
   37    41    44    46  -0.47000 -1.0 2.0
   37    41    44    46   0.11750  1.0 3.0
   37    41   -44    70  -0.25900  1.0 1.0
   37    41   -44    70  -0.47000 -1.0 2.0
   37    41   -44    70   0.11750  1.0 3.0
   38    37    41    44   3.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.62750  1.0 1.0
   41    44    46    48  -0.30950 -1.0 2.0
   41    44    46    48   0.27300  1.0 3.0
   41    44    46    66   1.11900  1.0 1.0
   41    44    46    66  -1.16350 -1.0 2.0
   41    44    46    66  -0.34150  1.0 3.0
   41    44   -70    33   0.62750  1.0 1.0
   41    44   -70    33  -0.30950 -1.0 2.0
   41    44   -70    33   0.27300  1.0 3.0
   41    44    70    55   0.62750  1.0 1.0
   41    44    70    55  -0.30950 -1.0 2.0
   41    44    70    55   0.27300  1.0 3.0
   41    44    70    73   0.62750  1.0 1.0
   41    44    70    73  -0.30950 -1.0 2.0
   41    44    70    73   0.27300  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.56750  1.0 1.0
   44    46    48    50  -0.07550 -1.0 2.0
   44    46    48    50   0.20000  1.0 3.0
   44    46    48    52   0.56750  1.0 1.0
   44    46    48    52  -0.07550 -1.0 2.0
   44    46    48    52   0.20000  1.0 3.0
   44    46    66    53  -0.25900  1.0 1.0
   44    46    66    53  -0.47000 -1.0 2.0
   44    46    66    53   0.11750  1.0 3.0
   44    70    73    74   0.15000  1.0 3.0
   44    70    73    75   0.15000  1.0 3.0
   44    70    73    76   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    66   0.23400  1.0 3.0
   45    44    70    33   0.15000  1.0 3.0
   45    44    70    55   0.15000  1.0 3.0
   45    44    70    73   0.15000  1.0 3.0
   46    44    70    33   0.56750  1.0 1.0
   46    44    70    33  -0.07550 -1.0 2.0
   46    44    70    33   0.20000  1.0 3.0
   46    44    70    55   0.56750  1.0 1.0
   46    44    70    55  -0.07550 -1.0 2.0
   46    44    70    55   0.20000  1.0 3.0
   46    44    70    73   0.56750  1.0 1.0
   46    44    70    73  -0.07550 -1.0 2.0
   46    44    70    73   0.20000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48   -50    53  -0.95700  1.0 1.0
   46    48   -50    53  -0.18200 -1.0 2.0
   46    48   -50    53   0.29450  1.0 3.0
   46    48   -50    55   0.56750  1.0 1.0
   46    48   -50    55  -0.07550 -1.0 2.0
   46    48   -50    55   0.20000  1.0 3.0
   46    48    52    56   0.56750  1.0 1.0
   46    48    52    56  -0.07550 -1.0 2.0
   46    48    52    56   0.20000  1.0 3.0
   46    48    52    60   0.56750  1.0 1.0
   46    48    52    60  -0.07550 -1.0 2.0
   46    48    52    60   0.20000  1.0 3.0
   46    48    52    64   0.86500  1.0 1.0
   46    48    52    64  -0.17500 -1.0 2.0
   46    48    52    64   0.20800  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    66    53   0.08050  1.0 3.0
   48    46   -66    53  -0.25900  1.0 1.0
   48    46   -66    53  -0.47000 -1.0 2.0
   48    46   -66    53   0.11750  1.0 3.0
   48    50    53    54   0.30150 -1.0 2.0
   48    50   -53    66   0.36750  1.0 3.0
   48    50    55    67   0.56750  1.0 1.0
   48    50    55    67  -0.07550 -1.0 2.0
   48    50    55    67   0.20000  1.0 3.0
   48    50    55    70   0.56750  1.0 1.0
   48    50    55    70  -0.07550 -1.0 2.0
   48    50    55    70   0.20000  1.0 3.0
   48    50    55    71   0.86500  1.0 1.0
   48    50    55    71  -0.17500 -1.0 2.0
   48    50    55    71   0.20800  1.0 3.0
   48    52    56    57   0.15000  1.0 3.0
   48    52    56    58   0.15000  1.0 3.0
   48    52    56    59   0.15000  1.0 3.0
   48    52    60    61   0.15000  1.0 3.0
   48    52    60    62   0.15000  1.0 3.0
