* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    166    251     476
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064    97.68405   -54.69208
    3     1 S   H    _H1_     3     1.02095    81.48808    53.19540
    4     1 S   H    _H2_     4     1.02132    35.34525  -166.30008
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.83157    97.77344   161.82038
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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  _C19    37     1.52377   110.17707   179.98022
   38    37 S   O    _O36    38     1.22687   124.03618    18.56849
   39    33 S   CT1  _C17    85     1.53588   111.48831    54.50937
   40    39 S   HC   _H3_    86     1.08077   110.80286   -67.80539
   41    33 S   OS   _O37    90     1.42757   109.35209   -65.03133
   42    37 S   CA   _C14    39     1.47937   116.59601  -164.84934
   43    39 S   NTH2 _N6_    87     1.46277   113.95998    53.80114
   44    43 S   H    _H12    88     0.99398   117.83673   -40.02141
   45    43 S   H    _H13    89     0.99520   117.82483   153.37064
   46    41 S   CT   _C20    91     1.42044   111.38735   -58.21676
   47    46 S   HC   _H9_    92     1.09248   109.51841  -179.98022
   48    46 S   HC   _H10    93     1.09331   109.56072    59.18120
   49    46 S   HC   _H11    94     1.09313   108.96842   -60.43033
   50    42 S   CA   _C13    40     1.39502   120.68039  -165.70800
   51    50 S   HA   _H8_    41     1.08638   121.37866    -2.21293
   52    50 S   CA   _C12    42     1.39134   119.56187   178.42418
   53    52 S   HA   _H7_    43     1.08476   120.09983   179.66487
   54    52 S   CA   _C11    44     1.38562   118.01578     0.01978
   55    54 S   CA   _C8_    45     1.44342   120.93340  -179.55369
   56    54 S   NB   _N5_    81     1.35080   124.02933     0.37482
   57    55 S   CA   _C7_    46     1.38592   122.27979  -120.00566
   58    42 S   CA   _C15    82     1.38635   121.37907    13.27497
   59    57 S   CA   _C6_    47     1.38992   117.93108  -179.97202
   60    57 S   NE   _N7_    78     1.41108   120.91598     0.07402
   61    60 S   H    _H14    79     0.99903   119.21527   176.84136
   62    60 S   H    _H15    80     0.99974   119.11612     3.09130
   63    58 S   CO4  _C16    83     1.47704   121.37000     3.78962
   64    63 S   O    _O35    84     1.22833   119.55992  -176.08233
   65    59 S   CA   _C21    48     1.45441   120.35987  -180.00000
   66    59 S   CA   _C5_    68     1.39055   119.73197     0.00000
   67    65 S   CA   _C22    49     1.39494   119.03455    90.02355
   68    67 S   HA   _H16    50     1.08709   120.98442     0.04423
   69    66 S   CA   _C9_    69     1.38584   117.89816    -0.01978
   70    66 S   CT   _C4_    74     1.49470   121.43945   179.96574
   71    70 S   HC   _H4_    75     1.09556   110.20148    90.00423
   72    70 S   HC   _H5_    76     1.09659   111.15905  -149.48691
   73    70 S   HC   _H6_    77     1.09707   111.09207   -30.47688
   74    67 S   CA   _C23    51     1.39506   119.95031  -179.85873
   75    74 S   HA   _H17    52     1.08641   119.60847  -179.89165
   76    55 S   NB   _N4_    70     1.35155   113.70240    60.00730
   77    69 S   CO3  _C10    71     1.47678   119.98449   179.98022
   78    77 S   O2Z  _O34    72     1.28524   118.57656   -90.01794
   79    77 S   O2Z  _O33    73     1.28523   118.57954    90.05646
   80    74 S   CA   _C24    53     1.39522   119.99527    -0.10087
   81    80 S   CA   _C25    54     1.39444   120.01897     0.10087
   82    80 S   OS   _O40    63     1.36238   119.38138  -179.87180
   83    65 S   CA   _C26    55     1.39416   120.88402   -89.90474
   84    81 S   OS   _O39    58     1.36399   119.94056   179.92338
   85    82 S   CT   _C28    64     1.42622   117.02204    -0.07913
