* LIGAND DATABASE FILE (OPLS2005)
*
001      97   102    201    338     610
    1     0 S   NP   _N1_     1    29.17339    98.81527   -18.39381
    2     1 S   H    _HN1     2     1.02958    75.83763    35.16329
    3     1 S   H    _H1_     3     1.02839    60.04621   154.67034
    4     1 S   H    _H2_     4     1.02779    71.01347   -80.33968
    5     1 S   CT   _CA1     5     1.50142   170.54335   167.44340
    6     5 S   HC   _HA1     6     1.09567   105.19282    47.29090
    7     5 S   CO3  _C1_     7     1.53762   112.55010   -72.90058
    8     7 S   O2Z  _O11     8     1.26363   114.97032   -38.26110
    9     7 S   O2Z  _O12     9     1.26233   114.98432   141.04617
   10     5 S   CT   _CB1    10     1.53110   107.44689   165.35831
   11    10 S   HC   HB11    11     1.09824   109.33428   -49.02107
   12    10 S   HC   HB12    12     1.09823   110.38813    67.56714
   13    10 S   CT   _CG1    13     1.53019   112.74340  -170.07695
   14    13 S   HC   HG11    14     1.09554   110.51925   -65.40288
   15    13 S   HC   HG12    15     1.09656   109.93668    53.85978
   16    13 S   C    _CD1    16     1.51802   112.33991   174.23224
   17    16 S   O    _OE1    17     1.22718   123.26579     1.26331
   18    16 S   N    _N2_    18     1.38638   111.64179  -178.82464
   19    18 S   H    _HN2    19     1.01596   119.00016     0.89087
   20    18 S   CT1  _CA2    20     1.46247   123.36311   179.78060
   21    20 S   HC   _HA2    21     1.09744   109.37530   -11.75249
   22    20 S   C    _C2_    22     1.53460   108.37311  -127.33864
   23    22 S   O    _O2_    23     1.23016   122.16474  -146.16813
   24    20 S   CT   _CB2    32     1.53607   111.48706   110.40971
   25    24 S   HC   HB21    33     1.09263   109.10382    55.34970
   26    24 S   HC   HB22    34     1.09359   109.75103   173.93583
   27    22 S   N    _N3_    24     1.38476   113.38760    41.19063
   28    27 S   H    _HN3    25     1.01527   118.92801    -0.80503
   29    24 S   S    _SG2    35     1.82858   111.04678   -66.52810
   30    27 S   CT   _CA3    26     1.45473   123.60904   175.08112
   31    30 S   HC   HA31    27     1.09509   109.43923    20.03210
   32    30 S   HC   HA32    28     1.09499   107.06586   137.08565
   33    29 S   CT   _C17    36     1.88103   102.95795   167.53819
   34    30 S   CO3  _C3_    29     1.52924   112.99962  -103.57663
   35    34 S   O2Z  _O31    30     1.26415   115.37004   -44.42048
   36    34 S   O2Z  _O32    31     1.26348   114.99400   136.46197
   37    33 S   CT   _C8_    37     1.57448   110.37592  -177.27143
   38    37 S   HC   _H3_    38     1.10142   104.45283  -174.28235
   39    33 S   CT   _C16    84     1.57112   110.18981   -60.25421
   40    39 S   HC   _H6_    85     1.09442   111.17257    67.90748
   41    37 S   CT   _C7_    39     1.53802   112.07609   -63.91754
   42    41 S   HC   _H14    40     1.09578   109.97195  -177.76332
   43    41 S   HC   _H15    41     1.09416   111.84923    63.97666
   44    37 S   CT   _C9_    68     1.57856   115.25061    72.19510
   45    39 S   OH   _O34    86     1.43318   111.13358  -175.86393
   46    45 S   HO   _H29    87     0.97334   107.53428   -57.09539
   47    41 S   CT   _C6_    42     1.53316   110.79634   -60.05872
   48    47 S   HC   _H12    43     1.09573   108.22915   179.13974
   49    47 S   HC   _H13    44     1.09759   107.03985   -67.32213
   50    44 S   CT   _C10    69     1.55347   115.90285  -124.78582
   51    50 S   HC   _H16    70     1.09646   111.19415    60.53925
   52    50 S   HC   _H17    71     1.09597   111.12984   -58.33362
   53    47 S   CT   _C5_    45     1.54779   114.90611    55.15388
   54    50 S   CT   _C11    72     1.54068   109.59774  -177.88483
   55    54 S   HC   _H18    73     1.09794   108.93488   126.08874
   56    54 S   HC   _H19    74     1.09595   110.73756  -118.19444
   57    53 S   CT   _C20    46     1.55373   112.71778  -155.68003
   58    57 S   HC   _H8_    47     1.09832   110.45947  -161.95587
   59    53 S   CT   _C4_    64     1.53946   110.47002    79.26549
   60    59 S   HC   _H9_    65     1.09558   111.20992  -169.61742
   61    59 S   HC   _H10    66     1.09005   112.78744    70.57968
   62    59 S   HC   _H11    67     1.09187   112.39574   -48.19257
   63    54 S   CO   _C12    75     1.54325   110.40058     5.44687
   64    57 S   CT   _C19    48     1.52843   102.47542    81.35201
   65    64 S   HC   _H20    49     1.09464   111.71304   142.16648
   66    64 S   HC   _H21    50     1.09504   113.05721   -95.33481
   67    57 S   NP   _N4_    54     1.52561   117.38998   -39.48539