   48    52    60    63   0.15000  1.0 3.0
   48    52    64    65  -0.11600  1.0 1.0
   48    52    64    65  -0.09450 -1.0 2.0
   48    52    64    65   0.21250  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53  -0.11250  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   49    48    52    60   0.15000  1.0 3.0
   49    48    52    64   0.23400  1.0 3.0
   50    48    52    56   0.56750  1.0 1.0
   50    48    52    56  -0.07550 -1.0 2.0
   50    48    52    56   0.20000  1.0 3.0
   50    48    52    60   0.56750  1.0 1.0
   50    48    52    60  -0.07550 -1.0 2.0
   50    48    52    60   0.20000  1.0 3.0
   50    48    52    64   0.86500  1.0 1.0
   50    48    52    64  -0.17500 -1.0 2.0
   50    48    52    64   0.20800  1.0 3.0
   50    53   -66    46   1.63150  1.0 1.0
   50    53   -66    46   2.92000 -1.0 2.0
   50    55    67    68   0.15000  1.0 3.0
   50    55    67    69   0.15000  1.0 3.0
   50    55    67    39   0.56750  1.0 1.0
   50    55    67    39  -0.07550 -1.0 2.0
   50    55    67    39   0.20000  1.0 3.0
   50    55    70    33   0.56750  1.0 1.0
   50    55    70    33  -0.07550 -1.0 2.0
   50    55    70    33   0.20000  1.0 3.0
   50    55   -70    44   0.56750  1.0 1.0
   50    55   -70    44  -0.07550 -1.0 2.0
   50    55   -70    44   0.20000  1.0 3.0
   50    55    70    73   0.56750  1.0 1.0
   50    55    70    73  -0.07550 -1.0 2.0
   50    55    70    73   0.20000  1.0 3.0
   50    55    71    72  -0.11600  1.0 1.0
   50    55    71    72  -0.09450 -1.0 2.0
   50    55    71    72   0.21250  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    66   0.00000  1.0 1.0
   51    50    55    67   0.15000  1.0 3.0
   51    50    55    70   0.15000  1.0 3.0
   51    50    55    71   0.23400  1.0 3.0
   53    50    55    67  -0.95700  1.0 1.0
   53    50    55    67  -0.18200 -1.0 2.0
   53    50    55    67   0.29450  1.0 3.0
   53    50    55    70  -0.95700  1.0 1.0
   53    50    55    70  -0.18200 -1.0 2.0
   53    50    55    70   0.29450  1.0 3.0
   53    50    55    71  -0.09450  1.0 1.0
   53    50    55    71  -1.12950 -1.0 2.0
   53    50    55    71   0.54000  1.0 3.0
   54    53    66    46   3.00000 -1.0 2.0
   66    46    48    49   0.23400  1.0 3.0
   66    46   -48    50   0.62750  1.0 1.0
   66    46   -48    50  -0.30950 -1.0 2.0
   66    46   -48    50   0.27300  1.0 3.0
   66    46    48    52   0.62750  1.0 1.0
   66    46    48    52  -0.30950 -1.0 2.0
   66    46    48    52   0.27300  1.0 3.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50    53    66   0.36750  1.0 3.0
   55    67   -39    33   0.56750  1.0 1.0
   55    67   -39    33  -0.07550 -1.0 2.0
   55    67   -39    33   0.20000  1.0 3.0
   55    67    39    40   0.15000  1.0 3.0
   55    67    39    42   0.86500  1.0 1.0
   55    67    39    42  -0.17500 -1.0 2.0
   55    67    39    42   0.20800  1.0 3.0
   55    70    73    74   0.15000  1.0 3.0
   55    70    73    75   0.15000  1.0 3.0
   55    70    73    76   0.15000  1.0 3.0
   67    55   -70    33   0.56750  1.0 1.0
   67    55   -70    33  -0.07550 -1.0 2.0
   67    55   -70    33   0.20000  1.0 3.0
   67    55    70    44   0.56750  1.0 1.0
   67    55    70    44  -0.07550 -1.0 2.0
   67    55    70    44   0.20000  1.0 3.0
   67    55    70    73   0.56750  1.0 1.0
   67    55    70    73  -0.07550 -1.0 2.0
   67    55    70    73   0.20000  1.0 3.0
   67    55    71    72  -0.11600  1.0 1.0
   67    55    71    72  -0.09450 -1.0 2.0
   67    55    71    72   0.21250  1.0 3.0
   67    39    42    43  -0.11600  1.0 1.0
