* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    164    248     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   _C24    36     1.80543    98.16150   161.78140
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C21    37     1.51537   107.21001   -79.99689
   38    37 S   O    _O4_    38     1.22693   123.13201    84.01928
   39    33 S   CM   _C23    86     1.51592   110.13503   155.56601
   40    33 S   OS   _O8_    90     1.42656   110.75857    34.10822
   41    37 S   CA   _C12    39     1.46806   116.70242   -93.94095
   42    39 S   NE   _N7_    87     1.38213   113.82152   -78.91944
   43    42 S   H    _H22    88     0.98801   117.66034  -179.87805
   44    42 S   H    _H23    89     0.98779   117.70435     0.14265
   45    40 S   CT   _C28    91     1.41949   111.33601  -175.41520
   46    45 S   HC   _H17    92     1.09328   109.47418   179.94065
   47    45 S   HC   _H18    93     1.09258   109.54036    59.16872
   48    45 S   HC   _H19    94     1.09276   108.97814   -60.48035
   49    41 S   CA   _C7_    40     1.39699   120.18132   161.50950
   50    49 S   HA   _H5_    41     1.08674   121.38872     0.07913
   51    49 S   CA   _C9_    42     1.38653   119.48924  -179.22242
   52    51 S   HA   _H7_    43     1.08502   120.36495   179.59074
   53    51 S   CA   _C18    44     1.38115   117.61155    -0.15826
   54    53 S   CA   _C19    45     1.44291   121.11631   179.83214
   55    53 S   NB   _N5_    82     1.35326   123.96776    -0.30326
   56    54 S   NB   _N4_    46     1.35113   113.70902   -60.00361
   57    41 S   CA   _C20    83     1.39004   119.90580   -18.34777
   58    56 S   CA   _C4_    47     1.35191   116.38378   179.98022
   59    57 S   CMA  _C22    84     1.50885   123.31034    -3.05582
   60    59 S   OM   _O3_    85     1.27008   118.70139  -167.56714
   61    58 S   CA   _C13    48     1.38585   124.05773    -0.03426
   62    58 S   C    _C5_    78     1.45541   114.63190  -180.00000
   63    62 S   O    _O1_    79     1.23429   125.41819  -149.96524
   64    61 S   CA   _C11    49     1.39057   117.84827     0.02798
   65    61 S   CT   _C25    74     1.49351   120.56789  -179.97202
   66    65 S   HC   _H8_    75     1.09665   110.21397   -89.98833
   67    65 S   HC   _H9_    76     1.09601   111.20458    30.48366
   68    65 S   HC   _H10    77     1.09671   111.14246   149.54132
   69    62 S   OH   _O33    80     1.36073   112.43064    29.92576
   70    69 S   HO   _H3_    81     0.98097   113.11622  -179.92598
   71    64 S   CA   _C10    50     1.45393   119.91034   179.97202
   72    54 S   CA   _C14    70     1.38548   122.25143   119.96224
   73    71 S   CA   _C6_    51     1.39540   119.06351   -89.96536
   74    73 S   HA   _H4_    52     1.08795   120.93633     0.07913
   75    72 S   NE   _N6_    71     1.41205   120.92039     0.04423
   76    75 S   H    _H20    72     0.99960   119.15517   176.80157
   77    75 S   H    _H21    73     0.99946   119.09852     3.09876
   78    73 S   CA   _C8_    53     1.39473   119.98991  -179.96574
   79    78 S   HA   _H6_    54     1.08684   119.59415  -179.93147
   80    78 S   CA   _C15    55     1.39450   119.97876     0.05595
   81    80 S   CA   _C17    56     1.39498   120.03676    -0.09891
   82    80 S   OS   _O6_    65     1.36318   119.36575  -179.95154
   83    71 S   CA   _C16    57     1.39440   120.92309    90.08264
   84    81 S   OS   _O7_    60     1.36399   119.94227   179.94766
   85    82 S   CT   _C26    66     1.42587   117.02958    -0.10468
   86    85 S   HC   _H11    67     1.09291   109.49513  -179.95577
   87    85 S   HC   _H12    68     1.09280   109.52901    59.23287
   88    85 S   HC   _H13    69     1.09269   108.93849   -60.41669
   89    83 S   OH   _O5_    58     1.36485   120.62234     0.05935
   90    89 S   HO   _H24    59     0.96958   110.05896   179.97202
   91    84 S   CT   _C27    61     1.42503   116.96750    90.00847
   92    91 S   HC   _H14    62     1.09240   109.55023  -179.95154