   68    67 S   H    _H22    55     1.02848   108.09365    57.53181
   69    63 S   CT   _C13    76     1.54710   110.68441   -62.19071
   70    63 S   OS   _O37    92     1.43256   105.99198    57.16355
   71    63 S   OH   _O38    96     1.42136   108.09131   174.86111
   72    71 S   HO   _H35    97     0.97258   107.37836   167.10131
   73    64 S   OS   _O33    51     1.42735   107.92600    22.73651
   74    67 S   CT   _C21    56     1.51845   111.98217   174.04033
   75    74 S   HC   _H23    57     1.09323   108.40910    60.09414
   76    74 S   HC   _H24    58     1.09365   108.25799  -179.34988
   77    74 S   HC   _H25    59     1.09167   108.98319   -61.24913
   78    67 S   CT   _C22    60     1.50696   115.07738   -61.43412
   79    78 S   HC   _H26    61     1.09283   108.70668   -51.39231
   80    78 S   HC   _H27    62     1.08950   108.68895    71.09565
   81    78 S   HC   _H28    63     1.09403   108.56214  -171.71890
   82    69 S   CO4  _C23    77     1.51734   112.74211   161.61487
   83    82 S   O    _O36    78     1.22245   125.32106    51.55535
   84    69 S   CT   _C24    88     1.53408   114.03708   -75.26436
   85    84 S   HC   _H30    89     1.09436   111.59852    60.31736
   86    84 S   HC   _H31    90     1.09545   111.49354   -60.60375
   87    84 S   HC   _H32    91     1.09621   111.29603  -179.54072
   88    44 S   CT   _C25    93     1.55949   108.65091   118.26545
   89    88 S   HC   _H33    94     1.09316   112.15776   -60.08883
   90    88 S   HC   _H34    95     1.09663   110.64310    58.84003
   91    33 S   CT   _C18    52     1.56742   108.33015    64.19895
   92    91 S   HC   _H7_    53     1.09659   109.46587   -53.88781
   93    82 S   OS   _O35    79     1.36831   110.61904  -129.58344
   94    93 S   CT   _C15    80     1.43296   110.58742    -1.53480
   95    94 S   HC   _H5_    81     1.09844   106.19857   -98.58320
   96    44 S   CT   _C14    82     1.55783   113.32639    -3.45610
   97    96 S   HC   _H4_    83     1.09728   107.18889   -78.81412
  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  13   5   4   3
  24   2   1   1  27  10  16   7  13   6   5  21   6   1  14   5
   4  15   7   6  16  11   5   4  21  10   8   3   2   1  17   9
   4   3  11   8  15   8   5   1   2   7   3   2   1   3   2   1
   1  10   4   7   3   2   1   5   2   1   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    91    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    53    73    91    92    44    94    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    47    53    57    64    73    91    92    59    44    50    93    94    95    96    39    40    45    46    88  
   35    36  
   36  
    0  
   38    41    42    43    47    48    49    53    73    91    92    44    50    51    52    54    69    94    96    97    39    40    45    70    88    89    90  
   41    42    43    47    91    44    50    96    39    88  
   40    45    46    41    44    53    69    73    82    91    92    93    94    95    96    97  
   45    46    91    93    94    95    96  
   42    43    47    48    49    53    57    91    59    44    50    96    88  
   43    47    48    49    53    44  
   47    48    49    53    44  
   50    51    52    54    55    56    63    69    82    93    94    95    96    97    84    70    88    89    90    47    91  
   46    91    93    94    95    96  
   94  
   48    49    53    57    58    64    73    91    92    67    59    60    61    62  
   49    53    57    91    59  
   53    57    91    59  
   51    52    54    55    56    63    69    94    96    97    70    88    89    90    71  
   52    54    55    56    63    96    88  
   54    55    56    63    96    88  
   57    58    64    65    66    73    91    92    67    68    74    78    59    60    61    62  
   55    56    63    69    82    96    84    70    88    71    72  
   56    63    69    70    71  
   63    69    70    71  
   58    64    65    66    73    91    92    67    68    74    75    76    77    78    79    80    81    59    60    61    62  
   64    65    66    73    91    67    68    74    78    59  
   60    61    62    64    67    73    91    92  
   61    62    91  
   62    91  
   91  
   69    82    83    93    94    96    97    84    85    86    87    70    88    89    90    71    72  
   65    66    73    91    92    67    68    74    78  
   66    73    91    67  
   73    91    67  
   68    74    75    76    77    78    79    80    81    73    91  
   74    75    76    77    78    79    80    81  
   82    83    93    94    95    96    97    84    85    86    87    70    88    71    72  