   86    85 S   HC   _H22    65     1.09313   109.50848  -179.97202
   87    85 S   HC   _H23    66     1.09345   109.50873    59.24901
   88    85 S   HC   _H24    67     1.09252   109.04381   -60.35854
   89    83 S   OH   _O38    56     1.36518   120.66159     0.03956
   90    89 S   HO   _H18    57     0.96887   110.09082    -0.01978
   91    84 S   CT   _C27    59     1.42470   116.98399    89.94393
   92    91 S   HC   _H19    60     1.09317   109.49328  -179.95577
   93    91 S   HC   _H20    61     1.09319   109.54907    59.28046
   94    91 S   HC   _H21    62     1.09222   109.02139   -60.37686
  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
  17   2   1   1  13   5  11   7   7   9   5   2   1   3   2   1
   1   8   4   7   3   9  12   5  11   2  18   5   1   1   1   1
  13  11   8   4   8   5   2   1   1   7   3   3   2   1   1  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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    63    39    40    43    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    50    58    63    64    39    40    43    44    45    41    46    47    48    49  
   35    36  
   36  
    0  
   38    42    50    51    52    56    58    63    39    40    43    41    46  
   42    50    58    39    41  
   40    43    44    45    41    46    42    56    58    63    64  
   43    44    45    41    58    63    64  
   46    47    48    49    42    43    63  
   50    51    52    53    54    56    58    63    64  
   44    45    58    63    64  
   45    63  
   63  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    58    63  
   52    53    54    58  
   53    54    55    57    76    56    58  
   54    55    56  
   55    57    59    69    76    60    56    58    63  
   57    59    65    66    69    76    77    60    61    62    56    58  
   58    63    64    57    76  
   59    65    67    83    66    69    76    70    60    61    62  
   63    64  
   65    67    68    74    81    83    89    66    69    76    77    70    71    72    73    60    61    62  
   61    62    65    66    76  
   62  
    0  
   64  
    0  
   67    68    74    75    80    81    83    89    90    84    66    69    70  
   69    76    77    78    79    70    71    72    73    67    83  
   68    74    75    80    81    83    89    82  
   74    75    80    83  
   76    77    78    79    70    71    72    73  
   71    72    73    76    77  
   72    73  
   73  
    0  
   75    80    81    83    84    82    85  
   80    81    82  
   77    78    79  
   78    79  
   79  
    0  
   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   0.396900   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   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5500   0.0700  -0.407000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.5500   0.0700  -0.092000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.292000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   77   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    50   469.000  1.400
   42    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   375.000  1.464
   54    56   483.000  1.339
   55    57   469.000  1.400
   55    76   483.000  1.339
   57    59   469.000  1.400
   57    60   481.000  1.340
   59    65   375.000  1.464
   59    66   469.000  1.400
   65    67   469.000  1.400
   65    83   469.000  1.400
   67    68   367.000  1.080
   67    74   469.000  1.400
   74    75   367.000  1.080
   74    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
   66    69   469.000  1.400
   66    70   317.000  1.510
   69    76   483.000  1.339
   69    77   400.000  1.490
   77    78   656.000  1.250
   77    79   656.000  1.250