   93    91 S   HC   _H15    63     1.09376   109.52784    59.23996
   94    91 S   HC   _H16    64     1.09305   109.01318   -60.36863
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   2   1   1  12   5  10   7   9   5   2   1   3   2   1   1
   8   4   7   3   9  12   5   9   2  12   1   1  13   5   2  15
   5   2   1   1   1   1  12   5   8   4   2   1   1   7   3  10
  10   6   4   5   3   2   1   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    59    39    42    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    49    57    59    60    39    42    43    44    40    45    46    47    48  
   35    36  
   36  
    0  
   38    41    49    50    51    55    57    59    39    42    40    45  
   41    49    57    39    40  
   42    43    44    40    45    41    55    57    59    60  
   45    46    47    48    41    42    59  
   49    50    51    52    53    55    57    59    60  
   43    44    57    59    60  
   44    59  
   59  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    57    59  
   51    52    53    57  
   52    53    54    56    72    55    57  
   53    54    55  
   54    56    58    64    72    75    55    57    59  
   56    58    61    64    71    72    75    76    77    62    55    57  
   57    59    60    56    72  
   58    61    64    72    75    65    62    63    69  
   59    60  
   61    64    71    72    65    66    67    68    62    63    69    70  
   60  
    0  
   64    71    73    83    72    75    65    66    67    68    62    63    69  
   63    69    70    64    65  
   69    70  
   71    73    74    78    81    83    89    72    75    76    77    65    66    67    68  
   66    67    68    71    72  
   67    68  
   68  
    0  
   70  
    0  
   73    74    78    79    80    81    83    89    90    84    72    75  
   75    76    77    73    83  
   74    78    79    80    81    83    89    82  
   78    79    80    83  
   76    77  
   77  
    0  
   79    80    81    83    84    82    85  
   80    81    82  
   81    83    89    84    91    82    85    86    87    88  
   83    89    90    84    91    92    93    94    82    85  
   85    86    87    88    83    84  
   89    90    84    91  
   91    92    93    94    89  
   86    87    88  
   87    88  
   88  
    0  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.465900   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   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.652200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0700  -0.407000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.653700   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.351300   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   64   3.5500   0.0700   0.292000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.092000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   76   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   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   317.000  1.510
   33    40   320.000  1.410
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    49   469.000  1.400
   41    57   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   375.000  1.464
   53    55   483.000  1.339
   54    56   483.000  1.339
   54    72   469.000  1.400
   56    58   483.000  1.339
   58    61   469.000  1.400
   58    62   400.000  1.490
   61    64   469.000  1.400
   61    65   317.000  1.510
   64    71   375.000  1.464
   64    72   469.000  1.400
   71    73   469.000  1.400
   71    83   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    83   469.000  1.400
   81    84   450.000  1.364
   83    89   450.000  1.364
   89    90   553.000  0.945
   84    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   82    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   72    75   481.000  1.340
   75    76   434.000  1.010
   75    77   434.000  1.010
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   62    63   570.000  1.229
   62    69   450.000  1.364
   69    70   553.000  0.945