   88    89    90    71    72    82    84    96  
   72    82    84    88    96  
    0  
   91    92  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    93    94    95    96    97    84    85    86    87  
   93    94    96    84  
   85    86    87    93    94    96    97  
   86    87    96  
   87    96  
   96  
   89    90    94    96    97  
   90    96  
   96  
   92    94  
    0  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   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   268.000  1.529
   33    91   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    57   268.000  1.529
   53    91   268.000  1.529
   53    59   268.000  1.529
   57    58   340.000  1.090
   57    64   268.000  1.529
   57    67   367.000  1.471
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   320.000  1.410
   73    91   320.000  1.410
   91    92   340.000  1.090
   67    68   434.000  1.010
   67    74   367.000  1.471
   67    78   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   44    50   268.000  1.529
   44    96   268.000  1.529
   44    88   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   250.000  1.527
   63    69   250.000  1.527
   63    70   320.000  1.380
   63    71   380.000  1.407
   69    82   317.000  1.522
   69    96   268.000  1.529
   69    84   268.000  1.529
   82    83   570.000  1.229
   82    93   214.000  1.327
   93    94   320.000  1.410
   94    95   340.000  1.090
   94    96   268.000  1.529
   94    39   268.000  1.529
   96    97   340.000  1.090
   39    40   340.000  1.090
   39    45   320.000  1.410
   45    46   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   71    72   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  111.63000
   29    33    91    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    91    53    58.35000  112.70000
   33    91    73    50.00000  109.50000
   33    91    92    37.50000  110.70000
   33    39    94    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    47    58.35000  112.70000
   37    44    50    58.35000  112.70000
   37    44    96    58.35000  112.70000
   37    44    88    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    53    58.35000  112.70000
   43    41    42    33.00000  107.80000
   47    41    42    37.50000  110.70000
   47    41    43    37.50000  110.70000
   47    53    57    58.35000  112.70000
   47    53    91    58.35000  112.70000
   47    53    59    58.35000  112.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    64    58.35000  112.70000
   53    57    67    80.00000  111.20000
   53    91    73    50.00000  109.50000
   53    91    92    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    73    50.00000  109.50000
   57    67    68    35.00000  109.50000
   57    67    74    75.00000  113.01200
   57    67    78    75.00000  113.01200
   64    57    58    37.50000  110.70000
   64    73    91    60.00000  109.50000
   66    64    65    33.00000  107.80000
   73    64    65    35.00000  109.50000
   73    64    66    35.00000  109.50000
   73    91    92    35.00000  109.50000
   91    33    37    58.35000  112.70000
   91    53    57    58.35000  112.70000
   67    57    58    35.00000  109.50000
   67    57    64    80.00000  111.20000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   74    67    68    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    67    68    35.00000  109.50000
   78    67    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    53    57    58.35000  112.70000
   59    53    91    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    54    58.35000  112.70000
   44    96    69    58.35000  112.70000
   44    96    94    58.35000  112.70000
   44    96    97    37.50000  110.70000
   44    88    70    50.00000  109.50000
   44    88    89    37.50000  110.70000
   44    88    90    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    75.00000  109.43000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    63    69    65.00000  112.71400
   54    63    70    90.00000  108.56700
   54    63    71    90.00000  110.19100
   56    54    55    33.00000  107.80000
   63    54    55    45.00000  108.72000
   63    54    56    45.00000  108.72000
   63    69    82    63.00000  111.10000
   63    69    96    75.00000  109.43000
   63    69    84    75.00000  109.43000
   63    70    88    60.00000  109.50000
   63    71    72    70.00000  107.92000
   69    82    83    80.00000  120.40000
   69    82    93    81.00000  111.40000
   69    96    94    58.35000  112.70000