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    61   434.000  1.010
   60    62   434.000  1.010
   56    58   483.000  1.339
   58    63   310.000  1.470
   63    64   570.000  1.229
   63    39   255.000  1.522
   39    40   340.000  1.090
   39    43   300.000  1.468
   43    44   495.000  1.019
   43    45   495.000  1.019
   41    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  108.68000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    39    63    70.00000  110.61500
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  112.76400
   33    41    46    60.00000  109.50000
   37    42    50    60.00000  119.52600
   37    42    58    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    50    51    35.00000  120.00000
   42    50    52    63.00000  120.00000
   42    58    56    70.00000  124.00000
   42    58    63    60.00000  119.52600
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    60.00000  122.76000
   52    54    56    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    57    60.00000  122.76000
   54    55    76    70.00000  116.69200
   54    56    58    70.00000  117.00000
   55    57    59    63.00000  120.00000
   55    57    60    70.00000  120.10000
   55    76    69    70.00000  117.00000
   57    59    65    60.00000  122.76000
   57    59    66    63.00000  120.00000
   57    60    61    35.00000  113.50000
   57    60    62    35.00000  113.50000
   59    65    67    60.00000  122.76000
   59    65    83    60.00000  122.76000
   59    66    69    63.00000  120.00000
   59    66    70    70.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    74    63.00000  120.00000
   65    83    81    63.00000  120.00000
   65    83    89    70.00000  120.00000
   67    74    75    35.00000  120.00000
   67    74    80    63.00000  120.00000
   74    67    68    35.00000  120.00000
   74    80    81    63.00000  120.00000
   74    80    82    70.00000  120.00000
   80    74    75    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    65    67    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
   66    59    65    60.00000  122.76000
   66    69    76    70.00000  124.00000
   66    69    77    85.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   69    77    78    80.00000  120.40000
   69    77    79    80.00000  120.40000
   76    55    57    70.00000  124.00000
   77    69    76    75.00000  117.56100
   79    77    78    80.00000  126.00000
   70    66    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   60    57    59    70.00000  120.10000
   62    60    61    35.00000  109.00000
   56    54    55    70.00000  116.69200
   56    58    63    75.00000  117.56100
   58    42    50    63.00000  120.00000
   58    63    64    75.00000  123.78400
   58    63    39    60.00000  117.08000
   63    39    40    45.00000  110.09800
   63    39    43    75.00000  112.91400
   39    33    37    63.00000  111.10000
   39    63    64    75.00000  123.42600
   39    43    44    50.00000  110.30900
   39    43    45    50.00000  110.30900
   43    39    40    50.00000  110.79000
   45    43    44    40.00000  106.77200
   41    33    37    90.00000  108.74100
   41    33    39    50.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    39    63  -2.17200  1.0 1.0
   29    33    39    63  -0.85700 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    41    46   0.14700  1.0 1.0
   29    33    41    46  -1.16150 -1.0 2.0
   29    33    41    46   0.48700  1.0 3.0
   33    37    42    50   2.26350  1.0 1.0
   33    37    42    50   0.76750 -1.0 2.0
   33    37    42    50   0.22500  1.0 3.0
   33    37    42    58   2.26350  1.0 1.0
   33    37    42    58   0.76750 -1.0 2.0
   33    37    42    58   0.22500  1.0 3.0
   33    39    43    44   0.21650  1.0 1.0