   55    57   483.000  1.339
   57    59   320.000  1.460
   59    60   745.000  1.250
   59    39   465.000  1.376
   39    42   425.000  1.378
   42    43   434.000  1.010
   42    44   434.000  1.010
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  112.20000
   29    33    40    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    39    59    70.00000  124.00000
   33    39    42    75.00000  116.24600
   33    40    45    60.00000  109.50000
   37    41    49    60.00000  119.52600
   37    41    57    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    49    50    35.00000  120.00000
   41    49    51    63.00000  120.00000
   41    57    55    70.00000  124.00000
   41    57    59    60.00000  120.93500
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    60.00000  122.76000
   51    53    55    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    56    70.00000  116.69200
   53    54    72    60.00000  122.76000
   53    55    57    70.00000  117.00000
   54    56    58    70.00000  117.00000
   54    72    64    63.00000  120.00000
   54    72    75    70.00000  120.10000
   56    58    61    70.00000  124.00000
   56    58    62    75.00000  117.56100
   58    61    64    63.00000  120.00000
   58    61    65    70.00000  120.00000
   58    62    63    80.00000  120.40000
   58    62    69    85.00000  111.88000
   61    64    71    60.00000  122.76000
   61    64    72    63.00000  120.00000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   64    71    73    60.00000  122.76000
   64    71    83    60.00000  122.76000
   64    72    75    70.00000  120.10000
   71    73    74    35.00000  120.00000
   71    73    78    63.00000  120.00000
   71    83    81    63.00000  120.00000
   71    83    89    70.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    80    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    80    81    63.00000  120.00000
   78    80    82    70.00000  120.00000
   80    78    79    35.00000  120.00000
   80    81    83    63.00000  120.00000
   80    81    84    70.00000  120.00000
   80    82    85    75.00000  111.00000
   81    83    89    70.00000  120.00000
   81    84    91    75.00000  111.00000
   83    71    73    63.00000  120.00000
   83    89    90    35.00000  113.00000
   84    81    83    70.00000  120.00000
   84    91    92    35.00000  109.50000
   84    91    93    35.00000  109.50000
   84    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   82    80    81    70.00000  120.00000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   72    54    56    70.00000  124.00000
   72    64    71    60.00000  122.76000
   72    75    76    35.00000  113.50000
   72    75    77    35.00000  113.50000
   77    75    76    35.00000  109.00000
   65    61    64    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   62    58    61    85.00000  120.00000
   62    69    70    35.00000  113.00000
   69    62    63   100.00000  123.32000
   55    53    54    70.00000  116.69200
   55    57    59    70.00000  118.40000
   57    41    49    63.00000  120.00000
   57    59    60    85.00000  114.86500
   57    59    39    60.00000  123.20500
   59    39    42    70.00000  124.03900
   39    33    37    70.00000  109.06800
   39    59    60    65.00000  137.10300
   39    42    43    35.00000  114.50000
   39    42    44    35.00000  114.50000
   44    42    43    35.00000  109.00000
   40    33    37    90.00000  108.74100
   40    33    39    85.00000  110.90400
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    39    59   0.42700  1.0 1.0
   29    33    39    59  -0.70350 -1.0 2.0
   29    33    39    59  -0.43150  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   29    33    40    45   0.14700  1.0 1.0
   29    33    40    45  -1.16150 -1.0 2.0
   29    33    40    45   0.48700  1.0 3.0
   33    37    41    49   2.26350  1.0 1.0
   33    37    41    49   0.76750 -1.0 2.0
   33    37    41    49   0.22500  1.0 3.0
   33    37    41    57   2.26350  1.0 1.0