   69    96    97    37.50000  110.70000
   69    84    85    37.50000  110.70000
   69    84    86    37.50000  110.70000
   69    84    87    37.50000  110.70000
   82    93    94    83.00000  116.90000
   93    82    83    83.00000  123.40000
   93    94    95    35.00000  109.50000
   93    94    96    50.00000  109.50000
   93    94    39    50.00000  109.50000
   94    96    97    37.50000  110.70000
   94    39    40    37.50000  110.70000
   94    39    45    50.00000  109.50000
   96    44    50    58.35000  112.70000
   96    69    82    63.00000  111.10000
   96    94    95    37.50000  110.70000
   39    33    37    58.35000  112.70000
   39    33    91    58.35000  112.70000
   39    94    95    37.50000  110.70000
   39    94    96    58.35000  112.70000
   39    45    46    55.00000  108.50000
   45    39    40    35.00000  109.50000
   84    69    82    63.00000  111.10000
   84    69    96    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    63    69    90.00000  108.56700
   70    88    89    35.00000  109.50000
   70    88    90    35.00000  109.50000
   88    44    50    58.35000  112.70000
   88    44    96    58.35000  112.70000
   90    88    89    33.00000  107.80000
   71    63    69    90.00000  110.19100
   71    63    70   110.00000  112.08000
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    91   0.01700  1.0 1.0
   24    29    33    91  -0.23550 -1.0 2.0
   24    29    33    91   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
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   96    94   -39    33   0.56750  1.0 1.0
   96    94   -39    33  -0.07550 -1.0 2.0
   96    94   -39    33   0.20000  1.0 3.0
   96    94    39    40   0.15000  1.0 3.0
   96    94    39    45   0.86500  1.0 1.0
   96    94    39    45  -0.17500 -1.0 2.0
   96    94    39    45   0.20800  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.56750  1.0 1.0
   39    33    37    41  -0.07550 -1.0 2.0
   39    33    37    41   0.20000  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    91    53   0.56750  1.0 1.0
   39    33    91    53  -0.07550 -1.0 2.0
   39    33    91    53   0.20000  1.0 3.0
   39    33    91    73   0.62750  1.0 1.0
   39    33    91    73  -0.30950 -1.0 2.0
   39    33    91    73   0.27300  1.0 3.0
   39    33    91    92   0.15000  1.0 3.0
   39    94   -96    44   0.56750  1.0 1.0
   39    94   -96    44  -0.07550 -1.0 2.0
   39    94   -96    44   0.20000  1.0 3.0
   39    94    96    69   0.56750  1.0 1.0
   39    94    96    69  -0.07550 -1.0 2.0
   39    94    96    69   0.20000  1.0 3.0
   39    94    96    97   0.15000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   84    69    82    83   0.30150 -1.0 2.0
   84    69    82    93   0.36750  1.0 3.0
   84    69    96    44   0.56750  1.0 1.0
   84    69    96    44  -0.07550 -1.0 2.0
   84    69    96    44   0.20000  1.0 3.0
   84    69    96    94   0.56750  1.0 1.0
   84    69    96    94  -0.07550 -1.0 2.0
   84    69    96    94   0.20000  1.0 3.0
   84    69    96    97   0.15000  1.0 3.0
   70    63    69    82  -0.09450  1.0 1.0
   70    63    69    82  -1.12950 -1.0 2.0
   70    63    69    82   0.54000  1.0 3.0
   70    63   -69    96   0.62750  1.0 1.0
   70    63   -69    96  -0.30950 -1.0 2.0
   70    63   -69    96   0.27300  1.0 3.0
   70    63    69    84   0.62750  1.0 1.0
   70    63    69    84  -0.30950 -1.0 2.0
   70    63    69    84   0.27300  1.0 3.0
   70    63    71    72  -0.50000  1.0 1.0
   70    63    71    72  -0.73950 -1.0 2.0
   70    63    71    72   0.17150  1.0 3.0
   88    44    50    51   0.15000  1.0 3.0
   88    44    50    52   0.15000  1.0 3.0
   88    44   -50    54   0.56750  1.0 1.0
   88    44   -50    54  -0.07550 -1.0 2.0
   88    44   -50    54   0.20000  1.0 3.0
   88    44   -96    69   0.56750  1.0 1.0
   88    44   -96    69  -0.07550 -1.0 2.0
   88    44   -96    69   0.20000  1.0 3.0
   88    44    96    94   0.56750  1.0 1.0
   88    44    96    94  -0.07550 -1.0 2.0
   88    44    96    94   0.20000  1.0 3.0
   88    44    96    97   0.15000  1.0 3.0
   71    63    69    82  -0.09450  1.0 1.0
   71    63    69    82  -1.12950 -1.0 2.0
   71    63    69    82   0.54000  1.0 3.0
   71    63    69    96   0.86500  1.0 1.0
   71    63    69    96  -0.17500 -1.0 2.0
   71    63    69    96   0.20800  1.0 3.0
   71    63    69    84   0.86500  1.0 1.0
   71    63    69    84  -0.17500 -1.0 2.0
   71    63    69    84   0.20800  1.0 3.0
   71    63    70    88  -0.81800  1.0 1.0
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
   69    93    82    83  10.50000 -1.0 2.0
END