   33    39    43    44   0.26250 -1.0 2.0
   33    39    43    44   0.12450  1.0 3.0
   33    39    43    45   0.21650  1.0 1.0
   33    39    43    45   0.26250 -1.0 2.0
   33    39    43    45   0.12450  1.0 3.0
   33    41    46    47   0.37050  1.0 3.0
   33    41    46    48   0.37050  1.0 3.0
   33    41    46    49   0.37050  1.0 3.0
   37    33    39    63  -0.84850  1.0 1.0
   37    33    39    63  -0.22800 -1.0 2.0
   37    33    39    63   0.29250  1.0 3.0
   37    33    39    40  -0.03800  1.0 3.0
   37    33    39    43  -3.56550  1.0 1.0
   37    33    39    43  -0.67500 -1.0 2.0
   37    33    39    43   1.11300  1.0 3.0
   37    33    41    46  -1.11000  1.0 1.0
   37    33    41    46   0.50250 -1.0 2.0
   37    33    41    46   0.47450  1.0 3.0
   37    42    50    51   3.62500 -1.0 2.0
   37    42    50    52   3.62500 -1.0 2.0
   37    42    58    56   3.62500 -1.0 2.0
   37    42   -58    63   3.62500 -1.0 2.0
   38    37    42    50   1.05000 -1.0 2.0
   38    37    42    58   1.05000 -1.0 2.0
   42    50    52    53   3.62500 -1.0 2.0
   42    50    52    54   3.62500 -1.0 2.0
   42    58    63    64   1.05000 -1.0 2.0
   42    58    63    39   2.26350  1.0 1.0
   42    58    63    39   0.76750 -1.0 2.0
   42    58    63    39   0.22500  1.0 3.0
   50    42    58    56   3.62500 -1.0 2.0
   50    42    58    63   3.62500 -1.0 2.0
   50    52    54    55   3.62500 -1.0 2.0
   50    52   -54    56   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    57  -0.19450  1.0 1.0
   52    54    55    57   0.63300 -1.0 2.0
   52    54    55    57   0.07450  1.0 3.0
   52    54    55    76   0.04300  1.0 1.0
   52    54    55    76   0.58850 -1.0 2.0
   52    54    55    76   0.22750  1.0 3.0
   52    54    56    58   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    55    57    59   3.62500 -1.0 2.0
   54    55    57    60   3.62500 -1.0 2.0
   54    55    76    69   3.62500 -1.0 2.0
   54    56   -58    42   3.62500 -1.0 2.0
   54    56    58    63   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   55    57    59    65   3.62500 -1.0 2.0
   55    57    59    66   3.62500 -1.0 2.0
   55    57    60    61   1.00000 -1.0 2.0
   55    57    60    62   1.00000 -1.0 2.0
   57    55    76    69   3.62500 -1.0 2.0
   57    59    65    67  -0.19450  1.0 1.0
   57    59    65    67   0.63300 -1.0 2.0
   57    59    65    67   0.07450  1.0 3.0
   57    59    65    83  -0.19450  1.0 1.0
   57    59    65    83   0.63300 -1.0 2.0
   57    59    65    83   0.07450  1.0 3.0
   57    59   -66    69   3.62500 -1.0 2.0
   57    59    66    70   3.62500 -1.0 2.0
   59    57    60    61   1.00000 -1.0 2.0
   59    57    60    62   1.00000 -1.0 2.0
   59    65    67    68   3.62500 -1.0 2.0
   59    65    67    74   3.62500 -1.0 2.0
   59    65    83    81   3.62500 -1.0 2.0
   59    65    83    89   3.62500 -1.0 2.0
   59    66    69    76   3.62500 -1.0 2.0
   59    66    69    77   3.62500 -1.0 2.0
   59    66    70    71   0.00000  1.0 1.0
   59    66    70    72   0.00000  1.0 1.0
   59    66    70    73   0.00000  1.0 1.0
   65    59    66    69   3.62500 -1.0 2.0
   65    59    66    70   3.62500 -1.0 2.0
   65    67    74    75   3.62500 -1.0 2.0
   65    67    74    80   3.62500 -1.0 2.0
   65    83    89    90   0.84100 -1.0 2.0
   67    65    83    81   3.62500 -1.0 2.0
   67    65    83    89   3.62500 -1.0 2.0
   67    74   -80    81   3.62500 -1.0 2.0
   67    74    80    82   3.62500 -1.0 2.0
   68    67    74    75   3.62500 -1.0 2.0
   68    67    74    80   3.62500 -1.0 2.0
   74    80    81    83   3.62500 -1.0 2.0
   74    80    81    84   3.62500 -1.0 2.0
   74    80    82    85   1.63200 -1.0 2.0
   75    74    80    81   3.62500 -1.0 2.0
   75    74    80    82   3.62500 -1.0 2.0