   33    37    41    57   0.76750 -1.0 2.0
   33    37    41    57   0.22500  1.0 3.0
   33    39    42    43   2.40850 -1.0 2.0
   33    39    42    44   2.40850 -1.0 2.0
   33    40    45    46   0.37050  1.0 3.0
   33    40    45    47   0.37050  1.0 3.0
   33    40    45    48   0.37050  1.0 3.0
   37    33    39    59  -0.51250  1.0 1.0
   37    33    39    59  -0.88800 -1.0 2.0
   37    33    39    59   0.08850  1.0 3.0
   37    33    39    42   0.09700  1.0 1.0
   37    33    39    42   0.15600 -1.0 2.0
   37    33    39    42  -0.50800  1.0 3.0
   37    33    40    45  -1.11000  1.0 1.0
   37    33    40    45   0.50250 -1.0 2.0
   37    33    40    45   0.47450  1.0 3.0
   37    41    49    50   3.62500 -1.0 2.0
   37    41    49    51   3.62500 -1.0 2.0
   37    41    57    55   3.62500 -1.0 2.0
   37    41   -57    59   3.62500 -1.0 2.0
   38    37    41    49   1.05000 -1.0 2.0
   38    37    41    57   1.05000 -1.0 2.0
   41    49    51    52   3.62500 -1.0 2.0
   41    49    51    53   3.62500 -1.0 2.0
   41    57    59    60  -0.01750  1.0 1.0
   41    57    59    60  -0.32000 -1.0 2.0
   41    57    59    60   0.00600  1.0 3.0
   41    57    59    39   0.15800  1.0 1.0
   41    57    59    39   1.85350 -1.0 2.0
   41    57    59    39  -0.48700  1.0 3.0
   49    41    57    55   3.62500 -1.0 2.0
   49    41    57    59   3.62500 -1.0 2.0
   49    51    53    54   3.62500 -1.0 2.0
   49    51   -53    55   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    56   0.04300  1.0 1.0
   51    53    54    56   0.58850 -1.0 2.0
   51    53    54    56   0.22750  1.0 3.0
   51    53    54    72  -0.19450  1.0 1.0
   51    53    54    72   0.63300 -1.0 2.0
   51    53    54    72   0.07450  1.0 3.0
   51    53    55    57   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    54    56    58   3.62500 -1.0 2.0
   53    54    72    64   3.62500 -1.0 2.0
   53    54    72    75   3.62500 -1.0 2.0
   53    55   -57    41   3.62500 -1.0 2.0
   53    55    57    59   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   54    56    58    61   3.62500 -1.0 2.0
   54    56    58    62   3.62500 -1.0 2.0
   54    72    75    76   1.00000 -1.0 2.0
   54    72    75    77   1.00000 -1.0 2.0
   56    54    72    64   3.62500 -1.0 2.0
   56    54    72    75   3.62500 -1.0 2.0
   56    58   -61    64   3.62500 -1.0 2.0
   56    58    61    65   3.62500 -1.0 2.0
   56    58    62    63   1.05000 -1.0 2.0
   56    58    62    69   0.78600  1.0 1.0
   56    58    62    69  -0.32500 -1.0 2.0
   58    61    64    71   3.62500 -1.0 2.0
   58    61    64    72   3.62500 -1.0 2.0
   58    61    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61    65    68   0.00000  1.0 1.0
   58    62    69    70   2.25750  1.0 1.0
   58    62    69    70  -1.92700 -1.0 2.0
   61    58    62    63   1.05000 -1.0 2.0
   61    58    62    69   0.36000 -1.0 2.0
   61    64    71    73  -0.19450  1.0 1.0
   61    64    71    73   0.63300 -1.0 2.0
   61    64    71    73   0.07450  1.0 3.0
   61    64    71    83  -0.19450  1.0 1.0
   61    64    71    83   0.63300 -1.0 2.0
   61    64    71    83   0.07450  1.0 3.0
   61    64   -72    54   3.62500 -1.0 2.0
   61    64    72    75   3.62500 -1.0 2.0
   64    61    65    66   0.00000  1.0 1.0
   64    61    65    67   0.00000  1.0 1.0
   64    61    65    68   0.00000  1.0 1.0
   64    71    73    74   3.62500 -1.0 2.0
   64    71    73    78   3.62500 -1.0 2.0
   64    71    83    81   3.62500 -1.0 2.0
   64    71    83    89   3.62500 -1.0 2.0
   64    72    75    76   1.00000 -1.0 2.0
   64    72    75    77   1.00000 -1.0 2.0
   71    64    72    54   3.62500 -1.0 2.0
   71    64    72    75   3.62500 -1.0 2.0
   71    73    78    79   3.62500 -1.0 2.0
   71    73    78    80   3.62500 -1.0 2.0
   71    83    89    90   0.84100 -1.0 2.0
   73    71    83    81   3.62500 -1.0 2.0
   73    71    83    89   3.62500 -1.0 2.0
   73    78   -80    81   3.62500 -1.0 2.0
   73    78    80    82   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    80   3.62500 -1.0 2.0