   67    39    42    43  -0.09450 -1.0 2.0
   67    39    42    43   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    42   0.23400  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    40   0.15000  1.0 3.0
   69    67    39    42   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.36750  1.0 3.0
   39    33    70    44   0.56750  1.0 1.0
   39    33    70    44  -0.07550 -1.0 2.0
   39    33    70    44   0.20000  1.0 3.0
   39    33   -70    55   0.56750  1.0 1.0
   39    33   -70    55  -0.07550 -1.0 2.0
   39    33   -70    55   0.20000  1.0 3.0
   39    33    70    73   0.56750  1.0 1.0
   39    33    70    73  -0.07550 -1.0 2.0
   39    33    70    73   0.20000  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   70    33    37    38   0.30150 -1.0 2.0
   70    33   -37    41   0.36750  1.0 3.0
   70    33   -39    67   0.56750  1.0 1.0
   70    33   -39    67  -0.07550 -1.0 2.0
   70    33   -39    67   0.20000  1.0 3.0
   70    33    39    40   0.15000  1.0 3.0
   70    33    39    42   0.86500  1.0 1.0
   70    33    39    42  -0.17500 -1.0 2.0
   70    33    39    42   0.20800  1.0 3.0
   70    44    46    47   0.15000  1.0 3.0
   70    44   -46    48   0.56750  1.0 1.0
   70    44   -46    48  -0.07550 -1.0 2.0
   70    44   -46    48   0.20000  1.0 3.0
   70    44    46    66   0.62750  1.0 1.0
   70    44    46    66  -0.30950 -1.0 2.0
   70    44    46    66   0.27300  1.0 3.0
   70    55    67    68   0.15000  1.0 3.0
   70    55    67    69   0.15000  1.0 3.0
   70    55   -67    39   0.56750  1.0 1.0
   70    55   -67    39  -0.07550 -1.0 2.0
   70    55   -67    39   0.20000  1.0 3.0
   70    55    71    72  -0.11600  1.0 1.0
   70    55    71    72  -0.09450 -1.0 2.0
   70    55    71    72   0.21250  1.0 3.0
   71    55    67    68   0.23400  1.0 3.0
   71    55    67    69   0.23400  1.0 3.0
   71    55    67    39   0.86500  1.0 1.0
   71    55    67    39  -0.17500 -1.0 2.0
   71    55    67    39   0.20800  1.0 3.0
   71    55    70    33   0.86500  1.0 1.0
   71    55    70    33  -0.17500 -1.0 2.0
   71    55    70    33   0.20800  1.0 3.0
   71    55    70    44   0.86500  1.0 1.0
   71    55    70    44  -0.17500 -1.0 2.0
   71    55    70    44   0.20800  1.0 3.0
   71    55    70    73   0.86500  1.0 1.0
   71    55    70    73  -0.17500 -1.0 2.0
   71    55    70    73   0.20800  1.0 3.0
   52    48    50    51   0.15000  1.0 3.0
   52    48    50    53  -0.95700  1.0 1.0
   52    48    50    53  -0.18200 -1.0 2.0
   52    48    50    53   0.29450  1.0 3.0
   52    48    50    55   0.56750  1.0 1.0
   52    48    50    55  -0.07550 -1.0 2.0
   52    48    50    55   0.20000  1.0 3.0
   56    52    60    61   0.15000  1.0 3.0
   56    52    60    62   0.15000  1.0 3.0
   56    52    60    63   0.15000  1.0 3.0
   56    52    64    65  -0.11600  1.0 1.0
   56    52    64    65  -0.09450 -1.0 2.0
   56    52    64    65   0.21250  1.0 3.0
   60    52    56    57   0.15000  1.0 3.0
   60    52    56    58   0.15000  1.0 3.0
   60    52    56    59   0.15000  1.0 3.0
   60    52    64    65  -0.11600  1.0 1.0
   60    52    64    65  -0.09450 -1.0 2.0
   60    52    64    65   0.21250  1.0 3.0
   64    52    56    57   0.23400  1.0 3.0
   64    52    56    58   0.23400  1.0 3.0
   64    52    56    59   0.23400  1.0 3.0
   64    52    60    61   0.23400  1.0 3.0
   64    52    60    62   0.23400  1.0 3.0
   64    52    60    63   0.23400  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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   50    66    53    54  10.50000 -1.0 2.0
END
