* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    158    266     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02130    45.37083  -134.63845
    3     1 S   H    _H1_     3     1.02078   104.82415   -32.93433
    4     1 S   H    _H2_     4     1.02085    67.45190    71.51049
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.83599    97.75170  -178.13628
   34    33 S   HC   _H3_    37     1.09620   103.72439    33.05758
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C14    38     1.55476   113.42344   -79.99371
   39    38 S   OM   _O18    39     1.32428   113.19155   -53.35527
   40    38 S   HC   _H37    40     1.10105   104.59314    75.13972
   41    33 S   C4T  _C17    66     1.55111   111.79445   148.09972
   42    38 S   CT   _C10    41     1.54630   108.51933  -173.75433
   43    42 S   HC   _H32    42     1.10018   108.80032  -177.63074
   44    42 S   HC   _H33    43     1.09913   108.61316   -62.65592
   45    41 S   C4T  _C13    67     1.56649   116.59918    59.70247
   46    45 S   HC   _H36    68     1.09638   112.92923    25.87591
   47    48 S   C4T  _C18    72     1.48669   112.54102   -63.26828
   48    42 S   NT   _N17    44     1.47123   113.80182    60.46313
   49    45 S   C4T  _C8_    69     1.53508    89.80675   136.38463
   50    49 S   HC   _H28    70     1.09450   114.47558   101.50112
   51    49 S   HC   _H29    71     1.09714   113.61521  -136.67613
   52    45 S   CT   _C19    73     1.51125   122.51963  -100.07535
   53    52 S   HC   _H40    74     1.09417   110.61280   -50.25522
   54    52 S   HC   _H41    75     1.09458   110.66791  -170.31085
   55    52 S   HC   _H42    76     1.09446   110.62723    69.69056
   56    48 S   CT   _C9_    45     1.48599   109.40849   172.61031
   57    56 S   HC   _H30    46     1.09885   110.78071    31.41306
   58    56 S   HC   _H31    47     1.09578   108.11795   -84.83322
   59    56 S   CT   _C5_    48     1.53586   114.89098   153.26976
   60    59 S   HC   _H22    49     1.09695   109.79578  -178.15051
   61    59 S   HC   _H23    50     1.09646   109.56710    65.97328
   62    59 S   CT   _C6_    51     1.53761   112.42006   -56.13099
   63    62 S   HC   _H24    52     1.09645   109.00464   140.16358
   64    62 S   HC   _H25    53     1.09678   109.84797  -103.68292
   65    62 S   CT   _C12    54     1.53023   110.91303    17.05739
   66    65 S   HC   _H35    55     1.10081   107.29643   -76.04741
   67    65 S   CT   _C15    56     1.53522   114.90782   168.30929
   68    67 S   HC   _H38    57     1.09462   110.93733    58.45566
   69    67 S   CT   _C7_    58     1.51501   109.71107  -178.02880
   70    69 S   HC   _H26    59     1.09257   113.48262   -46.86528
   71    69 S   HC   _H27    60     1.09801   110.11271  -168.39778
   72    69 S   CT   _C11    61     1.52104    99.31097    76.30803
   73    72 S   HC   _H34    62     1.09197   110.87633   157.54015
   74    72 S   CO4  _C4_    63     1.51481    98.07797    43.83137
   75    74 S   O    _O19    64     1.21980   126.27058   151.27082
   76    67 S   OS   _O20    65     1.43113   112.35730   -63.84125
  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
  19   8   2   1   1  11   6   5  25  10   4   3  15   9  21  14
  12   3   2   4   2   1   1   9   5   4   8   5   4   8   4   3
   9   4   9   6   7   5   4   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    72    41    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    48    65    69    72    73    74    41    45    46    49    47    52  
   38    39    40    42    72    41    45    47  
   36    37  
   37  
    0  
   39    40    42    43    44    48    56    72    41    45    47  
   40    42    43    44    48    41  
   42    43    44    48    41  
   45    46    49    50    51    47    52    53    54    55    42    48    56    62    65    66    67    69    70    71    72    73    74    75    76  
   43    44    48    56    57    58    59    65    49    47  
   44    48    56    47  
   48    56    47  
   46    49    50    51    47    52    53    54    55    48    65    69    72    73    74  
   49    50    51    47    52    53    54    55    72  
   52    48    49    50    51    56    57    58    59    62    63    64    65    66    67    68    69    72    73    74    76  
   56    57    58    59    60    61    62    65    66    67    72    49    50    51  
   50    51    52    53    54    55    56    62    65    66    67    72  
   51    52    65  
   52    65  
   53    54    55    72  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    64    65  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    69    76  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72    74    76  