   78    80    81    83   3.62500 -1.0 2.0
   78    80    81    84   3.62500 -1.0 2.0
   78    80    82    85   1.63200 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    81   -83    71   3.62500 -1.0 2.0
   80    81    83    89   3.62500 -1.0 2.0
   80    81    84    91   1.63200 -1.0 2.0
   80    82    85    86   0.08050  1.0 3.0
   80    82    85    87   0.08050  1.0 3.0
   80    82    85    88   0.08050  1.0 3.0
   81    80    82    85   1.63200 -1.0 2.0
   81    83    89    90   0.84100 -1.0 2.0
   81    84    91    92   0.08050  1.0 3.0
   81    84    91    93   0.08050  1.0 3.0
   81    84    91    94   0.08050  1.0 3.0
   83    71    73    74   3.62500 -1.0 2.0
   83    71   -73    78   3.62500 -1.0 2.0
   83    81    84    91   1.63200 -1.0 2.0
   84    81    83    71   3.62500 -1.0 2.0
   84    81    83    89   3.62500 -1.0 2.0
   82    80    81    83   3.62500 -1.0 2.0
   82    80    81    84   3.62500 -1.0 2.0
   72    54   -56    58   3.62500 -1.0 2.0
   72    64    71    73  -0.19450  1.0 1.0
   72    64    71    73   0.63300 -1.0 2.0
   72    64    71    73   0.07450  1.0 3.0
   72    64    71    83  -0.19450  1.0 1.0
   72    64    71    83   0.63300 -1.0 2.0
   72    64    71    83   0.07450  1.0 3.0
   65    61    64    71   3.62500 -1.0 2.0
   65    61    64    72   3.62500 -1.0 2.0
   62    58    61    64   3.62500 -1.0 2.0
   62    58    61    65   3.62500 -1.0 2.0
   63    62    69    70   0.92200  1.0 1.0
   63    62    69    70   3.74100 -1.0 2.0
   55    53    54    56   0.60800  1.0 1.0
   55    53    54    56   1.31550 -1.0 2.0
   55    53    54    56   1.01100  1.0 3.0
   55    53    54    72   0.04300  1.0 1.0
   55    53    54    72   0.58850 -1.0 2.0
   55    53    54    72   0.22750  1.0 3.0
   55    57    59    60  -0.01750  1.0 1.0
   55    57    59    60  -0.32000 -1.0 2.0
   55    57    59    60   0.00600  1.0 3.0
   55    57    59    39   0.11450  1.0 1.0
   55    57    59    39   1.85100 -1.0 2.0
   55    57    59    39  -0.49050  1.0 3.0
   57    41    49    50   3.62500 -1.0 2.0
   57    41   -49    51   3.62500 -1.0 2.0
   57    59   -39    33   7.00000 -1.0 2.0
   57    59    39    42   7.00000 -1.0 2.0
   59    39    42    43   1.00000 -1.0 2.0
   59    39    42    44   1.00000 -1.0 2.0
   60    59    39    33   7.00000 -1.0 2.0
   60    59    39    42   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    41   0.65300  1.0 1.0
   39    33   -37    41  -0.03850 -1.0 2.0
   39    33   -37    41   0.33900  1.0 3.0
   39    33    40    45  -0.77900  1.0 1.0
   39    33    40    45  -0.36900 -1.0 2.0
   39    33    40    45   0.40400  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    41   0.65300  1.0 1.0
   40    33    37    41  -0.03850 -1.0 2.0
   40    33    37    41   0.33900  1.0 3.0
   40    33    39    59   0.39000  1.0 1.0
   40    33    39    59  -0.05800 -1.0 2.0
   40    33    39    59  -0.55150  1.0 3.0
   40    33    39    42   0.09700  1.0 1.0
   40    33    39    42   0.15600 -1.0 2.0
   40    33    39    42  -0.50800  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
   49    57    41    37   4.00000 -1.0 2.0
   51    50    49    41   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    55    53    51   4.00000 -1.0 2.0
   56    72    54    53   4.00000 -1.0 2.0
   62    61    58    56   4.00000 -1.0 2.0
   64    65    61    58   4.00000 -1.0 2.0
   71    72    64    61   4.00000 -1.0 2.0
   73    83    71    64   4.00000 -1.0 2.0
   78    74    73    71   1.10000 -1.0 2.0
   80    79    78    73   1.10000 -1.0 2.0
   81    82    80    78   4.00000 -1.0 2.0
   83    84    81    80   4.00000 -1.0 2.0
   81    89    83    71   4.00000 -1.0 2.0
   64    75    72    54   4.00000 -1.0 2.0
   77    72    75    76   1.00000 -1.0 2.0
   58    69    62    63  10.50000 -1.0 2.0
   55    59    57    41   4.00000 -1.0 2.0
   57    60    59    39   1.10000 -1.0 2.0
   33    42    39    59   1.10000 -1.0 2.0
   44    39    42    43   1.00000 -1.0 2.0
END