   80    81   -83    65   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    65    67    68   3.62500 -1.0 2.0
   83    65   -67    74   3.62500 -1.0 2.0
   83    81    84    91   1.63200 -1.0 2.0
   84    81    83    65   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
   66    59    65    67  -0.19450  1.0 1.0
   66    59    65    67   0.63300 -1.0 2.0
   66    59    65    67   0.07450  1.0 3.0
   66    59    65    83  -0.19450  1.0 1.0
   66    59    65    83   0.63300 -1.0 2.0
   66    59    65    83   0.07450  1.0 3.0
   66    69   -76    55   3.62500 -1.0 2.0
   66    69    77    78   1.05000 -1.0 2.0
   66    69    77    79   1.05000 -1.0 2.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    73   0.00000  1.0 1.0
   76    55   -57    59   3.62500 -1.0 2.0
   76    55    57    60   3.62500 -1.0 2.0
   76    69    77    78   1.05000 -1.0 2.0
   76    69    77    79   1.05000 -1.0 2.0
   77    69    76    55   3.62500 -1.0 2.0
   70    66    69    76   3.62500 -1.0 2.0
   70    66    69    77   3.62500 -1.0 2.0
   60    57    59    65   3.62500 -1.0 2.0
   60    57    59    66   3.62500 -1.0 2.0
   56    54    55    57   0.04300  1.0 1.0
   56    54    55    57   0.58850 -1.0 2.0
   56    54    55    57   0.22750  1.0 3.0
   56    54    55    76   0.60800  1.0 1.0
   56    54    55    76   1.31550 -1.0 2.0
   56    54    55    76   1.01100  1.0 3.0
   56    58    63    64   1.05000 -1.0 2.0
   56    58    63    39   0.56600 -1.0 2.0
   58    42    50    51   3.62500 -1.0 2.0
   58    42   -50    52   3.62500 -1.0 2.0
   58    63   -39    33   0.05850 -1.0 2.0
   58    63   -39    33   0.17250  1.0 3.0
   58    63    39    40   0.00000  1.0 1.0
   58    63    39    43   0.65300  1.0 1.0
   58    63    39    43  -0.03850 -1.0 2.0
   58    63    39    43   0.33900  1.0 3.0
   63    39    43    44   0.21900  1.0 1.0
   63    39    43    44  -0.24900 -1.0 2.0
   63    39    43    44   0.15200  1.0 3.0
   63    39    43    45   0.21900  1.0 1.0
   63    39    43    45  -0.24900 -1.0 2.0
   63    39    43    45   0.15200  1.0 3.0
   64    63    39    33   0.00000  1.0 1.0
   64    63    39    40   0.00000  1.0 1.0
   64    63    39    43   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    42   0.05850 -1.0 2.0
   39    33   -37    42   0.17250  1.0 3.0
   39    33    41    46   0.06250  1.0 1.0
   39    33    41    46  -0.01100 -1.0 2.0
   39    33    41    46   0.28050  1.0 3.0
   40    39    43    44   0.20000  1.0 3.0
   40    39    43    45   0.20000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    42   0.65300  1.0 1.0
   41    33    37    42  -0.03850 -1.0 2.0
   41    33    37    42   0.33900  1.0 3.0
   41    33    39    63  -0.09450  1.0 1.0
   41    33    39    63  -1.12950 -1.0 2.0
   41    33    39    63   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    43   3.18800  1.0 1.0
   41    33    39    43  -1.12350 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   50    58    42    37   4.00000 -1.0 2.0
   52    51    50    42   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    56    54    52   4.00000 -1.0 2.0
   57    76    55    54   4.00000 -1.0 2.0
   59    60    57    55   4.00000 -1.0 2.0
   65    66    59    57   4.00000 -1.0 2.0
   67    83    65    59   4.00000 -1.0 2.0
   74    68    67    65   1.10000 -1.0 2.0
   80    75    74    67   1.10000 -1.0 2.0
   81    82    80    74   4.00000 -1.0 2.0
   83    84    81    80   4.00000 -1.0 2.0
   81    89    83    65   4.00000 -1.0 2.0
   69    70    66    59   4.00000 -1.0 2.0
   77    76    69    66   4.00000 -1.0 2.0
   78    69    77    79  10.50000 -1.0 2.0
   62    57    60    61   1.00000 -1.0 2.0
   56    63    58    42   4.00000 -1.0 2.0
   58    39    63    64  10.50000 -1.0 2.0
END