   67    68    69    76  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    74    76  
   70    71    72    73    74    75    76  
   71    72    73    74    76  
   72    73    74    76  
   73    74    75    76  
   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   0.166300   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   48   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.121200   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    41   260.000  1.519
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   382.000  1.448
   48    56   382.000  1.448
   48    47   305.000  1.456
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    47   260.000  1.519
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    76   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   317.000  1.522
   72    41   260.000  1.519
   74    75   570.000  1.229
   74    76   214.000  1.327
   41    45   268.000  1.529
   41    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   260.000  1.519
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    47   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    72    58.35000  112.70000
   33    41    45    65.00000  119.52000
   33    41    47    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    48    56.20000  109.47000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    48    56    51.80000  107.20000
   42    48    47    51.80000  107.20000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    56    57    35.00000  109.50000
   48    56    58    35.00000  109.50000
   48    56    59    56.20000  109.47000
   48    47    65    56.20000  109.47000
   48    47    41    65.00000  120.10000
   48    47    49    65.00000  120.10000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    47    70.00000  112.98000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    76    50.00000  109.50000
   65    47    41    65.00000  119.52000
   65    47    49    65.00000  119.52000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    58.35000  112.70000
   67    76    74    83.00000  116.90000
   69    67    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    63.00000  111.10000
   69    72    41    70.00000  112.98000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    80.00000  120.40000
   72    74    76    81.00000  111.40000
   72    41    45    65.00000  119.52000
   72    41    47    65.00000  119.52000
   74    72    73    35.00000  109.50000
   76    67    68    35.00000  109.50000
   76    67    69    50.00000  109.50000
   76    74    75    83.00000  123.40000
   41    33    34    45.00000  111.22300
   41    33    38    70.00000  112.98000
   41    72    73    45.00000  111.22300
   41    72    74    63.00000  111.10000
   41    45    46    37.50000  110.70000
   41    45    49    63.00000   92.00000
   41    45    52    65.00000  119.52000
   41    47    49    63.00000   92.00000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    47    63.00000   92.00000
   45    52    53    45.00000  111.22300
   45    52    54    45.00000  111.22300
   45    52    55    45.00000  111.22300
   49    45    46    37.50000  110.70000
   51    49    50    33.00000  107.80000
   47    48    56    51.80000  107.20000
   47    65    66    45.00000  111.22300
   47    65    67    70.00000  112.98000
   47    41    45    63.00000   92.00000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   52    45    46    45.00000  112.72800
   52    45    49    65.00000  119.52000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    72   0.44750  1.0 1.0
   29    33    41    72  -0.17800 -1.0 2.0
   29    33    41    72   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    48   1.53400  1.0 1.0
   33    38    42    48  -0.09950 -1.0 2.0
   33    38    42    48   0.05700  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    49  -0.70950  1.0 1.0
   33    41    45    49   0.38400 -1.0 2.0
   33    41    45    52   0.56750  1.0 1.0
   33    41    45    52  -0.07550 -1.0 2.0
   33    41    45    52   0.20000  1.0 3.0
   33    41   -47    48   1.53400  1.0 1.0
   33    41   -47    48  -0.09950 -1.0 2.0
   33    41   -47    48   0.05700  1.0 3.0
   33    41    47    65   0.56750  1.0 1.0
   33    41    47    65  -0.07550 -1.0 2.0
   33    41    47    65   0.20000  1.0 3.0
   33    41   -47    49  -0.70950  1.0 1.0
   33    41   -47    49   0.38400 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    72   0.15000  1.0 3.0
   34    33    41    45   0.00000  1.0 1.0
   34    33    41    47   0.00000  1.0 1.0
   38    33    41    72   0.56750  1.0 1.0
   38    33    41    72  -0.07550 -1.0 2.0
   38    33    41    72   0.20000  1.0 3.0
   38    33    41    45   0.04050  1.0 1.0
   38    33    41    45   0.63700 -1.0 2.0
   38    33    41    45   0.17650  1.0 3.0
   38    33    41    47   0.04050  1.0 1.0
   38    33    41    47   0.63700 -1.0 2.0
   38    33    41    47   0.17650  1.0 3.0
   38    42    48    56   0.23450  1.0 1.0
   38    42    48    56   0.02050 -1.0 2.0
   38    42    48    56   0.25250  1.0 3.0
   38    42   -48    47   0.23450  1.0 1.0
   38    42   -48    47   0.02050 -1.0 2.0
   38    42   -48    47   0.25250  1.0 3.0
   39    38    42    43   0.23400  1.0 3.0
   39    38    42    44   0.23400  1.0 3.0
   39    38    42    48   1.74050  1.0 1.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    48   0.15000  1.0 3.0
   42    48    56    57   0.28000  1.0 3.0
   42    48    56    58   0.28000  1.0 3.0
   42    48    56    59   0.23450  1.0 1.0
   42    48    56    59   0.02050 -1.0 2.0
   42    48    56    59   0.25250  1.0 3.0
   42    48    47    65   0.23450  1.0 1.0
   42    48    47    65   0.02050 -1.0 2.0
   42    48    47    65   0.25250  1.0 3.0
   42    48    47    41   0.23450  1.0 1.0
   42    48    47    41   0.02050 -1.0 2.0
   42    48    47    41   0.25250  1.0 3.0
   42    48    47    49   0.23450  1.0 1.0
   42    48    47    49   0.02050 -1.0 2.0
   42    48    47    49   0.25250  1.0 3.0
   43    42    48    56   0.28000  1.0 3.0
   43    42    48    47   0.28000  1.0 3.0
   44    42    48    56   0.28000  1.0 3.0
   44    42    48    47   0.28000  1.0 3.0
   48    56    59    60   0.15000  1.0 3.0
   48    56    59    61   0.15000  1.0 3.0
   48    56    59    62   1.53400  1.0 1.0
   48    56    59    62  -0.09950 -1.0 2.0
   48    56    59    62   0.05700  1.0 3.0
   56    48    47    65   0.23450  1.0 1.0
   56    48    47    65   0.02050 -1.0 2.0
   56    48    47    65   0.25250  1.0 3.0
   56    48    47    41   0.23450  1.0 1.0
   56    48    47    41   0.02050 -1.0 2.0
   56    48    47    41   0.25250  1.0 3.0
   56    48    47    49   0.23450  1.0 1.0
   56    48    47    49   0.02050 -1.0 2.0
   56    48    47    49   0.25250  1.0 3.0
   56    59    62    63   0.15000  1.0 3.0
   56    59    62    64   0.15000  1.0 3.0
   56    59   -62    65   0.56750  1.0 1.0
   56    59   -62    65  -0.07550 -1.0 2.0
   56    59   -62    65   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.56750  1.0 1.0
   59    62    65    67  -0.07550 -1.0 2.0
   59    62    65    67   0.20000  1.0 3.0
   59    62    65    47   0.31550 -1.0 2.0
   59    62    65    47   0.11250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.56750  1.0 1.0
   62    65    67    69  -0.07550 -1.0 2.0
   62    65    67    69   0.20000  1.0 3.0
   62    65    67    76   0.62750  1.0 1.0
   62    65    67    76  -0.30950 -1.0 2.0
   62    65    67    76   0.27300  1.0 3.0
   62    65   -47    48   1.53400  1.0 1.0
   62    65   -47    48  -0.09950 -1.0 2.0
   62    65   -47    48   0.05700  1.0 3.0
   62    65    47    41   0.04050  1.0 1.0
   62    65    47    41   0.63700 -1.0 2.0
   62    65    47    41   0.17650  1.0 3.0
   62    65    47    49   0.04050  1.0 1.0
   62    65    47    49   0.63700 -1.0 2.0
   62    65    47    49   0.17650  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    47   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    47   0.15000  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    71   0.15000  1.0 3.0
   65    67    69    72   0.56750  1.0 1.0
   65    67    69    72  -0.07550 -1.0 2.0
   65    67    69    72   0.20000  1.0 3.0
   65    67    76    74  -0.25900  1.0 1.0
   65    67    76    74  -0.47000 -1.0 2.0
   65    67    76    74   0.11750  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    76   0.23400  1.0 3.0
   66    65    47    48   0.15000  1.0 3.0
   66    65    47    41   0.00000  1.0 1.0
   66    65    47    49   0.00000  1.0 1.0
   67    65    47    48   1.53400  1.0 1.0
   67    65    47    48  -0.09950 -1.0 2.0
   67    65    47    48   0.05700  1.0 3.0
   67    65    47    41   0.04050  1.0 1.0
   67    65    47    41   0.63700 -1.0 2.0
   67    65    47    41   0.17650  1.0 3.0
   67    65    47    49   0.04050  1.0 1.0
   67    65    47    49   0.63700 -1.0 2.0
   67    65    47    49   0.17650  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69   -72    74  -0.95700  1.0 1.0
   67    69   -72    74  -0.18200 -1.0 2.0
   67    69   -72    74   0.29450  1.0 3.0
   67    69   -72    41   0.31550 -1.0 2.0
   67    69   -72    41   0.11250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    76    74   0.08050  1.0 3.0
   69    67   -76    74  -0.25900  1.0 1.0
   69    67   -76    74  -0.47000 -1.0 2.0
   69    67   -76    74   0.11750  1.0 3.0
   69    72    74    75   0.30150 -1.0 2.0
   69    72   -74    76   0.36750  1.0 3.0
   69    72    41    33   0.56750  1.0 1.0
   69    72    41    33  -0.07550 -1.0 2.0
   69    72    41    33   0.20000  1.0 3.0
   69    72    41    45   0.04050  1.0 1.0
   69    72    41    45   0.63700 -1.0 2.0
   69    72    41    45   0.17650  1.0 3.0
   69    72    41    47   0.04050  1.0 1.0
   69    72    41    47   0.63700 -1.0 2.0
   69    72    41    47   0.17650  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    41   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74  -0.11250  1.0 3.0
   71    69    72    41   0.15000  1.0 3.0
   72    74   -76    67   1.63150  1.0 1.0
   72    74   -76    67   2.92000 -1.0 2.0
   72    41    45    46   0.15000  1.0 3.0
   72    41    45    49  -0.70950  1.0 1.0
   72    41    45    49   0.38400 -1.0 2.0
   72    41    45    52   0.56750  1.0 1.0
   72    41    45    52  -0.07550 -1.0 2.0
   72    41    45    52   0.20000  1.0 3.0
   72    41    47    48   1.53400  1.0 1.0
   72    41    47    48  -0.09950 -1.0 2.0
   72    41    47    48   0.05700  1.0 3.0
   72    41   -47    65   0.56750  1.0 1.0
   72    41   -47    65  -0.07550 -1.0 2.0
   72    41   -47    65   0.20000  1.0 3.0
   72    41   -47    49  -0.70950  1.0 1.0
   72    41   -47    49   0.38400 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    41    33   0.15000  1.0 3.0
   73    72    41    45   0.00000  1.0 1.0
   73    72    41    47   0.00000  1.0 1.0
   74    72    41    33  -0.95700  1.0 1.0
   74    72    41    33  -0.18200 -1.0 2.0
   74    72    41    33   0.29450  1.0 3.0
   74    72    41    45  -0.95700  1.0 1.0
   74    72    41    45  -0.18200 -1.0 2.0
   74    72    41    45   0.29450  1.0 3.0
   74    72    41    47  -0.95700  1.0 1.0
   74    72    41    47  -0.18200 -1.0 2.0
   74    72    41    47   0.29450  1.0 3.0
   75    74    76    67   3.00000 -1.0 2.0
   76    67    69    70   0.23400  1.0 3.0
   76    67    69    71   0.23400  1.0 3.0
   76    67   -69    72   0.62750  1.0 1.0
   76    67   -69    72  -0.30950 -1.0 2.0
   76    67   -69    72   0.27300  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   0.31550 -1.0 2.0
   41    33   -38    42   0.11250  1.0 3.0
   41    72    74    75   0.30150 -1.0 2.0
   41    72    74    76   0.36750  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45   -49    47   0.00000  1.0 1.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    54   0.00000  1.0 1.0
   41    45    52    55   0.00000  1.0 1.0
   45    41    47    48   1.53400  1.0 1.0
   45    41    47    48  -0.09950 -1.0 2.0
   45    41    47    48   0.05700  1.0 3.0
   45    41    47    65  -0.70950  1.0 1.0
   45    41    47    65   0.38400 -1.0 2.0
   45    41   -47    49   0.00000  1.0 1.0
   45    49   -47    48   1.53400  1.0 1.0
   45    49   -47    48  -0.09950 -1.0 2.0
   45    49   -47    48   0.05700  1.0 3.0
   45    49   -47    65  -0.70950  1.0 1.0
   45    49   -47    65   0.38400 -1.0 2.0
   45    49   -47    41   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    47   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    55   0.15000  1.0 3.0
   49    45    52    53   0.00000  1.0 1.0
   49    45    52    54   0.00000  1.0 1.0
   49    45    52    55   0.00000  1.0 1.0
   50    49    47    48   0.15000  1.0 3.0
   50    49    47    65   0.15000  1.0 3.0
   50    49   -47    41   0.15000  1.0 3.0
   51    49    47    48   0.15000  1.0 3.0
   51    49    47    65   0.15000  1.0 3.0
   51    49   -47    41   0.15000  1.0 3.0
   47    48    56    57   0.28000  1.0 3.0
   47    48    56    58   0.28000  1.0 3.0
   47    48   -56    59   0.23450  1.0 1.0
   47    48   -56    59   0.02050 -1.0 2.0
   47    48   -56    59   0.25250  1.0 3.0
   47    65    67    68   0.15000  1.0 3.0
   47    65   -67    69   0.31550 -1.0 2.0
   47    65   -67    69   0.11250  1.0 3.0
   47    65    67    76   0.62750  1.0 1.0
   47    65    67    76  -0.30950 -1.0 2.0
   47    65    67    76   0.27300  1.0 3.0
   47    41   -45    46   0.15000  1.0 3.0
   47    41   -45    49   0.00000  1.0 1.0
   47    41    45    52  -0.70950  1.0 1.0
   47    41    45    52   0.38400 -1.0 2.0
   52    45    49    50   0.15000  1.0 3.0
   52    45    49    51   0.15000  1.0 3.0
   52    45   -49    47  -0.70950  1.0 1.0
   52    45   -49    47   0.38400 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
END
